mirror of https://gitlab.com/QEF/q-e.git
10509 lines
499 KiB
Plaintext
10509 lines
499 KiB
Plaintext
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Program PWSCF v.5.1.2 starts on 15Nov2015 at 13:56:39
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This program is part of the open-source Quantum ESPRESSO suite
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for quantum simulation of materials; please cite
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"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
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URL http://www.quantum-espresso.org",
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in publications or presentations arising from this work. More details at
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http://www.quantum-espresso.org/quote
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Parallel version (MPI), running on 32 processors
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K-points division: npool = 8
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R & G space division: proc/nbgrp/npool/nimage = 4
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Waiting for input...
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Reading input from standard input
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Warning: card &IONS ignored
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Warning: card / ignored
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Warning: card &CELL ignored
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Warning: card PRESS = 0.0 ignored
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Warning: card / ignored
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Message from routine read_cards :
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DEPRECATED: no units specified in ATOMIC_POSITIONS card
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Message from routine read_cards :
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ATOMIC_POSITIONS: units set to alat
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Current dimensions of program PWSCF are:
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Max number of different atomic species (ntypx) = 10
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Max number of k-points (npk) = 40000
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Max angular momentum in pseudopotentials (lmaxx) = 3
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file Ga.pbe-dn-kjpaw_psl.0.2.upf: wavefunction(s) 4S 3D renormalized
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Subspace diagonalization in iterative solution of the eigenvalue problem:
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a serial algorithm will be used
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Parallelization info
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--------------------
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sticks: dense smooth PW G-vecs: dense smooth PW
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Min 586 192 63 18861 3584 641
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Max 587 193 64 18866 3599 642
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Sum 2347 769 253 75457 14361 2565
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bravais-lattice index = 2
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lattice parameter (alat) = 10.6867 a.u.
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unit-cell volume = 305.1201 (a.u.)^3
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number of atoms/cell = 2
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number of atomic types = 2
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number of electrons = 18.00
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number of Kohn-Sham states= 16
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kinetic-energy cutoff = 50.0000 Ry
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charge density cutoff = 600.0000 Ry
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convergence threshold = 1.0E-08
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mixing beta = 0.3000
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number of iterations used = 8 plain mixing
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Exchange-correlation = SLA PW PBX PBC ( 1 4 3 4 0 0)
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celldm(1)= 10.686700 celldm(2)= 0.000000 celldm(3)= 0.000000
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celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000
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crystal axes: (cart. coord. in units of alat)
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a(1) = ( -0.500000 0.000000 0.500000 )
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a(2) = ( 0.000000 0.500000 0.500000 )
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a(3) = ( -0.500000 0.500000 0.000000 )
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reciprocal axes: (cart. coord. in units 2 pi/alat)
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b(1) = ( -1.000000 -1.000000 1.000000 )
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b(2) = ( 1.000000 1.000000 1.000000 )
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b(3) = ( -1.000000 1.000000 -1.000000 )
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PseudoPot. # 1 for Ga read from file:
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./Ga.pbe-dn-kjpaw_psl.0.2.upf
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MD5 check sum: f703b3f64ba021741ea9c16c693bf590
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Pseudo is Projector augmented-wave + core cor, Zval = 13.0
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Generated using "atomic" code by A. Dal Corso v.5.0.99 svn rev. 10869
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Shape of augmentation charge: BESSEL
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Using radial grid of 1205 points, 6 beta functions with:
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l(1) = 0
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l(2) = 0
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l(3) = 1
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l(4) = 1
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l(5) = 2
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l(6) = 2
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Q(r) pseudized with 0 coefficients
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PseudoPot. # 2 for As read from file:
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./As.pbe-n-kjpaw_psl.0.2.upf
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MD5 check sum: 076d91deeb42e24e5cc35739acc2a16c
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Pseudo is Projector augmented-wave + core cor, Zval = 5.0
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Generated using "atomic" code by A. Dal Corso v.5.0.99 svn rev. 10869
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Shape of augmentation charge: PSQ
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Using radial grid of 1209 points, 4 beta functions with:
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l(1) = 0
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l(2) = 0
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l(3) = 1
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l(4) = 1
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Q(r) pseudized with 0 coefficients
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atomic species valence mass pseudopotential
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Ga 13.00 69.72300 Ga( 1.00)
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As 5.00 74.92159 As( 1.00)
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24 Sym. Ops. (no inversion) found
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s frac. trans.
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isym = 1 identity
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cryst. s( 1) = ( 1 0 0 )
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( 0 1 0 )
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( 0 0 1 )
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cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
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( 0.0000000 1.0000000 0.0000000 )
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( 0.0000000 0.0000000 1.0000000 )
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isym = 2 180 deg rotation - cart. axis [0,0,1]
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cryst. s( 2) = ( 0 1 -1 )
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( 1 0 -1 )
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( 0 0 -1 )
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cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 )
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( 0.0000000 -1.0000000 0.0000000 )
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( 0.0000000 0.0000000 1.0000000 )
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isym = 3 180 deg rotation - cart. axis [0,1,0]
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cryst. s( 3) = ( -1 0 0 )
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( -1 0 1 )
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( -1 1 0 )
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cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 )
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( 0.0000000 1.0000000 0.0000000 )
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( 0.0000000 0.0000000 -1.0000000 )
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isym = 4 180 deg rotation - cart. axis [1,0,0]
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cryst. s( 4) = ( 0 -1 1 )
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( 0 -1 0 )
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( 1 -1 0 )
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cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 )
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( 0.0000000 -1.0000000 0.0000000 )
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( 0.0000000 0.0000000 -1.0000000 )
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isym = 5 120 deg rotation - cart. axis [-1,-1,-1]
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cryst. s( 5) = ( -1 0 1 )
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( -1 1 0 )
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( -1 0 0 )
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cart. s( 5) = ( 0.0000000 1.0000000 0.0000000 )
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( 0.0000000 0.0000000 1.0000000 )
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( 1.0000000 0.0000000 0.0000000 )
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isym = 6 120 deg rotation - cart. axis [-1,1,1]
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cryst. s( 6) = ( 0 1 0 )
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( 0 0 1 )
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( 1 0 0 )
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cart. s( 6) = ( 0.0000000 -1.0000000 0.0000000 )
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( 0.0000000 0.0000000 1.0000000 )
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( -1.0000000 0.0000000 0.0000000 )
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isym = 7 120 deg rotation - cart. axis [1,1,-1]
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cryst. s( 7) = ( 1 0 -1 )
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( 0 0 -1 )
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( 0 1 -1 )
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cart. s( 7) = ( 0.0000000 1.0000000 0.0000000 )
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( 0.0000000 0.0000000 -1.0000000 )
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( -1.0000000 0.0000000 0.0000000 )
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isym = 8 120 deg rotation - cart. axis [1,-1,1]
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cryst. s( 8) = ( 0 -1 0 )
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( 1 -1 0 )
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( 0 -1 1 )
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cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 )
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( 0.0000000 0.0000000 -1.0000000 )
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( 1.0000000 0.0000000 0.0000000 )
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isym = 9 120 deg rotation - cart. axis [1,1,1]
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cryst. s( 9) = ( 0 0 -1 )
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( 0 1 -1 )
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( 1 0 -1 )
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cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 )
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( 1.0000000 0.0000000 0.0000000 )
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( 0.0000000 1.0000000 0.0000000 )
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isym = 10 120 deg rotation - cart. axis [-1,1,-1]
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cryst. s(10) = ( -1 1 0 )
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( -1 0 0 )
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( -1 0 1 )
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cart. s(10) = ( 0.0000000 0.0000000 1.0000000 )
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( -1.0000000 0.0000000 0.0000000 )
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( 0.0000000 -1.0000000 0.0000000 )
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isym = 11 120 deg rotation - cart. axis [1,-1,-1]
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cryst. s(11) = ( 0 0 1 )
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( 1 0 0 )
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( 0 1 0 )
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cart. s(11) = ( 0.0000000 0.0000000 -1.0000000 )
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( -1.0000000 0.0000000 0.0000000 )
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( 0.0000000 1.0000000 0.0000000 )
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isym = 12 120 deg rotation - cart. axis [-1,-1,1]
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cryst. s(12) = ( 1 -1 0 )
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( 0 -1 1 )
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( 0 -1 0 )
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cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 )
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( 1.0000000 0.0000000 0.0000000 )
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( 0.0000000 -1.0000000 0.0000000 )
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isym = 13 inv. 180 deg rotation - cart. axis [1,1,0]
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cryst. s(13) = ( 0 1 0 )
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( 1 0 0 )
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( 0 0 1 )
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cart. s(13) = ( 0.0000000 -1.0000000 0.0000000 )
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( -1.0000000 0.0000000 0.0000000 )
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( 0.0000000 0.0000000 1.0000000 )
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isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0]
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cryst. s(14) = ( 1 0 -1 )
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( 0 1 -1 )
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( 0 0 -1 )
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cart. s(14) = ( 0.0000000 1.0000000 0.0000000 )
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( 1.0000000 0.0000000 0.0000000 )
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( 0.0000000 0.0000000 1.0000000 )
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isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1]
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cryst. s(15) = ( 0 -1 0 )
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( 0 -1 1 )
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( 1 -1 0 )
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cart. s(15) = ( 0.0000000 -1.0000000 0.0000000 )
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( 1.0000000 0.0000000 0.0000000 )
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( 0.0000000 0.0000000 -1.0000000 )
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isym = 16 inv. 90 deg rotation - cart. axis [0,0,1]
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cryst. s(16) = ( -1 0 1 )
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( -1 0 0 )
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( -1 1 0 )
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cart. s(16) = ( 0.0000000 1.0000000 0.0000000 )
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( -1.0000000 0.0000000 0.0000000 )
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( 0.0000000 0.0000000 -1.0000000 )
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isym = 17 inv. 180 deg rotation - cart. axis [1,0,1]
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cryst. s(17) = ( 1 0 0 )
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( 0 0 1 )
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( 0 1 0 )
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cart. s(17) = ( 0.0000000 0.0000000 -1.0000000 )
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( 0.0000000 1.0000000 0.0000000 )
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( -1.0000000 0.0000000 0.0000000 )
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isym = 18 inv. 180 deg rotation - cart. axis [-1,0,1]
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cryst. s(18) = ( -1 0 0 )
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( -1 1 0 )
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( -1 0 1 )
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cart. s(18) = ( 0.0000000 0.0000000 1.0000000 )
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( 0.0000000 1.0000000 0.0000000 )
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( 1.0000000 0.0000000 0.0000000 )
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isym = 19 inv. 90 deg rotation - cart. axis [0,1,0]
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cryst. s(19) = ( 0 -1 1 )
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( 1 -1 0 )
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( 0 -1 0 )
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cart. s(19) = ( 0.0000000 0.0000000 -1.0000000 )
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( 0.0000000 -1.0000000 0.0000000 )
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( 1.0000000 0.0000000 0.0000000 )
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isym = 20 inv. 90 deg rotation - cart. axis [0,-1,0]
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cryst. s(20) = ( 0 1 -1 )
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( 0 0 -1 )
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( 1 0 -1 )
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cart. s(20) = ( 0.0000000 0.0000000 1.0000000 )
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( 0.0000000 -1.0000000 0.0000000 )
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( -1.0000000 0.0000000 0.0000000 )
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isym = 21 inv. 180 deg rotation - cart. axis [0,1,1]
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cryst. s(21) = ( 1 -1 0 )
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( 0 -1 0 )
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( 0 -1 1 )
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cart. s(21) = ( 1.0000000 0.0000000 0.0000000 )
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( 0.0000000 0.0000000 -1.0000000 )
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( 0.0000000 -1.0000000 0.0000000 )
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isym = 22 inv. 180 deg rotation - cart. axis [0,1,-1]
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cryst. s(22) = ( 0 0 1 )
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( 0 1 0 )
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( 1 0 0 )
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cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
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( 0.0000000 0.0000000 1.0000000 )
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( 0.0000000 1.0000000 0.0000000 )
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isym = 23 inv. 90 deg rotation - cart. axis [-1,0,0]
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cryst. s(23) = ( 0 0 -1 )
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( 1 0 -1 )
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( 0 1 -1 )
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cart. s(23) = ( -1.0000000 0.0000000 0.0000000 )
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( 0.0000000 0.0000000 -1.0000000 )
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( 0.0000000 1.0000000 0.0000000 )
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isym = 24 inv. 90 deg rotation - cart. axis [1,0,0]
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cryst. s(24) = ( -1 1 0 )
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( -1 0 1 )
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( -1 0 0 )
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cart. s(24) = ( -1.0000000 0.0000000 0.0000000 )
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( 0.0000000 0.0000000 1.0000000 )
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( 0.0000000 -1.0000000 0.0000000 )
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point group T_d (-43m)
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there are 5 classes
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the character table:
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E 8C3 3C2 6S4 6s_d
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A_1 1.00 1.00 1.00 1.00 1.00
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A_2 1.00 1.00 1.00 -1.00 -1.00
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E 2.00 -1.00 2.00 0.00 0.00
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T_1 3.00 0.00 -1.00 1.00 -1.00
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T_2 3.00 0.00 -1.00 -1.00 1.00
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the symmetry operations in each class and the name of the first element:
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E 1
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8C3 5 7 8 6 12 9 10 11
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3C2 2 3 4
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6S4 15 16 20 19 23 24
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6s_d 13 14 17 18 21 22
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Cartesian axes
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site n. atom positions (alat units)
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1 Ga tau( 1) = ( 0.0000000 0.0000000 0.0000000 )
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2 As tau( 2) = ( 0.2500000 0.2500000 0.2500000 )
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Crystallographic axes
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site n. atom positions (cryst. coord.)
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1 Ga tau( 1) = ( 0.0000000 0.0000000 0.0000000 )
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2 As tau( 2) = ( -0.2500000 0.7500000 -0.2500000 )
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number of k points= 897
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cart. coord. in units 2pi/alat
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k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0000610
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k( 2) = ( -0.0312500 0.0312500 -0.0312500), wk = 0.0004883
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k( 3) = ( -0.0625000 0.0625000 -0.0625000), wk = 0.0004883
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k( 4) = ( -0.0937500 0.0937500 -0.0937500), wk = 0.0004883
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k( 5) = ( -0.1250000 0.1250000 -0.1250000), wk = 0.0004883
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k( 6) = ( -0.1562500 0.1562500 -0.1562500), wk = 0.0004883
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k( 7) = ( -0.1875000 0.1875000 -0.1875000), wk = 0.0004883
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k( 8) = ( -0.2187500 0.2187500 -0.2187500), wk = 0.0004883
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k( 9) = ( -0.2500000 0.2500000 -0.2500000), wk = 0.0004883
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k( 10) = ( -0.2812500 0.2812500 -0.2812500), wk = 0.0004883
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k( 11) = ( -0.3125000 0.3125000 -0.3125000), wk = 0.0004883
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k( 12) = ( -0.3437500 0.3437500 -0.3437500), wk = 0.0004883
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k( 13) = ( -0.3750000 0.3750000 -0.3750000), wk = 0.0004883
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k( 14) = ( -0.4062500 0.4062500 -0.4062500), wk = 0.0004883
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k( 15) = ( -0.4375000 0.4375000 -0.4375000), wk = 0.0004883
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k( 16) = ( -0.4687500 0.4687500 -0.4687500), wk = 0.0004883
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k( 17) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0002441
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k( 18) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0003662
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k( 19) = ( -0.0312500 0.0937500 -0.0312500), wk = 0.0014648
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k( 20) = ( -0.0625000 0.1250000 -0.0625000), wk = 0.0014648
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k( 21) = ( -0.0937500 0.1562500 -0.0937500), wk = 0.0014648
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k( 22) = ( -0.1250000 0.1875000 -0.1250000), wk = 0.0014648
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k( 23) = ( -0.1562500 0.2187500 -0.1562500), wk = 0.0014648
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k( 24) = ( -0.1875000 0.2500000 -0.1875000), wk = 0.0014648
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k( 25) = ( -0.2187500 0.2812500 -0.2187500), wk = 0.0014648
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k( 26) = ( -0.2500000 0.3125000 -0.2500000), wk = 0.0014648
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k( 27) = ( -0.2812500 0.3437500 -0.2812500), wk = 0.0014648
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k( 28) = ( -0.3125000 0.3750000 -0.3125000), wk = 0.0014648
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k( 29) = ( -0.3437500 0.4062500 -0.3437500), wk = 0.0014648
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k( 30) = ( -0.3750000 0.4375000 -0.3750000), wk = 0.0014648
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k( 31) = ( -0.4062500 0.4687500 -0.4062500), wk = 0.0014648
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k( 32) = ( -0.4375000 0.5000000 -0.4375000), wk = 0.0014648
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k( 33) = ( 0.5312500 -0.4687500 0.5312500), wk = 0.0014648
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k( 34) = ( 0.5000000 -0.4375000 0.5000000), wk = 0.0014648
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k( 35) = ( 0.4687500 -0.4062500 0.4687500), wk = 0.0014648
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k( 36) = ( 0.4375000 -0.3750000 0.4375000), wk = 0.0014648
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k( 37) = ( 0.4062500 -0.3437500 0.4062500), wk = 0.0014648
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k( 38) = ( 0.3750000 -0.3125000 0.3750000), wk = 0.0014648
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k( 39) = ( 0.3437500 -0.2812500 0.3437500), wk = 0.0014648
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k( 40) = ( 0.3125000 -0.2500000 0.3125000), wk = 0.0014648
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k( 41) = ( 0.2812500 -0.2187500 0.2812500), wk = 0.0014648
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k( 42) = ( 0.2500000 -0.1875000 0.2500000), wk = 0.0014648
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k( 43) = ( 0.2187500 -0.1562500 0.2187500), wk = 0.0014648
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k( 44) = ( 0.1875000 -0.1250000 0.1875000), wk = 0.0014648
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k( 45) = ( 0.1562500 -0.0937500 0.1562500), wk = 0.0014648
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k( 46) = ( 0.1250000 -0.0625000 0.1250000), wk = 0.0014648
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k( 47) = ( 0.0937500 -0.0312500 0.0937500), wk = 0.0014648
|
|
k( 48) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0007324
|
|
k( 49) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0003662
|
|
k( 50) = ( -0.0312500 0.1562500 -0.0312500), wk = 0.0014648
|
|
k( 51) = ( -0.0625000 0.1875000 -0.0625000), wk = 0.0014648
|
|
k( 52) = ( -0.0937500 0.2187500 -0.0937500), wk = 0.0014648
|
|
k( 53) = ( -0.1250000 0.2500000 -0.1250000), wk = 0.0014648
|
|
k( 54) = ( -0.1562500 0.2812500 -0.1562500), wk = 0.0014648
|
|
k( 55) = ( -0.1875000 0.3125000 -0.1875000), wk = 0.0014648
|
|
k( 56) = ( -0.2187500 0.3437500 -0.2187500), wk = 0.0014648
|
|
k( 57) = ( -0.2500000 0.3750000 -0.2500000), wk = 0.0014648
|
|
k( 58) = ( -0.2812500 0.4062500 -0.2812500), wk = 0.0014648
|
|
k( 59) = ( -0.3125000 0.4375000 -0.3125000), wk = 0.0014648
|
|
k( 60) = ( -0.3437500 0.4687500 -0.3437500), wk = 0.0014648
|
|
k( 61) = ( -0.3750000 0.5000000 -0.3750000), wk = 0.0014648
|
|
k( 62) = ( -0.4062500 0.5312500 -0.4062500), wk = 0.0014648
|
|
k( 63) = ( 0.5625000 -0.4375000 0.5625000), wk = 0.0014648
|
|
k( 64) = ( 0.5312500 -0.4062500 0.5312500), wk = 0.0014648
|
|
k( 65) = ( 0.5000000 -0.3750000 0.5000000), wk = 0.0014648
|
|
k( 66) = ( 0.4687500 -0.3437500 0.4687500), wk = 0.0014648
|
|
k( 67) = ( 0.4375000 -0.3125000 0.4375000), wk = 0.0014648
|
|
k( 68) = ( 0.4062500 -0.2812500 0.4062500), wk = 0.0014648
|
|
k( 69) = ( 0.3750000 -0.2500000 0.3750000), wk = 0.0014648
|
|
k( 70) = ( 0.3437500 -0.2187500 0.3437500), wk = 0.0014648
|
|
k( 71) = ( 0.3125000 -0.1875000 0.3125000), wk = 0.0014648
|
|
k( 72) = ( 0.2812500 -0.1562500 0.2812500), wk = 0.0014648
|
|
k( 73) = ( 0.2500000 -0.1250000 0.2500000), wk = 0.0014648
|
|
k( 74) = ( 0.2187500 -0.0937500 0.2187500), wk = 0.0014648
|
|
k( 75) = ( 0.1875000 -0.0625000 0.1875000), wk = 0.0014648
|
|
k( 76) = ( 0.1562500 -0.0312500 0.1562500), wk = 0.0014648
|
|
k( 77) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0007324
|
|
k( 78) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0003662
|
|
k( 79) = ( -0.0312500 0.2187500 -0.0312500), wk = 0.0014648
|
|
k( 80) = ( -0.0625000 0.2500000 -0.0625000), wk = 0.0014648
|
|
k( 81) = ( -0.0937500 0.2812500 -0.0937500), wk = 0.0014648
|
|
k( 82) = ( -0.1250000 0.3125000 -0.1250000), wk = 0.0014648
|
|
k( 83) = ( -0.1562500 0.3437500 -0.1562500), wk = 0.0014648
|
|
k( 84) = ( -0.1875000 0.3750000 -0.1875000), wk = 0.0014648
|
|
k( 85) = ( -0.2187500 0.4062500 -0.2187500), wk = 0.0014648
|
|
k( 86) = ( -0.2500000 0.4375000 -0.2500000), wk = 0.0014648
|
|
k( 87) = ( -0.2812500 0.4687500 -0.2812500), wk = 0.0014648
|
|
k( 88) = ( -0.3125000 0.5000000 -0.3125000), wk = 0.0014648
|
|
k( 89) = ( -0.3437500 0.5312500 -0.3437500), wk = 0.0014648
|
|
k( 90) = ( -0.3750000 0.5625000 -0.3750000), wk = 0.0014648
|
|
k( 91) = ( 0.5937500 -0.4062500 0.5937500), wk = 0.0014648
|
|
k( 92) = ( 0.5625000 -0.3750000 0.5625000), wk = 0.0014648
|
|
k( 93) = ( 0.5312500 -0.3437500 0.5312500), wk = 0.0014648
|
|
k( 94) = ( 0.5000000 -0.3125000 0.5000000), wk = 0.0014648
|
|
k( 95) = ( 0.4687500 -0.2812500 0.4687500), wk = 0.0014648
|
|
k( 96) = ( 0.4375000 -0.2500000 0.4375000), wk = 0.0014648
|
|
k( 97) = ( 0.4062500 -0.2187500 0.4062500), wk = 0.0014648
|
|
k( 98) = ( 0.3750000 -0.1875000 0.3750000), wk = 0.0014648
|
|
k( 99) = ( 0.3437500 -0.1562500 0.3437500), wk = 0.0014648
|
|
k( 100) = ( 0.3125000 -0.1250000 0.3125000), wk = 0.0014648
|
|
k( 101) = ( 0.2812500 -0.0937500 0.2812500), wk = 0.0014648
|
|
k( 102) = ( 0.2500000 -0.0625000 0.2500000), wk = 0.0014648
|
|
k( 103) = ( 0.2187500 -0.0312500 0.2187500), wk = 0.0014648
|
|
k( 104) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0007324
|
|
k( 105) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0003662
|
|
k( 106) = ( -0.0312500 0.2812500 -0.0312500), wk = 0.0014648
|
|
k( 107) = ( -0.0625000 0.3125000 -0.0625000), wk = 0.0014648
|
|
k( 108) = ( -0.0937500 0.3437500 -0.0937500), wk = 0.0014648
|
|
k( 109) = ( -0.1250000 0.3750000 -0.1250000), wk = 0.0014648
|
|
k( 110) = ( -0.1562500 0.4062500 -0.1562500), wk = 0.0014648
|
|
k( 111) = ( -0.1875000 0.4375000 -0.1875000), wk = 0.0014648
|
|
k( 112) = ( -0.2187500 0.4687500 -0.2187500), wk = 0.0014648
|
|
k( 113) = ( -0.2500000 0.5000000 -0.2500000), wk = 0.0014648
|
|
k( 114) = ( -0.2812500 0.5312500 -0.2812500), wk = 0.0014648
|
|
k( 115) = ( -0.3125000 0.5625000 -0.3125000), wk = 0.0014648
|
|
k( 116) = ( -0.3437500 0.5937500 -0.3437500), wk = 0.0014648
|
|
k( 117) = ( 0.6250000 -0.3750000 0.6250000), wk = 0.0014648
|
|
k( 118) = ( 0.5937500 -0.3437500 0.5937500), wk = 0.0014648
|
|
k( 119) = ( 0.5625000 -0.3125000 0.5625000), wk = 0.0014648
|
|
k( 120) = ( 0.5312500 -0.2812500 0.5312500), wk = 0.0014648
|
|
k( 121) = ( 0.5000000 -0.2500000 0.5000000), wk = 0.0014648
|
|
k( 122) = ( 0.4687500 -0.2187500 0.4687500), wk = 0.0014648
|
|
k( 123) = ( 0.4375000 -0.1875000 0.4375000), wk = 0.0014648
|
|
k( 124) = ( 0.4062500 -0.1562500 0.4062500), wk = 0.0014648
|
|
k( 125) = ( 0.3750000 -0.1250000 0.3750000), wk = 0.0014648
|
|
k( 126) = ( 0.3437500 -0.0937500 0.3437500), wk = 0.0014648
|
|
k( 127) = ( 0.3125000 -0.0625000 0.3125000), wk = 0.0014648
|
|
k( 128) = ( 0.2812500 -0.0312500 0.2812500), wk = 0.0014648
|
|
k( 129) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0007324
|
|
k( 130) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0003662
|
|
k( 131) = ( -0.0312500 0.3437500 -0.0312500), wk = 0.0014648
|
|
k( 132) = ( -0.0625000 0.3750000 -0.0625000), wk = 0.0014648
|
|
k( 133) = ( -0.0937500 0.4062500 -0.0937500), wk = 0.0014648
|
|
k( 134) = ( -0.1250000 0.4375000 -0.1250000), wk = 0.0014648
|
|
k( 135) = ( -0.1562500 0.4687500 -0.1562500), wk = 0.0014648
|
|
k( 136) = ( -0.1875000 0.5000000 -0.1875000), wk = 0.0014648
|
|
k( 137) = ( -0.2187500 0.5312500 -0.2187500), wk = 0.0014648
|
|
k( 138) = ( -0.2500000 0.5625000 -0.2500000), wk = 0.0014648
|
|
k( 139) = ( -0.2812500 0.5937500 -0.2812500), wk = 0.0014648
|
|
k( 140) = ( -0.3125000 0.6250000 -0.3125000), wk = 0.0014648
|
|
k( 141) = ( 0.6562500 -0.3437500 0.6562500), wk = 0.0014648
|
|
k( 142) = ( 0.6250000 -0.3125000 0.6250000), wk = 0.0014648
|
|
k( 143) = ( 0.5937500 -0.2812500 0.5937500), wk = 0.0014648
|
|
k( 144) = ( 0.5625000 -0.2500000 0.5625000), wk = 0.0014648
|
|
k( 145) = ( 0.5312500 -0.2187500 0.5312500), wk = 0.0014648
|
|
k( 146) = ( 0.5000000 -0.1875000 0.5000000), wk = 0.0014648
|
|
k( 147) = ( 0.4687500 -0.1562500 0.4687500), wk = 0.0014648
|
|
k( 148) = ( 0.4375000 -0.1250000 0.4375000), wk = 0.0014648
|
|
k( 149) = ( 0.4062500 -0.0937500 0.4062500), wk = 0.0014648
|
|
k( 150) = ( 0.3750000 -0.0625000 0.3750000), wk = 0.0014648
|
|
k( 151) = ( 0.3437500 -0.0312500 0.3437500), wk = 0.0014648
|
|
k( 152) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0007324
|
|
k( 153) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0003662
|
|
k( 154) = ( -0.0312500 0.4062500 -0.0312500), wk = 0.0014648
|
|
k( 155) = ( -0.0625000 0.4375000 -0.0625000), wk = 0.0014648
|
|
k( 156) = ( -0.0937500 0.4687500 -0.0937500), wk = 0.0014648
|
|
k( 157) = ( -0.1250000 0.5000000 -0.1250000), wk = 0.0014648
|
|
k( 158) = ( -0.1562500 0.5312500 -0.1562500), wk = 0.0014648
|
|
k( 159) = ( -0.1875000 0.5625000 -0.1875000), wk = 0.0014648
|
|
k( 160) = ( -0.2187500 0.5937500 -0.2187500), wk = 0.0014648
|
|
k( 161) = ( -0.2500000 0.6250000 -0.2500000), wk = 0.0014648
|
|
k( 162) = ( -0.2812500 0.6562500 -0.2812500), wk = 0.0014648
|
|
k( 163) = ( 0.6875000 -0.3125000 0.6875000), wk = 0.0014648
|
|
k( 164) = ( 0.6562500 -0.2812500 0.6562500), wk = 0.0014648
|
|
k( 165) = ( 0.6250000 -0.2500000 0.6250000), wk = 0.0014648
|
|
k( 166) = ( 0.5937500 -0.2187500 0.5937500), wk = 0.0014648
|
|
k( 167) = ( 0.5625000 -0.1875000 0.5625000), wk = 0.0014648
|
|
k( 168) = ( 0.5312500 -0.1562500 0.5312500), wk = 0.0014648
|
|
k( 169) = ( 0.5000000 -0.1250000 0.5000000), wk = 0.0014648
|
|
k( 170) = ( 0.4687500 -0.0937500 0.4687500), wk = 0.0014648
|
|
k( 171) = ( 0.4375000 -0.0625000 0.4375000), wk = 0.0014648
|
|
k( 172) = ( 0.4062500 -0.0312500 0.4062500), wk = 0.0014648
|
|
k( 173) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0007324
|
|
k( 174) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0003662
|
|
k( 175) = ( -0.0312500 0.4687500 -0.0312500), wk = 0.0014648
|
|
k( 176) = ( -0.0625000 0.5000000 -0.0625000), wk = 0.0014648
|
|
k( 177) = ( -0.0937500 0.5312500 -0.0937500), wk = 0.0014648
|
|
k( 178) = ( -0.1250000 0.5625000 -0.1250000), wk = 0.0014648
|
|
k( 179) = ( -0.1562500 0.5937500 -0.1562500), wk = 0.0014648
|
|
k( 180) = ( -0.1875000 0.6250000 -0.1875000), wk = 0.0014648
|
|
k( 181) = ( -0.2187500 0.6562500 -0.2187500), wk = 0.0014648
|
|
k( 182) = ( -0.2500000 0.6875000 -0.2500000), wk = 0.0014648
|
|
k( 183) = ( 0.7187500 -0.2812500 0.7187500), wk = 0.0014648
|
|
k( 184) = ( 0.6875000 -0.2500000 0.6875000), wk = 0.0014648
|
|
k( 185) = ( 0.6562500 -0.2187500 0.6562500), wk = 0.0014648
|
|
k( 186) = ( 0.6250000 -0.1875000 0.6250000), wk = 0.0014648
|
|
k( 187) = ( 0.5937500 -0.1562500 0.5937500), wk = 0.0014648
|
|
k( 188) = ( 0.5625000 -0.1250000 0.5625000), wk = 0.0014648
|
|
k( 189) = ( 0.5312500 -0.0937500 0.5312500), wk = 0.0014648
|
|
k( 190) = ( 0.5000000 -0.0625000 0.5000000), wk = 0.0014648
|
|
k( 191) = ( 0.4687500 -0.0312500 0.4687500), wk = 0.0014648
|
|
k( 192) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0007324
|
|
k( 193) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0003662
|
|
k( 194) = ( -0.0312500 0.5312500 -0.0312500), wk = 0.0014648
|
|
k( 195) = ( -0.0625000 0.5625000 -0.0625000), wk = 0.0014648
|
|
k( 196) = ( -0.0937500 0.5937500 -0.0937500), wk = 0.0014648
|
|
k( 197) = ( -0.1250000 0.6250000 -0.1250000), wk = 0.0014648
|
|
k( 198) = ( -0.1562500 0.6562500 -0.1562500), wk = 0.0014648
|
|
k( 199) = ( -0.1875000 0.6875000 -0.1875000), wk = 0.0014648
|
|
k( 200) = ( -0.2187500 0.7187500 -0.2187500), wk = 0.0014648
|
|
k( 201) = ( 0.7500000 -0.2500000 0.7500000), wk = 0.0014648
|
|
k( 202) = ( 0.7187500 -0.2187500 0.7187500), wk = 0.0014648
|
|
k( 203) = ( 0.6875000 -0.1875000 0.6875000), wk = 0.0014648
|
|
k( 204) = ( 0.6562500 -0.1562500 0.6562500), wk = 0.0014648
|
|
k( 205) = ( 0.6250000 -0.1250000 0.6250000), wk = 0.0014648
|
|
k( 206) = ( 0.5937500 -0.0937500 0.5937500), wk = 0.0014648
|
|
k( 207) = ( 0.5625000 -0.0625000 0.5625000), wk = 0.0014648
|
|
k( 208) = ( 0.5312500 -0.0312500 0.5312500), wk = 0.0014648
|
|
k( 209) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0007324
|
|
k( 210) = ( 0.0000000 0.5625000 0.0000000), wk = 0.0003662
|
|
k( 211) = ( -0.0312500 0.5937500 -0.0312500), wk = 0.0014648
|
|
k( 212) = ( -0.0625000 0.6250000 -0.0625000), wk = 0.0014648
|
|
k( 213) = ( -0.0937500 0.6562500 -0.0937500), wk = 0.0014648
|
|
k( 214) = ( -0.1250000 0.6875000 -0.1250000), wk = 0.0014648
|
|
k( 215) = ( -0.1562500 0.7187500 -0.1562500), wk = 0.0014648
|
|
k( 216) = ( -0.1875000 0.7500000 -0.1875000), wk = 0.0014648
|
|
k( 217) = ( 0.7812500 -0.2187500 0.7812500), wk = 0.0014648
|
|
k( 218) = ( 0.7500000 -0.1875000 0.7500000), wk = 0.0014648
|
|
k( 219) = ( 0.7187500 -0.1562500 0.7187500), wk = 0.0014648
|
|
k( 220) = ( 0.6875000 -0.1250000 0.6875000), wk = 0.0014648
|
|
k( 221) = ( 0.6562500 -0.0937500 0.6562500), wk = 0.0014648
|
|
k( 222) = ( 0.6250000 -0.0625000 0.6250000), wk = 0.0014648
|
|
k( 223) = ( 0.5937500 -0.0312500 0.5937500), wk = 0.0014648
|
|
k( 224) = ( 0.5625000 0.0000000 0.5625000), wk = 0.0007324
|
|
k( 225) = ( 0.0000000 0.6250000 0.0000000), wk = 0.0003662
|
|
k( 226) = ( -0.0312500 0.6562500 -0.0312500), wk = 0.0014648
|
|
k( 227) = ( -0.0625000 0.6875000 -0.0625000), wk = 0.0014648
|
|
k( 228) = ( -0.0937500 0.7187500 -0.0937500), wk = 0.0014648
|
|
k( 229) = ( -0.1250000 0.7500000 -0.1250000), wk = 0.0014648
|
|
k( 230) = ( -0.1562500 0.7812500 -0.1562500), wk = 0.0014648
|
|
k( 231) = ( 0.8125000 -0.1875000 0.8125000), wk = 0.0014648
|
|
k( 232) = ( 0.7812500 -0.1562500 0.7812500), wk = 0.0014648
|
|
k( 233) = ( 0.7500000 -0.1250000 0.7500000), wk = 0.0014648
|
|
k( 234) = ( 0.7187500 -0.0937500 0.7187500), wk = 0.0014648
|
|
k( 235) = ( 0.6875000 -0.0625000 0.6875000), wk = 0.0014648
|
|
k( 236) = ( 0.6562500 -0.0312500 0.6562500), wk = 0.0014648
|
|
k( 237) = ( 0.6250000 0.0000000 0.6250000), wk = 0.0007324
|
|
k( 238) = ( 0.0000000 0.6875000 0.0000000), wk = 0.0003662
|
|
k( 239) = ( -0.0312500 0.7187500 -0.0312500), wk = 0.0014648
|
|
k( 240) = ( -0.0625000 0.7500000 -0.0625000), wk = 0.0014648
|
|
k( 241) = ( -0.0937500 0.7812500 -0.0937500), wk = 0.0014648
|
|
k( 242) = ( -0.1250000 0.8125000 -0.1250000), wk = 0.0014648
|
|
k( 243) = ( 0.8437500 -0.1562500 0.8437500), wk = 0.0014648
|
|
k( 244) = ( 0.8125000 -0.1250000 0.8125000), wk = 0.0014648
|
|
k( 245) = ( 0.7812500 -0.0937500 0.7812500), wk = 0.0014648
|
|
k( 246) = ( 0.7500000 -0.0625000 0.7500000), wk = 0.0014648
|
|
k( 247) = ( 0.7187500 -0.0312500 0.7187500), wk = 0.0014648
|
|
k( 248) = ( 0.6875000 0.0000000 0.6875000), wk = 0.0007324
|
|
k( 249) = ( 0.0000000 0.7500000 0.0000000), wk = 0.0003662
|
|
k( 250) = ( -0.0312500 0.7812500 -0.0312500), wk = 0.0014648
|
|
k( 251) = ( -0.0625000 0.8125000 -0.0625000), wk = 0.0014648
|
|
k( 252) = ( -0.0937500 0.8437500 -0.0937500), wk = 0.0014648
|
|
k( 253) = ( 0.8750000 -0.1250000 0.8750000), wk = 0.0014648
|
|
k( 254) = ( 0.8437500 -0.0937500 0.8437500), wk = 0.0014648
|
|
k( 255) = ( 0.8125000 -0.0625000 0.8125000), wk = 0.0014648
|
|
k( 256) = ( 0.7812500 -0.0312500 0.7812500), wk = 0.0014648
|
|
k( 257) = ( 0.7500000 0.0000000 0.7500000), wk = 0.0007324
|
|
k( 258) = ( 0.0000000 0.8125000 0.0000000), wk = 0.0003662
|
|
k( 259) = ( -0.0312500 0.8437500 -0.0312500), wk = 0.0014648
|
|
k( 260) = ( -0.0625000 0.8750000 -0.0625000), wk = 0.0014648
|
|
k( 261) = ( 0.9062500 -0.0937500 0.9062500), wk = 0.0014648
|
|
k( 262) = ( 0.8750000 -0.0625000 0.8750000), wk = 0.0014648
|
|
k( 263) = ( 0.8437500 -0.0312500 0.8437500), wk = 0.0014648
|
|
k( 264) = ( 0.8125000 0.0000000 0.8125000), wk = 0.0007324
|
|
k( 265) = ( 0.0000000 0.8750000 0.0000000), wk = 0.0003662
|
|
k( 266) = ( -0.0312500 0.9062500 -0.0312500), wk = 0.0014648
|
|
k( 267) = ( 0.9375000 -0.0625000 0.9375000), wk = 0.0014648
|
|
k( 268) = ( 0.9062500 -0.0312500 0.9062500), wk = 0.0014648
|
|
k( 269) = ( 0.8750000 0.0000000 0.8750000), wk = 0.0007324
|
|
k( 270) = ( 0.0000000 0.9375000 0.0000000), wk = 0.0003662
|
|
k( 271) = ( 0.9687500 -0.0312500 0.9687500), wk = 0.0014648
|
|
k( 272) = ( 0.9375000 0.0000000 0.9375000), wk = 0.0007324
|
|
k( 273) = ( 0.0000000 -1.0000000 0.0000000), wk = 0.0001831
|
|
k( 274) = ( -0.0625000 0.1250000 0.0000000), wk = 0.0014648
|
|
k( 275) = ( -0.0937500 0.1562500 -0.0312500), wk = 0.0029297
|
|
k( 276) = ( -0.1250000 0.1875000 -0.0625000), wk = 0.0029297
|
|
k( 277) = ( -0.1562500 0.2187500 -0.0937500), wk = 0.0029297
|
|
k( 278) = ( -0.1875000 0.2500000 -0.1250000), wk = 0.0029297
|
|
k( 279) = ( -0.2187500 0.2812500 -0.1562500), wk = 0.0029297
|
|
k( 280) = ( -0.2500000 0.3125000 -0.1875000), wk = 0.0029297
|
|
k( 281) = ( -0.2812500 0.3437500 -0.2187500), wk = 0.0029297
|
|
k( 282) = ( -0.3125000 0.3750000 -0.2500000), wk = 0.0029297
|
|
k( 283) = ( -0.3437500 0.4062500 -0.2812500), wk = 0.0029297
|
|
k( 284) = ( -0.3750000 0.4375000 -0.3125000), wk = 0.0029297
|
|
k( 285) = ( -0.4062500 0.4687500 -0.3437500), wk = 0.0029297
|
|
k( 286) = ( -0.4375000 0.5000000 -0.3750000), wk = 0.0029297
|
|
k( 287) = ( 0.5312500 -0.4687500 0.5937500), wk = 0.0029297
|
|
k( 288) = ( 0.5000000 -0.4375000 0.5625000), wk = 0.0014648
|
|
k( 289) = ( -0.0625000 0.1875000 0.0000000), wk = 0.0014648
|
|
k( 290) = ( -0.0937500 0.2187500 -0.0312500), wk = 0.0029297
|
|
k( 291) = ( -0.1250000 0.2500000 -0.0625000), wk = 0.0029297
|
|
k( 292) = ( -0.1562500 0.2812500 -0.0937500), wk = 0.0029297
|
|
k( 293) = ( -0.1875000 0.3125000 -0.1250000), wk = 0.0029297
|
|
k( 294) = ( -0.2187500 0.3437500 -0.1562500), wk = 0.0029297
|
|
k( 295) = ( -0.2500000 0.3750000 -0.1875000), wk = 0.0029297
|
|
k( 296) = ( -0.2812500 0.4062500 -0.2187500), wk = 0.0029297
|
|
k( 297) = ( -0.3125000 0.4375000 -0.2500000), wk = 0.0029297
|
|
k( 298) = ( -0.3437500 0.4687500 -0.2812500), wk = 0.0029297
|
|
k( 299) = ( -0.3750000 0.5000000 -0.3125000), wk = 0.0029297
|
|
k( 300) = ( -0.4062500 0.5312500 -0.3437500), wk = 0.0029297
|
|
k( 301) = ( 0.5625000 -0.4375000 0.6250000), wk = 0.0029297
|
|
k( 302) = ( 0.5312500 -0.4062500 0.5937500), wk = 0.0029297
|
|
k( 303) = ( 0.5000000 -0.3750000 0.5625000), wk = 0.0029297
|
|
k( 304) = ( 0.4687500 -0.3437500 0.5312500), wk = 0.0029297
|
|
k( 305) = ( 0.4375000 -0.3125000 0.5000000), wk = 0.0029297
|
|
k( 306) = ( 0.4062500 -0.2812500 0.4687500), wk = 0.0029297
|
|
k( 307) = ( 0.3750000 -0.2500000 0.4375000), wk = 0.0029297
|
|
k( 308) = ( 0.3437500 -0.2187500 0.4062500), wk = 0.0029297
|
|
k( 309) = ( 0.3125000 -0.1875000 0.3750000), wk = 0.0029297
|
|
k( 310) = ( 0.2812500 -0.1562500 0.3437500), wk = 0.0029297
|
|
k( 311) = ( 0.2500000 -0.1250000 0.3125000), wk = 0.0029297
|
|
k( 312) = ( 0.2187500 -0.0937500 0.2812500), wk = 0.0029297
|
|
k( 313) = ( 0.1875000 -0.0625000 0.2500000), wk = 0.0029297
|
|
k( 314) = ( 0.1562500 -0.0312500 0.2187500), wk = 0.0029297
|
|
k( 315) = ( 0.1250000 0.0000000 0.1875000), wk = 0.0014648
|
|
k( 316) = ( -0.0625000 0.2500000 0.0000000), wk = 0.0014648
|
|
k( 317) = ( -0.0937500 0.2812500 -0.0312500), wk = 0.0029297
|
|
k( 318) = ( -0.1250000 0.3125000 -0.0625000), wk = 0.0029297
|
|
k( 319) = ( -0.1562500 0.3437500 -0.0937500), wk = 0.0029297
|
|
k( 320) = ( -0.1875000 0.3750000 -0.1250000), wk = 0.0029297
|
|
k( 321) = ( -0.2187500 0.4062500 -0.1562500), wk = 0.0029297
|
|
k( 322) = ( -0.2500000 0.4375000 -0.1875000), wk = 0.0029297
|
|
k( 323) = ( -0.2812500 0.4687500 -0.2187500), wk = 0.0029297
|
|
k( 324) = ( -0.3125000 0.5000000 -0.2500000), wk = 0.0029297
|
|
k( 325) = ( -0.3437500 0.5312500 -0.2812500), wk = 0.0029297
|
|
k( 326) = ( -0.3750000 0.5625000 -0.3125000), wk = 0.0029297
|
|
k( 327) = ( 0.5937500 -0.4062500 0.6562500), wk = 0.0029297
|
|
k( 328) = ( 0.5625000 -0.3750000 0.6250000), wk = 0.0029297
|
|
k( 329) = ( 0.5312500 -0.3437500 0.5937500), wk = 0.0029297
|
|
k( 330) = ( 0.5000000 -0.3125000 0.5625000), wk = 0.0029297
|
|
k( 331) = ( 0.4687500 -0.2812500 0.5312500), wk = 0.0029297
|
|
k( 332) = ( 0.4375000 -0.2500000 0.5000000), wk = 0.0029297
|
|
k( 333) = ( 0.4062500 -0.2187500 0.4687500), wk = 0.0029297
|
|
k( 334) = ( 0.3750000 -0.1875000 0.4375000), wk = 0.0029297
|
|
k( 335) = ( 0.3437500 -0.1562500 0.4062500), wk = 0.0029297
|
|
k( 336) = ( 0.3125000 -0.1250000 0.3750000), wk = 0.0029297
|
|
k( 337) = ( 0.2812500 -0.0937500 0.3437500), wk = 0.0029297
|
|
k( 338) = ( 0.2500000 -0.0625000 0.3125000), wk = 0.0029297
|
|
k( 339) = ( 0.2187500 -0.0312500 0.2812500), wk = 0.0029297
|
|
k( 340) = ( 0.1875000 0.0000000 0.2500000), wk = 0.0014648
|
|
k( 341) = ( -0.0625000 0.3125000 0.0000000), wk = 0.0014648
|
|
k( 342) = ( -0.0937500 0.3437500 -0.0312500), wk = 0.0029297
|
|
k( 343) = ( -0.1250000 0.3750000 -0.0625000), wk = 0.0029297
|
|
k( 344) = ( -0.1562500 0.4062500 -0.0937500), wk = 0.0029297
|
|
k( 345) = ( -0.1875000 0.4375000 -0.1250000), wk = 0.0029297
|
|
k( 346) = ( -0.2187500 0.4687500 -0.1562500), wk = 0.0029297
|
|
k( 347) = ( -0.2500000 0.5000000 -0.1875000), wk = 0.0029297
|
|
k( 348) = ( -0.2812500 0.5312500 -0.2187500), wk = 0.0029297
|
|
k( 349) = ( -0.3125000 0.5625000 -0.2500000), wk = 0.0029297
|
|
k( 350) = ( -0.3437500 0.5937500 -0.2812500), wk = 0.0029297
|
|
k( 351) = ( 0.6250000 -0.3750000 0.6875000), wk = 0.0029297
|
|
k( 352) = ( 0.5937500 -0.3437500 0.6562500), wk = 0.0029297
|
|
k( 353) = ( 0.5625000 -0.3125000 0.6250000), wk = 0.0029297
|
|
k( 354) = ( 0.5312500 -0.2812500 0.5937500), wk = 0.0029297
|
|
k( 355) = ( 0.5000000 -0.2500000 0.5625000), wk = 0.0029297
|
|
k( 356) = ( 0.4687500 -0.2187500 0.5312500), wk = 0.0029297
|
|
k( 357) = ( 0.4375000 -0.1875000 0.5000000), wk = 0.0029297
|
|
k( 358) = ( 0.4062500 -0.1562500 0.4687500), wk = 0.0029297
|
|
k( 359) = ( 0.3750000 -0.1250000 0.4375000), wk = 0.0029297
|
|
k( 360) = ( 0.3437500 -0.0937500 0.4062500), wk = 0.0029297
|
|
k( 361) = ( 0.3125000 -0.0625000 0.3750000), wk = 0.0029297
|
|
k( 362) = ( 0.2812500 -0.0312500 0.3437500), wk = 0.0029297
|
|
k( 363) = ( 0.2500000 0.0000000 0.3125000), wk = 0.0014648
|
|
k( 364) = ( -0.0625000 0.3750000 0.0000000), wk = 0.0014648
|
|
k( 365) = ( -0.0937500 0.4062500 -0.0312500), wk = 0.0029297
|
|
k( 366) = ( -0.1250000 0.4375000 -0.0625000), wk = 0.0029297
|
|
k( 367) = ( -0.1562500 0.4687500 -0.0937500), wk = 0.0029297
|
|
k( 368) = ( -0.1875000 0.5000000 -0.1250000), wk = 0.0029297
|
|
k( 369) = ( -0.2187500 0.5312500 -0.1562500), wk = 0.0029297
|
|
k( 370) = ( -0.2500000 0.5625000 -0.1875000), wk = 0.0029297
|
|
k( 371) = ( -0.2812500 0.5937500 -0.2187500), wk = 0.0029297
|
|
k( 372) = ( -0.3125000 0.6250000 -0.2500000), wk = 0.0029297
|
|
k( 373) = ( 0.6562500 -0.3437500 0.7187500), wk = 0.0029297
|
|
k( 374) = ( 0.6250000 -0.3125000 0.6875000), wk = 0.0029297
|
|
k( 375) = ( 0.5937500 -0.2812500 0.6562500), wk = 0.0029297
|
|
k( 376) = ( 0.5625000 -0.2500000 0.6250000), wk = 0.0029297
|
|
k( 377) = ( 0.5312500 -0.2187500 0.5937500), wk = 0.0029297
|
|
k( 378) = ( 0.5000000 -0.1875000 0.5625000), wk = 0.0029297
|
|
k( 379) = ( 0.4687500 -0.1562500 0.5312500), wk = 0.0029297
|
|
k( 380) = ( 0.4375000 -0.1250000 0.5000000), wk = 0.0029297
|
|
k( 381) = ( 0.4062500 -0.0937500 0.4687500), wk = 0.0029297
|
|
k( 382) = ( 0.3750000 -0.0625000 0.4375000), wk = 0.0029297
|
|
k( 383) = ( 0.3437500 -0.0312500 0.4062500), wk = 0.0029297
|
|
k( 384) = ( 0.3125000 0.0000000 0.3750000), wk = 0.0014648
|
|
k( 385) = ( -0.0625000 0.4375000 0.0000000), wk = 0.0014648
|
|
k( 386) = ( -0.0937500 0.4687500 -0.0312500), wk = 0.0029297
|
|
k( 387) = ( -0.1250000 0.5000000 -0.0625000), wk = 0.0029297
|
|
k( 388) = ( -0.1562500 0.5312500 -0.0937500), wk = 0.0029297
|
|
k( 389) = ( -0.1875000 0.5625000 -0.1250000), wk = 0.0029297
|
|
k( 390) = ( -0.2187500 0.5937500 -0.1562500), wk = 0.0029297
|
|
k( 391) = ( -0.2500000 0.6250000 -0.1875000), wk = 0.0029297
|
|
k( 392) = ( -0.2812500 0.6562500 -0.2187500), wk = 0.0029297
|
|
k( 393) = ( 0.6875000 -0.3125000 0.7500000), wk = 0.0029297
|
|
k( 394) = ( 0.6562500 -0.2812500 0.7187500), wk = 0.0029297
|
|
k( 395) = ( 0.6250000 -0.2500000 0.6875000), wk = 0.0029297
|
|
k( 396) = ( 0.5937500 -0.2187500 0.6562500), wk = 0.0029297
|
|
k( 397) = ( 0.5625000 -0.1875000 0.6250000), wk = 0.0029297
|
|
k( 398) = ( 0.5312500 -0.1562500 0.5937500), wk = 0.0029297
|
|
k( 399) = ( 0.5000000 -0.1250000 0.5625000), wk = 0.0029297
|
|
k( 400) = ( 0.4687500 -0.0937500 0.5312500), wk = 0.0029297
|
|
k( 401) = ( 0.4375000 -0.0625000 0.5000000), wk = 0.0029297
|
|
k( 402) = ( 0.4062500 -0.0312500 0.4687500), wk = 0.0029297
|
|
k( 403) = ( 0.3750000 0.0000000 0.4375000), wk = 0.0014648
|
|
k( 404) = ( -0.0625000 0.5000000 0.0000000), wk = 0.0014648
|
|
k( 405) = ( -0.0937500 0.5312500 -0.0312500), wk = 0.0029297
|
|
k( 406) = ( -0.1250000 0.5625000 -0.0625000), wk = 0.0029297
|
|
k( 407) = ( -0.1562500 0.5937500 -0.0937500), wk = 0.0029297
|
|
k( 408) = ( -0.1875000 0.6250000 -0.1250000), wk = 0.0029297
|
|
k( 409) = ( -0.2187500 0.6562500 -0.1562500), wk = 0.0029297
|
|
k( 410) = ( -0.2500000 0.6875000 -0.1875000), wk = 0.0029297
|
|
k( 411) = ( 0.7187500 -0.2812500 0.7812500), wk = 0.0029297
|
|
k( 412) = ( 0.6875000 -0.2500000 0.7500000), wk = 0.0029297
|
|
k( 413) = ( 0.6562500 -0.2187500 0.7187500), wk = 0.0029297
|
|
k( 414) = ( 0.6250000 -0.1875000 0.6875000), wk = 0.0029297
|
|
k( 415) = ( 0.5937500 -0.1562500 0.6562500), wk = 0.0029297
|
|
k( 416) = ( 0.5625000 -0.1250000 0.6250000), wk = 0.0029297
|
|
k( 417) = ( 0.5312500 -0.0937500 0.5937500), wk = 0.0029297
|
|
k( 418) = ( 0.5000000 -0.0625000 0.5625000), wk = 0.0029297
|
|
k( 419) = ( 0.4687500 -0.0312500 0.5312500), wk = 0.0029297
|
|
k( 420) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0014648
|
|
k( 421) = ( -0.0625000 0.5625000 0.0000000), wk = 0.0014648
|
|
k( 422) = ( -0.0937500 0.5937500 -0.0312500), wk = 0.0029297
|
|
k( 423) = ( -0.1250000 0.6250000 -0.0625000), wk = 0.0029297
|
|
k( 424) = ( -0.1562500 0.6562500 -0.0937500), wk = 0.0029297
|
|
k( 425) = ( -0.1875000 0.6875000 -0.1250000), wk = 0.0029297
|
|
k( 426) = ( -0.2187500 0.7187500 -0.1562500), wk = 0.0029297
|
|
k( 427) = ( 0.7500000 -0.2500000 0.8125000), wk = 0.0029297
|
|
k( 428) = ( 0.7187500 -0.2187500 0.7812500), wk = 0.0029297
|
|
k( 429) = ( 0.6875000 -0.1875000 0.7500000), wk = 0.0029297
|
|
k( 430) = ( 0.6562500 -0.1562500 0.7187500), wk = 0.0029297
|
|
k( 431) = ( 0.6250000 -0.1250000 0.6875000), wk = 0.0029297
|
|
k( 432) = ( 0.5937500 -0.0937500 0.6562500), wk = 0.0029297
|
|
k( 433) = ( 0.5625000 -0.0625000 0.6250000), wk = 0.0029297
|
|
k( 434) = ( 0.5312500 -0.0312500 0.5937500), wk = 0.0029297
|
|
k( 435) = ( 0.5000000 0.0000000 0.5625000), wk = 0.0014648
|
|
k( 436) = ( -0.0625000 0.6250000 0.0000000), wk = 0.0014648
|
|
k( 437) = ( -0.0937500 0.6562500 -0.0312500), wk = 0.0029297
|
|
k( 438) = ( -0.1250000 0.6875000 -0.0625000), wk = 0.0029297
|
|
k( 439) = ( -0.1562500 0.7187500 -0.0937500), wk = 0.0029297
|
|
k( 440) = ( -0.1875000 0.7500000 -0.1250000), wk = 0.0029297
|
|
k( 441) = ( 0.7812500 -0.2187500 0.8437500), wk = 0.0029297
|
|
k( 442) = ( 0.7500000 -0.1875000 0.8125000), wk = 0.0029297
|
|
k( 443) = ( 0.7187500 -0.1562500 0.7812500), wk = 0.0029297
|
|
k( 444) = ( 0.6875000 -0.1250000 0.7500000), wk = 0.0029297
|
|
k( 445) = ( 0.6562500 -0.0937500 0.7187500), wk = 0.0029297
|
|
k( 446) = ( 0.6250000 -0.0625000 0.6875000), wk = 0.0029297
|
|
k( 447) = ( 0.5937500 -0.0312500 0.6562500), wk = 0.0029297
|
|
k( 448) = ( 0.5625000 0.0000000 0.6250000), wk = 0.0014648
|
|
k( 449) = ( -0.0625000 0.6875000 0.0000000), wk = 0.0014648
|
|
k( 450) = ( -0.0937500 0.7187500 -0.0312500), wk = 0.0029297
|
|
k( 451) = ( -0.1250000 0.7500000 -0.0625000), wk = 0.0029297
|
|
k( 452) = ( -0.1562500 0.7812500 -0.0937500), wk = 0.0029297
|
|
k( 453) = ( 0.8125000 -0.1875000 0.8750000), wk = 0.0029297
|
|
k( 454) = ( 0.7812500 -0.1562500 0.8437500), wk = 0.0029297
|
|
k( 455) = ( 0.7500000 -0.1250000 0.8125000), wk = 0.0029297
|
|
k( 456) = ( 0.7187500 -0.0937500 0.7812500), wk = 0.0029297
|
|
k( 457) = ( 0.6875000 -0.0625000 0.7500000), wk = 0.0029297
|
|
k( 458) = ( 0.6562500 -0.0312500 0.7187500), wk = 0.0029297
|
|
k( 459) = ( 0.6250000 0.0000000 0.6875000), wk = 0.0014648
|
|
k( 460) = ( -0.0625000 0.7500000 0.0000000), wk = 0.0014648
|
|
k( 461) = ( -0.0937500 0.7812500 -0.0312500), wk = 0.0029297
|
|
k( 462) = ( -0.1250000 0.8125000 -0.0625000), wk = 0.0029297
|
|
k( 463) = ( 0.8437500 -0.1562500 0.9062500), wk = 0.0029297
|
|
k( 464) = ( 0.8125000 -0.1250000 0.8750000), wk = 0.0029297
|
|
k( 465) = ( 0.7812500 -0.0937500 0.8437500), wk = 0.0029297
|
|
k( 466) = ( 0.7500000 -0.0625000 0.8125000), wk = 0.0029297
|
|
k( 467) = ( 0.7187500 -0.0312500 0.7812500), wk = 0.0029297
|
|
k( 468) = ( 0.6875000 0.0000000 0.7500000), wk = 0.0014648
|
|
k( 469) = ( -0.0625000 0.8125000 0.0000000), wk = 0.0014648
|
|
k( 470) = ( -0.0937500 0.8437500 -0.0312500), wk = 0.0029297
|
|
k( 471) = ( 0.8750000 -0.1250000 0.9375000), wk = 0.0029297
|
|
k( 472) = ( 0.8437500 -0.0937500 0.9062500), wk = 0.0029297
|
|
k( 473) = ( 0.8125000 -0.0625000 0.8750000), wk = 0.0029297
|
|
k( 474) = ( 0.7812500 -0.0312500 0.8437500), wk = 0.0029297
|
|
k( 475) = ( 0.7500000 0.0000000 0.8125000), wk = 0.0014648
|
|
k( 476) = ( -0.0625000 0.8750000 0.0000000), wk = 0.0014648
|
|
k( 477) = ( 0.9062500 -0.0937500 0.9687500), wk = 0.0029297
|
|
k( 478) = ( 0.8750000 -0.0625000 0.9375000), wk = 0.0029297
|
|
k( 479) = ( 0.8437500 -0.0312500 0.9062500), wk = 0.0029297
|
|
k( 480) = ( 0.8125000 0.0000000 0.8750000), wk = 0.0014648
|
|
k( 481) = ( 0.9375000 -0.0625000 1.0000000), wk = 0.0014648
|
|
k( 482) = ( 0.9062500 -0.0312500 0.9687500), wk = 0.0029297
|
|
k( 483) = ( 0.8750000 0.0000000 0.9375000), wk = 0.0014648
|
|
k( 484) = ( -0.0625000 -1.0000000 0.0000000), wk = 0.0007324
|
|
k( 485) = ( -0.1250000 0.2500000 0.0000000), wk = 0.0014648
|
|
k( 486) = ( -0.1562500 0.2812500 -0.0312500), wk = 0.0029297
|
|
k( 487) = ( -0.1875000 0.3125000 -0.0625000), wk = 0.0029297
|
|
k( 488) = ( -0.2187500 0.3437500 -0.0937500), wk = 0.0029297
|
|
k( 489) = ( -0.2500000 0.3750000 -0.1250000), wk = 0.0029297
|
|
k( 490) = ( -0.2812500 0.4062500 -0.1562500), wk = 0.0029297
|
|
k( 491) = ( -0.3125000 0.4375000 -0.1875000), wk = 0.0029297
|
|
k( 492) = ( -0.3437500 0.4687500 -0.2187500), wk = 0.0029297
|
|
k( 493) = ( -0.3750000 0.5000000 -0.2500000), wk = 0.0029297
|
|
k( 494) = ( -0.4062500 0.5312500 -0.2812500), wk = 0.0029297
|
|
k( 495) = ( 0.5625000 -0.4375000 0.6875000), wk = 0.0029297
|
|
k( 496) = ( 0.5312500 -0.4062500 0.6562500), wk = 0.0029297
|
|
k( 497) = ( 0.5000000 -0.3750000 0.6250000), wk = 0.0014648
|
|
k( 498) = ( -0.1250000 0.3125000 0.0000000), wk = 0.0014648
|
|
k( 499) = ( -0.1562500 0.3437500 -0.0312500), wk = 0.0029297
|
|
k( 500) = ( -0.1875000 0.3750000 -0.0625000), wk = 0.0029297
|
|
k( 501) = ( -0.2187500 0.4062500 -0.0937500), wk = 0.0029297
|
|
k( 502) = ( -0.2500000 0.4375000 -0.1250000), wk = 0.0029297
|
|
k( 503) = ( -0.2812500 0.4687500 -0.1562500), wk = 0.0029297
|
|
k( 504) = ( -0.3125000 0.5000000 -0.1875000), wk = 0.0029297
|
|
k( 505) = ( -0.3437500 0.5312500 -0.2187500), wk = 0.0029297
|
|
k( 506) = ( -0.3750000 0.5625000 -0.2500000), wk = 0.0029297
|
|
k( 507) = ( 0.5937500 -0.4062500 0.7187500), wk = 0.0029297
|
|
k( 508) = ( 0.5625000 -0.3750000 0.6875000), wk = 0.0029297
|
|
k( 509) = ( 0.5312500 -0.3437500 0.6562500), wk = 0.0029297
|
|
k( 510) = ( 0.5000000 -0.3125000 0.6250000), wk = 0.0029297
|
|
k( 511) = ( 0.4687500 -0.2812500 0.5937500), wk = 0.0029297
|
|
k( 512) = ( 0.4375000 -0.2500000 0.5625000), wk = 0.0029297
|
|
k( 513) = ( 0.4062500 -0.2187500 0.5312500), wk = 0.0029297
|
|
k( 514) = ( 0.3750000 -0.1875000 0.5000000), wk = 0.0029297
|
|
k( 515) = ( 0.3437500 -0.1562500 0.4687500), wk = 0.0029297
|
|
k( 516) = ( 0.3125000 -0.1250000 0.4375000), wk = 0.0029297
|
|
k( 517) = ( 0.2812500 -0.0937500 0.4062500), wk = 0.0029297
|
|
k( 518) = ( 0.2500000 -0.0625000 0.3750000), wk = 0.0029297
|
|
k( 519) = ( 0.2187500 -0.0312500 0.3437500), wk = 0.0029297
|
|
k( 520) = ( 0.1875000 0.0000000 0.3125000), wk = 0.0014648
|
|
k( 521) = ( -0.1250000 0.3750000 0.0000000), wk = 0.0014648
|
|
k( 522) = ( -0.1562500 0.4062500 -0.0312500), wk = 0.0029297
|
|
k( 523) = ( -0.1875000 0.4375000 -0.0625000), wk = 0.0029297
|
|
k( 524) = ( -0.2187500 0.4687500 -0.0937500), wk = 0.0029297
|
|
k( 525) = ( -0.2500000 0.5000000 -0.1250000), wk = 0.0029297
|
|
k( 526) = ( -0.2812500 0.5312500 -0.1562500), wk = 0.0029297
|
|
k( 527) = ( -0.3125000 0.5625000 -0.1875000), wk = 0.0029297
|
|
k( 528) = ( -0.3437500 0.5937500 -0.2187500), wk = 0.0029297
|
|
k( 529) = ( 0.6250000 -0.3750000 0.7500000), wk = 0.0029297
|
|
k( 530) = ( 0.5937500 -0.3437500 0.7187500), wk = 0.0029297
|
|
k( 531) = ( 0.5625000 -0.3125000 0.6875000), wk = 0.0029297
|
|
k( 532) = ( 0.5312500 -0.2812500 0.6562500), wk = 0.0029297
|
|
k( 533) = ( 0.5000000 -0.2500000 0.6250000), wk = 0.0029297
|
|
k( 534) = ( 0.4687500 -0.2187500 0.5937500), wk = 0.0029297
|
|
k( 535) = ( 0.4375000 -0.1875000 0.5625000), wk = 0.0029297
|
|
k( 536) = ( 0.4062500 -0.1562500 0.5312500), wk = 0.0029297
|
|
k( 537) = ( 0.3750000 -0.1250000 0.5000000), wk = 0.0029297
|
|
k( 538) = ( 0.3437500 -0.0937500 0.4687500), wk = 0.0029297
|
|
k( 539) = ( 0.3125000 -0.0625000 0.4375000), wk = 0.0029297
|
|
k( 540) = ( 0.2812500 -0.0312500 0.4062500), wk = 0.0029297
|
|
k( 541) = ( 0.2500000 0.0000000 0.3750000), wk = 0.0014648
|
|
k( 542) = ( -0.1250000 0.4375000 0.0000000), wk = 0.0014648
|
|
k( 543) = ( -0.1562500 0.4687500 -0.0312500), wk = 0.0029297
|
|
k( 544) = ( -0.1875000 0.5000000 -0.0625000), wk = 0.0029297
|
|
k( 545) = ( -0.2187500 0.5312500 -0.0937500), wk = 0.0029297
|
|
k( 546) = ( -0.2500000 0.5625000 -0.1250000), wk = 0.0029297
|
|
k( 547) = ( -0.2812500 0.5937500 -0.1562500), wk = 0.0029297
|
|
k( 548) = ( -0.3125000 0.6250000 -0.1875000), wk = 0.0029297
|
|
k( 549) = ( 0.6562500 -0.3437500 0.7812500), wk = 0.0029297
|
|
k( 550) = ( 0.6250000 -0.3125000 0.7500000), wk = 0.0029297
|
|
k( 551) = ( 0.5937500 -0.2812500 0.7187500), wk = 0.0029297
|
|
k( 552) = ( 0.5625000 -0.2500000 0.6875000), wk = 0.0029297
|
|
k( 553) = ( 0.5312500 -0.2187500 0.6562500), wk = 0.0029297
|
|
k( 554) = ( 0.5000000 -0.1875000 0.6250000), wk = 0.0029297
|
|
k( 555) = ( 0.4687500 -0.1562500 0.5937500), wk = 0.0029297
|
|
k( 556) = ( 0.4375000 -0.1250000 0.5625000), wk = 0.0029297
|
|
k( 557) = ( 0.4062500 -0.0937500 0.5312500), wk = 0.0029297
|
|
k( 558) = ( 0.3750000 -0.0625000 0.5000000), wk = 0.0029297
|
|
k( 559) = ( 0.3437500 -0.0312500 0.4687500), wk = 0.0029297
|
|
k( 560) = ( 0.3125000 0.0000000 0.4375000), wk = 0.0014648
|
|
k( 561) = ( -0.1250000 0.5000000 0.0000000), wk = 0.0014648
|
|
k( 562) = ( -0.1562500 0.5312500 -0.0312500), wk = 0.0029297
|
|
k( 563) = ( -0.1875000 0.5625000 -0.0625000), wk = 0.0029297
|
|
k( 564) = ( -0.2187500 0.5937500 -0.0937500), wk = 0.0029297
|
|
k( 565) = ( -0.2500000 0.6250000 -0.1250000), wk = 0.0029297
|
|
k( 566) = ( -0.2812500 0.6562500 -0.1562500), wk = 0.0029297
|
|
k( 567) = ( 0.6875000 -0.3125000 0.8125000), wk = 0.0029297
|
|
k( 568) = ( 0.6562500 -0.2812500 0.7812500), wk = 0.0029297
|
|
k( 569) = ( 0.6250000 -0.2500000 0.7500000), wk = 0.0029297
|
|
k( 570) = ( 0.5937500 -0.2187500 0.7187500), wk = 0.0029297
|
|
k( 571) = ( 0.5625000 -0.1875000 0.6875000), wk = 0.0029297
|
|
k( 572) = ( 0.5312500 -0.1562500 0.6562500), wk = 0.0029297
|
|
k( 573) = ( 0.5000000 -0.1250000 0.6250000), wk = 0.0029297
|
|
k( 574) = ( 0.4687500 -0.0937500 0.5937500), wk = 0.0029297
|
|
k( 575) = ( 0.4375000 -0.0625000 0.5625000), wk = 0.0029297
|
|
k( 576) = ( 0.4062500 -0.0312500 0.5312500), wk = 0.0029297
|
|
k( 577) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0014648
|
|
k( 578) = ( -0.1250000 0.5625000 0.0000000), wk = 0.0014648
|
|
k( 579) = ( -0.1562500 0.5937500 -0.0312500), wk = 0.0029297
|
|
k( 580) = ( -0.1875000 0.6250000 -0.0625000), wk = 0.0029297
|
|
k( 581) = ( -0.2187500 0.6562500 -0.0937500), wk = 0.0029297
|
|
k( 582) = ( -0.2500000 0.6875000 -0.1250000), wk = 0.0029297
|
|
k( 583) = ( 0.7187500 -0.2812500 0.8437500), wk = 0.0029297
|
|
k( 584) = ( 0.6875000 -0.2500000 0.8125000), wk = 0.0029297
|
|
k( 585) = ( 0.6562500 -0.2187500 0.7812500), wk = 0.0029297
|
|
k( 586) = ( 0.6250000 -0.1875000 0.7500000), wk = 0.0029297
|
|
k( 587) = ( 0.5937500 -0.1562500 0.7187500), wk = 0.0029297
|
|
k( 588) = ( 0.5625000 -0.1250000 0.6875000), wk = 0.0029297
|
|
k( 589) = ( 0.5312500 -0.0937500 0.6562500), wk = 0.0029297
|
|
k( 590) = ( 0.5000000 -0.0625000 0.6250000), wk = 0.0029297
|
|
k( 591) = ( 0.4687500 -0.0312500 0.5937500), wk = 0.0029297
|
|
k( 592) = ( 0.4375000 0.0000000 0.5625000), wk = 0.0014648
|
|
k( 593) = ( -0.1250000 0.6250000 0.0000000), wk = 0.0014648
|
|
k( 594) = ( -0.1562500 0.6562500 -0.0312500), wk = 0.0029297
|
|
k( 595) = ( -0.1875000 0.6875000 -0.0625000), wk = 0.0029297
|
|
k( 596) = ( -0.2187500 0.7187500 -0.0937500), wk = 0.0029297
|
|
k( 597) = ( 0.7500000 -0.2500000 0.8750000), wk = 0.0029297
|
|
k( 598) = ( 0.7187500 -0.2187500 0.8437500), wk = 0.0029297
|
|
k( 599) = ( 0.6875000 -0.1875000 0.8125000), wk = 0.0029297
|
|
k( 600) = ( 0.6562500 -0.1562500 0.7812500), wk = 0.0029297
|
|
k( 601) = ( 0.6250000 -0.1250000 0.7500000), wk = 0.0029297
|
|
k( 602) = ( 0.5937500 -0.0937500 0.7187500), wk = 0.0029297
|
|
k( 603) = ( 0.5625000 -0.0625000 0.6875000), wk = 0.0029297
|
|
k( 604) = ( 0.5312500 -0.0312500 0.6562500), wk = 0.0029297
|
|
k( 605) = ( 0.5000000 0.0000000 0.6250000), wk = 0.0014648
|
|
k( 606) = ( -0.1250000 0.6875000 0.0000000), wk = 0.0014648
|
|
k( 607) = ( -0.1562500 0.7187500 -0.0312500), wk = 0.0029297
|
|
k( 608) = ( -0.1875000 0.7500000 -0.0625000), wk = 0.0029297
|
|
k( 609) = ( 0.7812500 -0.2187500 0.9062500), wk = 0.0029297
|
|
k( 610) = ( 0.7500000 -0.1875000 0.8750000), wk = 0.0029297
|
|
k( 611) = ( 0.7187500 -0.1562500 0.8437500), wk = 0.0029297
|
|
k( 612) = ( 0.6875000 -0.1250000 0.8125000), wk = 0.0029297
|
|
k( 613) = ( 0.6562500 -0.0937500 0.7812500), wk = 0.0029297
|
|
k( 614) = ( 0.6250000 -0.0625000 0.7500000), wk = 0.0029297
|
|
k( 615) = ( 0.5937500 -0.0312500 0.7187500), wk = 0.0029297
|
|
k( 616) = ( 0.5625000 0.0000000 0.6875000), wk = 0.0014648
|
|
k( 617) = ( -0.1250000 0.7500000 0.0000000), wk = 0.0014648
|
|
k( 618) = ( -0.1562500 0.7812500 -0.0312500), wk = 0.0029297
|
|
k( 619) = ( 0.8125000 -0.1875000 0.9375000), wk = 0.0029297
|
|
k( 620) = ( 0.7812500 -0.1562500 0.9062500), wk = 0.0029297
|
|
k( 621) = ( 0.7500000 -0.1250000 0.8750000), wk = 0.0029297
|
|
k( 622) = ( 0.7187500 -0.0937500 0.8437500), wk = 0.0029297
|
|
k( 623) = ( 0.6875000 -0.0625000 0.8125000), wk = 0.0029297
|
|
k( 624) = ( 0.6562500 -0.0312500 0.7812500), wk = 0.0029297
|
|
k( 625) = ( 0.6250000 0.0000000 0.7500000), wk = 0.0014648
|
|
k( 626) = ( -0.1250000 0.8125000 0.0000000), wk = 0.0014648
|
|
k( 627) = ( 0.8437500 -0.1562500 0.9687500), wk = 0.0029297
|
|
k( 628) = ( 0.8125000 -0.1250000 0.9375000), wk = 0.0029297
|
|
k( 629) = ( 0.7812500 -0.0937500 0.9062500), wk = 0.0029297
|
|
k( 630) = ( 0.7500000 -0.0625000 0.8750000), wk = 0.0029297
|
|
k( 631) = ( 0.7187500 -0.0312500 0.8437500), wk = 0.0029297
|
|
k( 632) = ( 0.6875000 0.0000000 0.8125000), wk = 0.0014648
|
|
k( 633) = ( 0.8750000 -0.1250000 1.0000000), wk = 0.0014648
|
|
k( 634) = ( 0.8437500 -0.0937500 0.9687500), wk = 0.0029297
|
|
k( 635) = ( 0.8125000 -0.0625000 0.9375000), wk = 0.0029297
|
|
k( 636) = ( 0.7812500 -0.0312500 0.9062500), wk = 0.0029297
|
|
k( 637) = ( 0.7500000 0.0000000 0.8750000), wk = 0.0014648
|
|
k( 638) = ( 0.8750000 -0.0625000 1.0000000), wk = 0.0014648
|
|
k( 639) = ( 0.8437500 -0.0312500 0.9687500), wk = 0.0029297
|
|
k( 640) = ( 0.8125000 0.0000000 0.9375000), wk = 0.0014648
|
|
k( 641) = ( -0.1250000 -1.0000000 0.0000000), wk = 0.0007324
|
|
k( 642) = ( -0.1875000 0.3750000 0.0000000), wk = 0.0014648
|
|
k( 643) = ( -0.2187500 0.4062500 -0.0312500), wk = 0.0029297
|
|
k( 644) = ( -0.2500000 0.4375000 -0.0625000), wk = 0.0029297
|
|
k( 645) = ( -0.2812500 0.4687500 -0.0937500), wk = 0.0029297
|
|
k( 646) = ( -0.3125000 0.5000000 -0.1250000), wk = 0.0029297
|
|
k( 647) = ( -0.3437500 0.5312500 -0.1562500), wk = 0.0029297
|
|
k( 648) = ( -0.3750000 0.5625000 -0.1875000), wk = 0.0029297
|
|
k( 649) = ( 0.5937500 -0.4062500 0.7812500), wk = 0.0029297
|
|
k( 650) = ( 0.5625000 -0.3750000 0.7500000), wk = 0.0029297
|
|
k( 651) = ( 0.5312500 -0.3437500 0.7187500), wk = 0.0029297
|
|
k( 652) = ( 0.5000000 -0.3125000 0.6875000), wk = 0.0014648
|
|
k( 653) = ( -0.1875000 0.4375000 0.0000000), wk = 0.0014648
|
|
k( 654) = ( -0.2187500 0.4687500 -0.0312500), wk = 0.0029297
|
|
k( 655) = ( -0.2500000 0.5000000 -0.0625000), wk = 0.0029297
|
|
k( 656) = ( -0.2812500 0.5312500 -0.0937500), wk = 0.0029297
|
|
k( 657) = ( -0.3125000 0.5625000 -0.1250000), wk = 0.0029297
|
|
k( 658) = ( -0.3437500 0.5937500 -0.1562500), wk = 0.0029297
|
|
k( 659) = ( 0.6250000 -0.3750000 0.8125000), wk = 0.0029297
|
|
k( 660) = ( 0.5937500 -0.3437500 0.7812500), wk = 0.0029297
|
|
k( 661) = ( 0.5625000 -0.3125000 0.7500000), wk = 0.0029297
|
|
k( 662) = ( 0.5312500 -0.2812500 0.7187500), wk = 0.0029297
|
|
k( 663) = ( 0.5000000 -0.2500000 0.6875000), wk = 0.0029297
|
|
k( 664) = ( 0.4687500 -0.2187500 0.6562500), wk = 0.0029297
|
|
k( 665) = ( 0.4375000 -0.1875000 0.6250000), wk = 0.0029297
|
|
k( 666) = ( 0.4062500 -0.1562500 0.5937500), wk = 0.0029297
|
|
k( 667) = ( 0.3750000 -0.1250000 0.5625000), wk = 0.0029297
|
|
k( 668) = ( 0.3437500 -0.0937500 0.5312500), wk = 0.0029297
|
|
k( 669) = ( 0.3125000 -0.0625000 0.5000000), wk = 0.0029297
|
|
k( 670) = ( 0.2812500 -0.0312500 0.4687500), wk = 0.0029297
|
|
k( 671) = ( 0.2500000 0.0000000 0.4375000), wk = 0.0014648
|
|
k( 672) = ( -0.1875000 0.5000000 0.0000000), wk = 0.0014648
|
|
k( 673) = ( -0.2187500 0.5312500 -0.0312500), wk = 0.0029297
|
|
k( 674) = ( -0.2500000 0.5625000 -0.0625000), wk = 0.0029297
|
|
k( 675) = ( -0.2812500 0.5937500 -0.0937500), wk = 0.0029297
|
|
k( 676) = ( -0.3125000 0.6250000 -0.1250000), wk = 0.0029297
|
|
k( 677) = ( 0.6562500 -0.3437500 0.8437500), wk = 0.0029297
|
|
k( 678) = ( 0.6250000 -0.3125000 0.8125000), wk = 0.0029297
|
|
k( 679) = ( 0.5937500 -0.2812500 0.7812500), wk = 0.0029297
|
|
k( 680) = ( 0.5625000 -0.2500000 0.7500000), wk = 0.0029297
|
|
k( 681) = ( 0.5312500 -0.2187500 0.7187500), wk = 0.0029297
|
|
k( 682) = ( 0.5000000 -0.1875000 0.6875000), wk = 0.0029297
|
|
k( 683) = ( 0.4687500 -0.1562500 0.6562500), wk = 0.0029297
|
|
k( 684) = ( 0.4375000 -0.1250000 0.6250000), wk = 0.0029297
|
|
k( 685) = ( 0.4062500 -0.0937500 0.5937500), wk = 0.0029297
|
|
k( 686) = ( 0.3750000 -0.0625000 0.5625000), wk = 0.0029297
|
|
k( 687) = ( 0.3437500 -0.0312500 0.5312500), wk = 0.0029297
|
|
k( 688) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0014648
|
|
k( 689) = ( -0.1875000 0.5625000 0.0000000), wk = 0.0014648
|
|
k( 690) = ( -0.2187500 0.5937500 -0.0312500), wk = 0.0029297
|
|
k( 691) = ( -0.2500000 0.6250000 -0.0625000), wk = 0.0029297
|
|
k( 692) = ( -0.2812500 0.6562500 -0.0937500), wk = 0.0029297
|
|
k( 693) = ( 0.6875000 -0.3125000 0.8750000), wk = 0.0029297
|
|
k( 694) = ( 0.6562500 -0.2812500 0.8437500), wk = 0.0029297
|
|
k( 695) = ( 0.6250000 -0.2500000 0.8125000), wk = 0.0029297
|
|
k( 696) = ( 0.5937500 -0.2187500 0.7812500), wk = 0.0029297
|
|
k( 697) = ( 0.5625000 -0.1875000 0.7500000), wk = 0.0029297
|
|
k( 698) = ( 0.5312500 -0.1562500 0.7187500), wk = 0.0029297
|
|
k( 699) = ( 0.5000000 -0.1250000 0.6875000), wk = 0.0029297
|
|
k( 700) = ( 0.4687500 -0.0937500 0.6562500), wk = 0.0029297
|
|
k( 701) = ( 0.4375000 -0.0625000 0.6250000), wk = 0.0029297
|
|
k( 702) = ( 0.4062500 -0.0312500 0.5937500), wk = 0.0029297
|
|
k( 703) = ( 0.3750000 0.0000000 0.5625000), wk = 0.0014648
|
|
k( 704) = ( -0.1875000 0.6250000 0.0000000), wk = 0.0014648
|
|
k( 705) = ( -0.2187500 0.6562500 -0.0312500), wk = 0.0029297
|
|
k( 706) = ( -0.2500000 0.6875000 -0.0625000), wk = 0.0029297
|
|
k( 707) = ( 0.7187500 -0.2812500 0.9062500), wk = 0.0029297
|
|
k( 708) = ( 0.6875000 -0.2500000 0.8750000), wk = 0.0029297
|
|
k( 709) = ( 0.6562500 -0.2187500 0.8437500), wk = 0.0029297
|
|
k( 710) = ( 0.6250000 -0.1875000 0.8125000), wk = 0.0029297
|
|
k( 711) = ( 0.5937500 -0.1562500 0.7812500), wk = 0.0029297
|
|
k( 712) = ( 0.5625000 -0.1250000 0.7500000), wk = 0.0029297
|
|
k( 713) = ( 0.5312500 -0.0937500 0.7187500), wk = 0.0029297
|
|
k( 714) = ( 0.5000000 -0.0625000 0.6875000), wk = 0.0029297
|
|
k( 715) = ( 0.4687500 -0.0312500 0.6562500), wk = 0.0029297
|
|
k( 716) = ( 0.4375000 0.0000000 0.6250000), wk = 0.0014648
|
|
k( 717) = ( -0.1875000 0.6875000 0.0000000), wk = 0.0014648
|
|
k( 718) = ( -0.2187500 0.7187500 -0.0312500), wk = 0.0029297
|
|
k( 719) = ( 0.7500000 -0.2500000 0.9375000), wk = 0.0029297
|
|
k( 720) = ( 0.7187500 -0.2187500 0.9062500), wk = 0.0029297
|
|
k( 721) = ( 0.6875000 -0.1875000 0.8750000), wk = 0.0029297
|
|
k( 722) = ( 0.6562500 -0.1562500 0.8437500), wk = 0.0029297
|
|
k( 723) = ( 0.6250000 -0.1250000 0.8125000), wk = 0.0029297
|
|
k( 724) = ( 0.5937500 -0.0937500 0.7812500), wk = 0.0029297
|
|
k( 725) = ( 0.5625000 -0.0625000 0.7500000), wk = 0.0029297
|
|
k( 726) = ( 0.5312500 -0.0312500 0.7187500), wk = 0.0029297
|
|
k( 727) = ( 0.5000000 0.0000000 0.6875000), wk = 0.0014648
|
|
k( 728) = ( -0.1875000 0.7500000 0.0000000), wk = 0.0014648
|
|
k( 729) = ( 0.7812500 -0.2187500 0.9687500), wk = 0.0029297
|
|
k( 730) = ( 0.7500000 -0.1875000 0.9375000), wk = 0.0029297
|
|
k( 731) = ( 0.7187500 -0.1562500 0.9062500), wk = 0.0029297
|
|
k( 732) = ( 0.6875000 -0.1250000 0.8750000), wk = 0.0029297
|
|
k( 733) = ( 0.6562500 -0.0937500 0.8437500), wk = 0.0029297
|
|
k( 734) = ( 0.6250000 -0.0625000 0.8125000), wk = 0.0029297
|
|
k( 735) = ( 0.5937500 -0.0312500 0.7812500), wk = 0.0029297
|
|
k( 736) = ( 0.5625000 0.0000000 0.7500000), wk = 0.0014648
|
|
k( 737) = ( 0.8125000 -0.1875000 1.0000000), wk = 0.0014648
|
|
k( 738) = ( 0.7812500 -0.1562500 0.9687500), wk = 0.0029297
|
|
k( 739) = ( 0.7500000 -0.1250000 0.9375000), wk = 0.0029297
|
|
k( 740) = ( 0.7187500 -0.0937500 0.9062500), wk = 0.0029297
|
|
k( 741) = ( 0.6875000 -0.0625000 0.8750000), wk = 0.0029297
|
|
k( 742) = ( 0.6562500 -0.0312500 0.8437500), wk = 0.0029297
|
|
k( 743) = ( 0.6250000 0.0000000 0.8125000), wk = 0.0014648
|
|
k( 744) = ( 0.8125000 -0.1250000 1.0000000), wk = 0.0014648
|
|
k( 745) = ( 0.7812500 -0.0937500 0.9687500), wk = 0.0029297
|
|
k( 746) = ( 0.7500000 -0.0625000 0.9375000), wk = 0.0029297
|
|
k( 747) = ( 0.7187500 -0.0312500 0.9062500), wk = 0.0029297
|
|
k( 748) = ( 0.6875000 0.0000000 0.8750000), wk = 0.0014648
|
|
k( 749) = ( 0.8125000 -0.0625000 1.0000000), wk = 0.0014648
|
|
k( 750) = ( 0.7812500 -0.0312500 0.9687500), wk = 0.0029297
|
|
k( 751) = ( 0.7500000 0.0000000 0.9375000), wk = 0.0014648
|
|
k( 752) = ( -0.1875000 -1.0000000 0.0000000), wk = 0.0007324
|
|
k( 753) = ( -0.2500000 0.5000000 0.0000000), wk = 0.0014648
|
|
k( 754) = ( -0.2812500 0.5312500 -0.0312500), wk = 0.0029297
|
|
k( 755) = ( -0.3125000 0.5625000 -0.0625000), wk = 0.0029297
|
|
k( 756) = ( -0.3437500 0.5937500 -0.0937500), wk = 0.0029297
|
|
k( 757) = ( 0.6250000 -0.3750000 0.8750000), wk = 0.0029297
|
|
k( 758) = ( 0.5937500 -0.3437500 0.8437500), wk = 0.0029297
|
|
k( 759) = ( 0.5625000 -0.3125000 0.8125000), wk = 0.0029297
|
|
k( 760) = ( 0.5312500 -0.2812500 0.7812500), wk = 0.0029297
|
|
k( 761) = ( 0.5000000 -0.2500000 0.7500000), wk = 0.0014648
|
|
k( 762) = ( -0.2500000 0.5625000 0.0000000), wk = 0.0014648
|
|
k( 763) = ( -0.2812500 0.5937500 -0.0312500), wk = 0.0029297
|
|
k( 764) = ( -0.3125000 0.6250000 -0.0625000), wk = 0.0029297
|
|
k( 765) = ( 0.6562500 -0.3437500 0.9062500), wk = 0.0029297
|
|
k( 766) = ( 0.6250000 -0.3125000 0.8750000), wk = 0.0029297
|
|
k( 767) = ( 0.5937500 -0.2812500 0.8437500), wk = 0.0029297
|
|
k( 768) = ( 0.5625000 -0.2500000 0.8125000), wk = 0.0029297
|
|
k( 769) = ( 0.5312500 -0.2187500 0.7812500), wk = 0.0029297
|
|
k( 770) = ( 0.5000000 -0.1875000 0.7500000), wk = 0.0029297
|
|
k( 771) = ( 0.4687500 -0.1562500 0.7187500), wk = 0.0029297
|
|
k( 772) = ( 0.4375000 -0.1250000 0.6875000), wk = 0.0029297
|
|
k( 773) = ( 0.4062500 -0.0937500 0.6562500), wk = 0.0029297
|
|
k( 774) = ( 0.3750000 -0.0625000 0.6250000), wk = 0.0029297
|
|
k( 775) = ( 0.3437500 -0.0312500 0.5937500), wk = 0.0029297
|
|
k( 776) = ( 0.3125000 0.0000000 0.5625000), wk = 0.0014648
|
|
k( 777) = ( -0.2500000 0.6250000 0.0000000), wk = 0.0014648
|
|
k( 778) = ( -0.2812500 0.6562500 -0.0312500), wk = 0.0029297
|
|
k( 779) = ( 0.6875000 -0.3125000 0.9375000), wk = 0.0029297
|
|
k( 780) = ( 0.6562500 -0.2812500 0.9062500), wk = 0.0029297
|
|
k( 781) = ( 0.6250000 -0.2500000 0.8750000), wk = 0.0029297
|
|
k( 782) = ( 0.5937500 -0.2187500 0.8437500), wk = 0.0029297
|
|
k( 783) = ( 0.5625000 -0.1875000 0.8125000), wk = 0.0029297
|
|
k( 784) = ( 0.5312500 -0.1562500 0.7812500), wk = 0.0029297
|
|
k( 785) = ( 0.5000000 -0.1250000 0.7500000), wk = 0.0029297
|
|
k( 786) = ( 0.4687500 -0.0937500 0.7187500), wk = 0.0029297
|
|
k( 787) = ( 0.4375000 -0.0625000 0.6875000), wk = 0.0029297
|
|
k( 788) = ( 0.4062500 -0.0312500 0.6562500), wk = 0.0029297
|
|
k( 789) = ( 0.3750000 0.0000000 0.6250000), wk = 0.0014648
|
|
k( 790) = ( -0.2500000 0.6875000 0.0000000), wk = 0.0014648
|
|
k( 791) = ( 0.7187500 -0.2812500 0.9687500), wk = 0.0029297
|
|
k( 792) = ( 0.6875000 -0.2500000 0.9375000), wk = 0.0029297
|
|
k( 793) = ( 0.6562500 -0.2187500 0.9062500), wk = 0.0029297
|
|
k( 794) = ( 0.6250000 -0.1875000 0.8750000), wk = 0.0029297
|
|
k( 795) = ( 0.5937500 -0.1562500 0.8437500), wk = 0.0029297
|
|
k( 796) = ( 0.5625000 -0.1250000 0.8125000), wk = 0.0029297
|
|
k( 797) = ( 0.5312500 -0.0937500 0.7812500), wk = 0.0029297
|
|
k( 798) = ( 0.5000000 -0.0625000 0.7500000), wk = 0.0029297
|
|
k( 799) = ( 0.4687500 -0.0312500 0.7187500), wk = 0.0029297
|
|
k( 800) = ( 0.4375000 0.0000000 0.6875000), wk = 0.0014648
|
|
k( 801) = ( 0.7500000 -0.2500000 1.0000000), wk = 0.0014648
|
|
k( 802) = ( 0.7187500 -0.2187500 0.9687500), wk = 0.0029297
|
|
k( 803) = ( 0.6875000 -0.1875000 0.9375000), wk = 0.0029297
|
|
k( 804) = ( 0.6562500 -0.1562500 0.9062500), wk = 0.0029297
|
|
k( 805) = ( 0.6250000 -0.1250000 0.8750000), wk = 0.0029297
|
|
k( 806) = ( 0.5937500 -0.0937500 0.8437500), wk = 0.0029297
|
|
k( 807) = ( 0.5625000 -0.0625000 0.8125000), wk = 0.0029297
|
|
k( 808) = ( 0.5312500 -0.0312500 0.7812500), wk = 0.0029297
|
|
k( 809) = ( 0.5000000 0.0000000 0.7500000), wk = 0.0014648
|
|
k( 810) = ( 0.7500000 -0.1875000 1.0000000), wk = 0.0014648
|
|
k( 811) = ( 0.7187500 -0.1562500 0.9687500), wk = 0.0029297
|
|
k( 812) = ( 0.6875000 -0.1250000 0.9375000), wk = 0.0029297
|
|
k( 813) = ( 0.6562500 -0.0937500 0.9062500), wk = 0.0029297
|
|
k( 814) = ( 0.6250000 -0.0625000 0.8750000), wk = 0.0029297
|
|
k( 815) = ( 0.5937500 -0.0312500 0.8437500), wk = 0.0029297
|
|
k( 816) = ( 0.5625000 0.0000000 0.8125000), wk = 0.0014648
|
|
k( 817) = ( 0.7500000 -0.1250000 1.0000000), wk = 0.0014648
|
|
k( 818) = ( 0.7187500 -0.0937500 0.9687500), wk = 0.0029297
|
|
k( 819) = ( 0.6875000 -0.0625000 0.9375000), wk = 0.0029297
|
|
k( 820) = ( 0.6562500 -0.0312500 0.9062500), wk = 0.0029297
|
|
k( 821) = ( 0.6250000 0.0000000 0.8750000), wk = 0.0014648
|
|
k( 822) = ( 0.7500000 -0.0625000 1.0000000), wk = 0.0014648
|
|
k( 823) = ( 0.7187500 -0.0312500 0.9687500), wk = 0.0029297
|
|
k( 824) = ( 0.6875000 0.0000000 0.9375000), wk = 0.0014648
|
|
k( 825) = ( -0.2500000 -1.0000000 0.0000000), wk = 0.0007324
|
|
k( 826) = ( -0.3125000 0.6250000 0.0000000), wk = 0.0014648
|
|
k( 827) = ( 0.6562500 -0.3437500 0.9687500), wk = 0.0029297
|
|
k( 828) = ( 0.6250000 -0.3125000 0.9375000), wk = 0.0029297
|
|
k( 829) = ( 0.5937500 -0.2812500 0.9062500), wk = 0.0029297
|
|
k( 830) = ( 0.5625000 -0.2500000 0.8750000), wk = 0.0029297
|
|
k( 831) = ( 0.5312500 -0.2187500 0.8437500), wk = 0.0029297
|
|
k( 832) = ( 0.5000000 -0.1875000 0.8125000), wk = 0.0014648
|
|
k( 833) = ( 0.6875000 -0.3125000 1.0000000), wk = 0.0014648
|
|
k( 834) = ( 0.6562500 -0.2812500 0.9687500), wk = 0.0029297
|
|
k( 835) = ( 0.6250000 -0.2500000 0.9375000), wk = 0.0029297
|
|
k( 836) = ( 0.5937500 -0.2187500 0.9062500), wk = 0.0029297
|
|
k( 837) = ( 0.5625000 -0.1875000 0.8750000), wk = 0.0029297
|
|
k( 838) = ( 0.5312500 -0.1562500 0.8437500), wk = 0.0029297
|
|
k( 839) = ( 0.5000000 -0.1250000 0.8125000), wk = 0.0029297
|
|
k( 840) = ( 0.4687500 -0.0937500 0.7812500), wk = 0.0029297
|
|
k( 841) = ( 0.4375000 -0.0625000 0.7500000), wk = 0.0029297
|
|
k( 842) = ( 0.4062500 -0.0312500 0.7187500), wk = 0.0029297
|
|
k( 843) = ( 0.3750000 0.0000000 0.6875000), wk = 0.0014648
|
|
k( 844) = ( 0.6875000 -0.2500000 1.0000000), wk = 0.0014648
|
|
k( 845) = ( 0.6562500 -0.2187500 0.9687500), wk = 0.0029297
|
|
k( 846) = ( 0.6250000 -0.1875000 0.9375000), wk = 0.0029297
|
|
k( 847) = ( 0.5937500 -0.1562500 0.9062500), wk = 0.0029297
|
|
k( 848) = ( 0.5625000 -0.1250000 0.8750000), wk = 0.0029297
|
|
k( 849) = ( 0.5312500 -0.0937500 0.8437500), wk = 0.0029297
|
|
k( 850) = ( 0.5000000 -0.0625000 0.8125000), wk = 0.0029297
|
|
k( 851) = ( 0.4687500 -0.0312500 0.7812500), wk = 0.0029297
|
|
k( 852) = ( 0.4375000 0.0000000 0.7500000), wk = 0.0014648
|
|
k( 853) = ( 0.6875000 -0.1875000 1.0000000), wk = 0.0014648
|
|
k( 854) = ( 0.6562500 -0.1562500 0.9687500), wk = 0.0029297
|
|
k( 855) = ( 0.6250000 -0.1250000 0.9375000), wk = 0.0029297
|
|
k( 856) = ( 0.5937500 -0.0937500 0.9062500), wk = 0.0029297
|
|
k( 857) = ( 0.5625000 -0.0625000 0.8750000), wk = 0.0029297
|
|
k( 858) = ( 0.5312500 -0.0312500 0.8437500), wk = 0.0029297
|
|
k( 859) = ( 0.5000000 0.0000000 0.8125000), wk = 0.0014648
|
|
k( 860) = ( 0.6875000 -0.1250000 1.0000000), wk = 0.0014648
|
|
k( 861) = ( 0.6562500 -0.0937500 0.9687500), wk = 0.0029297
|
|
k( 862) = ( 0.6250000 -0.0625000 0.9375000), wk = 0.0029297
|
|
k( 863) = ( 0.5937500 -0.0312500 0.9062500), wk = 0.0029297
|
|
k( 864) = ( 0.5625000 0.0000000 0.8750000), wk = 0.0014648
|
|
k( 865) = ( 0.6875000 -0.0625000 1.0000000), wk = 0.0014648
|
|
k( 866) = ( 0.6562500 -0.0312500 0.9687500), wk = 0.0029297
|
|
k( 867) = ( 0.6250000 0.0000000 0.9375000), wk = 0.0014648
|
|
k( 868) = ( -0.3125000 -1.0000000 0.0000000), wk = 0.0007324
|
|
k( 869) = ( 0.6250000 -0.2500000 1.0000000), wk = 0.0014648
|
|
k( 870) = ( 0.5937500 -0.2187500 0.9687500), wk = 0.0029297
|
|
k( 871) = ( 0.5625000 -0.1875000 0.9375000), wk = 0.0029297
|
|
k( 872) = ( 0.5312500 -0.1562500 0.9062500), wk = 0.0029297
|
|
k( 873) = ( 0.5000000 -0.1250000 0.8750000), wk = 0.0014648
|
|
k( 874) = ( 0.6250000 -0.1875000 1.0000000), wk = 0.0014648
|
|
k( 875) = ( 0.5937500 -0.1562500 0.9687500), wk = 0.0029297
|
|
k( 876) = ( 0.5625000 -0.1250000 0.9375000), wk = 0.0029297
|
|
k( 877) = ( 0.5312500 -0.0937500 0.9062500), wk = 0.0029297
|
|
k( 878) = ( 0.5000000 -0.0625000 0.8750000), wk = 0.0029297
|
|
k( 879) = ( 0.4687500 -0.0312500 0.8437500), wk = 0.0029297
|
|
k( 880) = ( 0.4375000 0.0000000 0.8125000), wk = 0.0014648
|
|
k( 881) = ( 0.6250000 -0.1250000 1.0000000), wk = 0.0014648
|
|
k( 882) = ( 0.5937500 -0.0937500 0.9687500), wk = 0.0029297
|
|
k( 883) = ( 0.5625000 -0.0625000 0.9375000), wk = 0.0029297
|
|
k( 884) = ( 0.5312500 -0.0312500 0.9062500), wk = 0.0029297
|
|
k( 885) = ( 0.5000000 0.0000000 0.8750000), wk = 0.0014648
|
|
k( 886) = ( 0.6250000 -0.0625000 1.0000000), wk = 0.0014648
|
|
k( 887) = ( 0.5937500 -0.0312500 0.9687500), wk = 0.0029297
|
|
k( 888) = ( 0.5625000 0.0000000 0.9375000), wk = 0.0014648
|
|
k( 889) = ( -0.3750000 -1.0000000 0.0000000), wk = 0.0007324
|
|
k( 890) = ( 0.5625000 -0.1250000 1.0000000), wk = 0.0014648
|
|
k( 891) = ( 0.5312500 -0.0937500 0.9687500), wk = 0.0029297
|
|
k( 892) = ( 0.5000000 -0.0625000 0.9375000), wk = 0.0014648
|
|
k( 893) = ( 0.5625000 -0.0625000 1.0000000), wk = 0.0014648
|
|
k( 894) = ( 0.5312500 -0.0312500 0.9687500), wk = 0.0029297
|
|
k( 895) = ( 0.5000000 0.0000000 0.9375000), wk = 0.0014648
|
|
k( 896) = ( -0.4375000 -1.0000000 0.0000000), wk = 0.0007324
|
|
k( 897) = ( -0.5000000 -1.0000000 0.0000000), wk = 0.0003662
|
|
|
|
cryst. coord.
|
|
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0000610
|
|
k( 2) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0004883
|
|
k( 3) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0004883
|
|
k( 4) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0004883
|
|
k( 5) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0004883
|
|
k( 6) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0004883
|
|
k( 7) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0004883
|
|
k( 8) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0004883
|
|
k( 9) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0004883
|
|
k( 10) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0004883
|
|
k( 11) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0004883
|
|
k( 12) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0004883
|
|
k( 13) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0004883
|
|
k( 14) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0004883
|
|
k( 15) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0004883
|
|
k( 16) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0004883
|
|
k( 17) = ( 0.0000000 0.0000000 -0.5000000), wk = 0.0002441
|
|
k( 18) = ( 0.0000000 0.0312500 0.0312500), wk = 0.0003662
|
|
k( 19) = ( 0.0000000 0.0312500 0.0625000), wk = 0.0014648
|
|
k( 20) = ( 0.0000000 0.0312500 0.0937500), wk = 0.0014648
|
|
k( 21) = ( 0.0000000 0.0312500 0.1250000), wk = 0.0014648
|
|
k( 22) = ( 0.0000000 0.0312500 0.1562500), wk = 0.0014648
|
|
k( 23) = ( 0.0000000 0.0312500 0.1875000), wk = 0.0014648
|
|
k( 24) = ( 0.0000000 0.0312500 0.2187500), wk = 0.0014648
|
|
k( 25) = ( 0.0000000 0.0312500 0.2500000), wk = 0.0014648
|
|
k( 26) = ( 0.0000000 0.0312500 0.2812500), wk = 0.0014648
|
|
k( 27) = ( 0.0000000 0.0312500 0.3125000), wk = 0.0014648
|
|
k( 28) = ( 0.0000000 0.0312500 0.3437500), wk = 0.0014648
|
|
k( 29) = ( 0.0000000 0.0312500 0.3750000), wk = 0.0014648
|
|
k( 30) = ( 0.0000000 0.0312500 0.4062500), wk = 0.0014648
|
|
k( 31) = ( 0.0000000 0.0312500 0.4375000), wk = 0.0014648
|
|
k( 32) = ( 0.0000000 0.0312500 0.4687500), wk = 0.0014648
|
|
k( 33) = ( 0.0000000 0.0312500 -0.5000000), wk = 0.0014648
|
|
k( 34) = ( 0.0000000 0.0312500 -0.4687500), wk = 0.0014648
|
|
k( 35) = ( 0.0000000 0.0312500 -0.4375000), wk = 0.0014648
|
|
k( 36) = ( 0.0000000 0.0312500 -0.4062500), wk = 0.0014648
|
|
k( 37) = ( 0.0000000 0.0312500 -0.3750000), wk = 0.0014648
|
|
k( 38) = ( 0.0000000 0.0312500 -0.3437500), wk = 0.0014648
|
|
k( 39) = ( 0.0000000 0.0312500 -0.3125000), wk = 0.0014648
|
|
k( 40) = ( 0.0000000 0.0312500 -0.2812500), wk = 0.0014648
|
|
k( 41) = ( 0.0000000 0.0312500 -0.2500000), wk = 0.0014648
|
|
k( 42) = ( 0.0000000 0.0312500 -0.2187500), wk = 0.0014648
|
|
k( 43) = ( 0.0000000 0.0312500 -0.1875000), wk = 0.0014648
|
|
k( 44) = ( 0.0000000 0.0312500 -0.1562500), wk = 0.0014648
|
|
k( 45) = ( 0.0000000 0.0312500 -0.1250000), wk = 0.0014648
|
|
k( 46) = ( 0.0000000 0.0312500 -0.0937500), wk = 0.0014648
|
|
k( 47) = ( 0.0000000 0.0312500 -0.0625000), wk = 0.0014648
|
|
k( 48) = ( 0.0000000 0.0312500 -0.0312500), wk = 0.0007324
|
|
k( 49) = ( 0.0000000 0.0625000 0.0625000), wk = 0.0003662
|
|
k( 50) = ( 0.0000000 0.0625000 0.0937500), wk = 0.0014648
|
|
k( 51) = ( 0.0000000 0.0625000 0.1250000), wk = 0.0014648
|
|
k( 52) = ( 0.0000000 0.0625000 0.1562500), wk = 0.0014648
|
|
k( 53) = ( 0.0000000 0.0625000 0.1875000), wk = 0.0014648
|
|
k( 54) = ( 0.0000000 0.0625000 0.2187500), wk = 0.0014648
|
|
k( 55) = ( 0.0000000 0.0625000 0.2500000), wk = 0.0014648
|
|
k( 56) = ( 0.0000000 0.0625000 0.2812500), wk = 0.0014648
|
|
k( 57) = ( 0.0000000 0.0625000 0.3125000), wk = 0.0014648
|
|
k( 58) = ( 0.0000000 0.0625000 0.3437500), wk = 0.0014648
|
|
k( 59) = ( 0.0000000 0.0625000 0.3750000), wk = 0.0014648
|
|
k( 60) = ( 0.0000000 0.0625000 0.4062500), wk = 0.0014648
|
|
k( 61) = ( 0.0000000 0.0625000 0.4375000), wk = 0.0014648
|
|
k( 62) = ( 0.0000000 0.0625000 0.4687500), wk = 0.0014648
|
|
k( 63) = ( 0.0000000 0.0625000 -0.5000000), wk = 0.0014648
|
|
k( 64) = ( 0.0000000 0.0625000 -0.4687500), wk = 0.0014648
|
|
k( 65) = ( 0.0000000 0.0625000 -0.4375000), wk = 0.0014648
|
|
k( 66) = ( 0.0000000 0.0625000 -0.4062500), wk = 0.0014648
|
|
k( 67) = ( 0.0000000 0.0625000 -0.3750000), wk = 0.0014648
|
|
k( 68) = ( 0.0000000 0.0625000 -0.3437500), wk = 0.0014648
|
|
k( 69) = ( 0.0000000 0.0625000 -0.3125000), wk = 0.0014648
|
|
k( 70) = ( 0.0000000 0.0625000 -0.2812500), wk = 0.0014648
|
|
k( 71) = ( 0.0000000 0.0625000 -0.2500000), wk = 0.0014648
|
|
k( 72) = ( 0.0000000 0.0625000 -0.2187500), wk = 0.0014648
|
|
k( 73) = ( 0.0000000 0.0625000 -0.1875000), wk = 0.0014648
|
|
k( 74) = ( 0.0000000 0.0625000 -0.1562500), wk = 0.0014648
|
|
k( 75) = ( 0.0000000 0.0625000 -0.1250000), wk = 0.0014648
|
|
k( 76) = ( 0.0000000 0.0625000 -0.0937500), wk = 0.0014648
|
|
k( 77) = ( 0.0000000 0.0625000 -0.0625000), wk = 0.0007324
|
|
k( 78) = ( 0.0000000 0.0937500 0.0937500), wk = 0.0003662
|
|
k( 79) = ( 0.0000000 0.0937500 0.1250000), wk = 0.0014648
|
|
k( 80) = ( 0.0000000 0.0937500 0.1562500), wk = 0.0014648
|
|
k( 81) = ( 0.0000000 0.0937500 0.1875000), wk = 0.0014648
|
|
k( 82) = ( 0.0000000 0.0937500 0.2187500), wk = 0.0014648
|
|
k( 83) = ( 0.0000000 0.0937500 0.2500000), wk = 0.0014648
|
|
k( 84) = ( 0.0000000 0.0937500 0.2812500), wk = 0.0014648
|
|
k( 85) = ( 0.0000000 0.0937500 0.3125000), wk = 0.0014648
|
|
k( 86) = ( 0.0000000 0.0937500 0.3437500), wk = 0.0014648
|
|
k( 87) = ( 0.0000000 0.0937500 0.3750000), wk = 0.0014648
|
|
k( 88) = ( 0.0000000 0.0937500 0.4062500), wk = 0.0014648
|
|
k( 89) = ( 0.0000000 0.0937500 0.4375000), wk = 0.0014648
|
|
k( 90) = ( 0.0000000 0.0937500 0.4687500), wk = 0.0014648
|
|
k( 91) = ( 0.0000000 0.0937500 -0.5000000), wk = 0.0014648
|
|
k( 92) = ( 0.0000000 0.0937500 -0.4687500), wk = 0.0014648
|
|
k( 93) = ( 0.0000000 0.0937500 -0.4375000), wk = 0.0014648
|
|
k( 94) = ( 0.0000000 0.0937500 -0.4062500), wk = 0.0014648
|
|
k( 95) = ( 0.0000000 0.0937500 -0.3750000), wk = 0.0014648
|
|
k( 96) = ( 0.0000000 0.0937500 -0.3437500), wk = 0.0014648
|
|
k( 97) = ( 0.0000000 0.0937500 -0.3125000), wk = 0.0014648
|
|
k( 98) = ( 0.0000000 0.0937500 -0.2812500), wk = 0.0014648
|
|
k( 99) = ( 0.0000000 0.0937500 -0.2500000), wk = 0.0014648
|
|
k( 100) = ( 0.0000000 0.0937500 -0.2187500), wk = 0.0014648
|
|
k( 101) = ( 0.0000000 0.0937500 -0.1875000), wk = 0.0014648
|
|
k( 102) = ( 0.0000000 0.0937500 -0.1562500), wk = 0.0014648
|
|
k( 103) = ( 0.0000000 0.0937500 -0.1250000), wk = 0.0014648
|
|
k( 104) = ( 0.0000000 0.0937500 -0.0937500), wk = 0.0007324
|
|
k( 105) = ( 0.0000000 0.1250000 0.1250000), wk = 0.0003662
|
|
k( 106) = ( 0.0000000 0.1250000 0.1562500), wk = 0.0014648
|
|
k( 107) = ( 0.0000000 0.1250000 0.1875000), wk = 0.0014648
|
|
k( 108) = ( 0.0000000 0.1250000 0.2187500), wk = 0.0014648
|
|
k( 109) = ( 0.0000000 0.1250000 0.2500000), wk = 0.0014648
|
|
k( 110) = ( 0.0000000 0.1250000 0.2812500), wk = 0.0014648
|
|
k( 111) = ( 0.0000000 0.1250000 0.3125000), wk = 0.0014648
|
|
k( 112) = ( 0.0000000 0.1250000 0.3437500), wk = 0.0014648
|
|
k( 113) = ( 0.0000000 0.1250000 0.3750000), wk = 0.0014648
|
|
k( 114) = ( 0.0000000 0.1250000 0.4062500), wk = 0.0014648
|
|
k( 115) = ( 0.0000000 0.1250000 0.4375000), wk = 0.0014648
|
|
k( 116) = ( 0.0000000 0.1250000 0.4687500), wk = 0.0014648
|
|
k( 117) = ( 0.0000000 0.1250000 -0.5000000), wk = 0.0014648
|
|
k( 118) = ( 0.0000000 0.1250000 -0.4687500), wk = 0.0014648
|
|
k( 119) = ( 0.0000000 0.1250000 -0.4375000), wk = 0.0014648
|
|
k( 120) = ( 0.0000000 0.1250000 -0.4062500), wk = 0.0014648
|
|
k( 121) = ( 0.0000000 0.1250000 -0.3750000), wk = 0.0014648
|
|
k( 122) = ( 0.0000000 0.1250000 -0.3437500), wk = 0.0014648
|
|
k( 123) = ( 0.0000000 0.1250000 -0.3125000), wk = 0.0014648
|
|
k( 124) = ( 0.0000000 0.1250000 -0.2812500), wk = 0.0014648
|
|
k( 125) = ( 0.0000000 0.1250000 -0.2500000), wk = 0.0014648
|
|
k( 126) = ( 0.0000000 0.1250000 -0.2187500), wk = 0.0014648
|
|
k( 127) = ( 0.0000000 0.1250000 -0.1875000), wk = 0.0014648
|
|
k( 128) = ( 0.0000000 0.1250000 -0.1562500), wk = 0.0014648
|
|
k( 129) = ( 0.0000000 0.1250000 -0.1250000), wk = 0.0007324
|
|
k( 130) = ( 0.0000000 0.1562500 0.1562500), wk = 0.0003662
|
|
k( 131) = ( 0.0000000 0.1562500 0.1875000), wk = 0.0014648
|
|
k( 132) = ( 0.0000000 0.1562500 0.2187500), wk = 0.0014648
|
|
k( 133) = ( 0.0000000 0.1562500 0.2500000), wk = 0.0014648
|
|
k( 134) = ( 0.0000000 0.1562500 0.2812500), wk = 0.0014648
|
|
k( 135) = ( 0.0000000 0.1562500 0.3125000), wk = 0.0014648
|
|
k( 136) = ( 0.0000000 0.1562500 0.3437500), wk = 0.0014648
|
|
k( 137) = ( 0.0000000 0.1562500 0.3750000), wk = 0.0014648
|
|
k( 138) = ( 0.0000000 0.1562500 0.4062500), wk = 0.0014648
|
|
k( 139) = ( 0.0000000 0.1562500 0.4375000), wk = 0.0014648
|
|
k( 140) = ( 0.0000000 0.1562500 0.4687500), wk = 0.0014648
|
|
k( 141) = ( 0.0000000 0.1562500 -0.5000000), wk = 0.0014648
|
|
k( 142) = ( 0.0000000 0.1562500 -0.4687500), wk = 0.0014648
|
|
k( 143) = ( 0.0000000 0.1562500 -0.4375000), wk = 0.0014648
|
|
k( 144) = ( 0.0000000 0.1562500 -0.4062500), wk = 0.0014648
|
|
k( 145) = ( 0.0000000 0.1562500 -0.3750000), wk = 0.0014648
|
|
k( 146) = ( 0.0000000 0.1562500 -0.3437500), wk = 0.0014648
|
|
k( 147) = ( 0.0000000 0.1562500 -0.3125000), wk = 0.0014648
|
|
k( 148) = ( 0.0000000 0.1562500 -0.2812500), wk = 0.0014648
|
|
k( 149) = ( 0.0000000 0.1562500 -0.2500000), wk = 0.0014648
|
|
k( 150) = ( 0.0000000 0.1562500 -0.2187500), wk = 0.0014648
|
|
k( 151) = ( 0.0000000 0.1562500 -0.1875000), wk = 0.0014648
|
|
k( 152) = ( 0.0000000 0.1562500 -0.1562500), wk = 0.0007324
|
|
k( 153) = ( 0.0000000 0.1875000 0.1875000), wk = 0.0003662
|
|
k( 154) = ( 0.0000000 0.1875000 0.2187500), wk = 0.0014648
|
|
k( 155) = ( 0.0000000 0.1875000 0.2500000), wk = 0.0014648
|
|
k( 156) = ( 0.0000000 0.1875000 0.2812500), wk = 0.0014648
|
|
k( 157) = ( 0.0000000 0.1875000 0.3125000), wk = 0.0014648
|
|
k( 158) = ( 0.0000000 0.1875000 0.3437500), wk = 0.0014648
|
|
k( 159) = ( 0.0000000 0.1875000 0.3750000), wk = 0.0014648
|
|
k( 160) = ( 0.0000000 0.1875000 0.4062500), wk = 0.0014648
|
|
k( 161) = ( 0.0000000 0.1875000 0.4375000), wk = 0.0014648
|
|
k( 162) = ( 0.0000000 0.1875000 0.4687500), wk = 0.0014648
|
|
k( 163) = ( 0.0000000 0.1875000 -0.5000000), wk = 0.0014648
|
|
k( 164) = ( 0.0000000 0.1875000 -0.4687500), wk = 0.0014648
|
|
k( 165) = ( 0.0000000 0.1875000 -0.4375000), wk = 0.0014648
|
|
k( 166) = ( 0.0000000 0.1875000 -0.4062500), wk = 0.0014648
|
|
k( 167) = ( 0.0000000 0.1875000 -0.3750000), wk = 0.0014648
|
|
k( 168) = ( 0.0000000 0.1875000 -0.3437500), wk = 0.0014648
|
|
k( 169) = ( 0.0000000 0.1875000 -0.3125000), wk = 0.0014648
|
|
k( 170) = ( 0.0000000 0.1875000 -0.2812500), wk = 0.0014648
|
|
k( 171) = ( 0.0000000 0.1875000 -0.2500000), wk = 0.0014648
|
|
k( 172) = ( 0.0000000 0.1875000 -0.2187500), wk = 0.0014648
|
|
k( 173) = ( 0.0000000 0.1875000 -0.1875000), wk = 0.0007324
|
|
k( 174) = ( 0.0000000 0.2187500 0.2187500), wk = 0.0003662
|
|
k( 175) = ( 0.0000000 0.2187500 0.2500000), wk = 0.0014648
|
|
k( 176) = ( 0.0000000 0.2187500 0.2812500), wk = 0.0014648
|
|
k( 177) = ( 0.0000000 0.2187500 0.3125000), wk = 0.0014648
|
|
k( 178) = ( 0.0000000 0.2187500 0.3437500), wk = 0.0014648
|
|
k( 179) = ( 0.0000000 0.2187500 0.3750000), wk = 0.0014648
|
|
k( 180) = ( 0.0000000 0.2187500 0.4062500), wk = 0.0014648
|
|
k( 181) = ( 0.0000000 0.2187500 0.4375000), wk = 0.0014648
|
|
k( 182) = ( 0.0000000 0.2187500 0.4687500), wk = 0.0014648
|
|
k( 183) = ( 0.0000000 0.2187500 -0.5000000), wk = 0.0014648
|
|
k( 184) = ( 0.0000000 0.2187500 -0.4687500), wk = 0.0014648
|
|
k( 185) = ( 0.0000000 0.2187500 -0.4375000), wk = 0.0014648
|
|
k( 186) = ( 0.0000000 0.2187500 -0.4062500), wk = 0.0014648
|
|
k( 187) = ( 0.0000000 0.2187500 -0.3750000), wk = 0.0014648
|
|
k( 188) = ( 0.0000000 0.2187500 -0.3437500), wk = 0.0014648
|
|
k( 189) = ( 0.0000000 0.2187500 -0.3125000), wk = 0.0014648
|
|
k( 190) = ( 0.0000000 0.2187500 -0.2812500), wk = 0.0014648
|
|
k( 191) = ( 0.0000000 0.2187500 -0.2500000), wk = 0.0014648
|
|
k( 192) = ( 0.0000000 0.2187500 -0.2187500), wk = 0.0007324
|
|
k( 193) = ( 0.0000000 0.2500000 0.2500000), wk = 0.0003662
|
|
k( 194) = ( 0.0000000 0.2500000 0.2812500), wk = 0.0014648
|
|
k( 195) = ( 0.0000000 0.2500000 0.3125000), wk = 0.0014648
|
|
k( 196) = ( 0.0000000 0.2500000 0.3437500), wk = 0.0014648
|
|
k( 197) = ( 0.0000000 0.2500000 0.3750000), wk = 0.0014648
|
|
k( 198) = ( 0.0000000 0.2500000 0.4062500), wk = 0.0014648
|
|
k( 199) = ( 0.0000000 0.2500000 0.4375000), wk = 0.0014648
|
|
k( 200) = ( 0.0000000 0.2500000 0.4687500), wk = 0.0014648
|
|
k( 201) = ( 0.0000000 0.2500000 -0.5000000), wk = 0.0014648
|
|
k( 202) = ( 0.0000000 0.2500000 -0.4687500), wk = 0.0014648
|
|
k( 203) = ( 0.0000000 0.2500000 -0.4375000), wk = 0.0014648
|
|
k( 204) = ( 0.0000000 0.2500000 -0.4062500), wk = 0.0014648
|
|
k( 205) = ( 0.0000000 0.2500000 -0.3750000), wk = 0.0014648
|
|
k( 206) = ( 0.0000000 0.2500000 -0.3437500), wk = 0.0014648
|
|
k( 207) = ( 0.0000000 0.2500000 -0.3125000), wk = 0.0014648
|
|
k( 208) = ( 0.0000000 0.2500000 -0.2812500), wk = 0.0014648
|
|
k( 209) = ( 0.0000000 0.2500000 -0.2500000), wk = 0.0007324
|
|
k( 210) = ( 0.0000000 0.2812500 0.2812500), wk = 0.0003662
|
|
k( 211) = ( 0.0000000 0.2812500 0.3125000), wk = 0.0014648
|
|
k( 212) = ( 0.0000000 0.2812500 0.3437500), wk = 0.0014648
|
|
k( 213) = ( 0.0000000 0.2812500 0.3750000), wk = 0.0014648
|
|
k( 214) = ( 0.0000000 0.2812500 0.4062500), wk = 0.0014648
|
|
k( 215) = ( 0.0000000 0.2812500 0.4375000), wk = 0.0014648
|
|
k( 216) = ( 0.0000000 0.2812500 0.4687500), wk = 0.0014648
|
|
k( 217) = ( 0.0000000 0.2812500 -0.5000000), wk = 0.0014648
|
|
k( 218) = ( 0.0000000 0.2812500 -0.4687500), wk = 0.0014648
|
|
k( 219) = ( 0.0000000 0.2812500 -0.4375000), wk = 0.0014648
|
|
k( 220) = ( 0.0000000 0.2812500 -0.4062500), wk = 0.0014648
|
|
k( 221) = ( 0.0000000 0.2812500 -0.3750000), wk = 0.0014648
|
|
k( 222) = ( 0.0000000 0.2812500 -0.3437500), wk = 0.0014648
|
|
k( 223) = ( 0.0000000 0.2812500 -0.3125000), wk = 0.0014648
|
|
k( 224) = ( 0.0000000 0.2812500 -0.2812500), wk = 0.0007324
|
|
k( 225) = ( 0.0000000 0.3125000 0.3125000), wk = 0.0003662
|
|
k( 226) = ( 0.0000000 0.3125000 0.3437500), wk = 0.0014648
|
|
k( 227) = ( 0.0000000 0.3125000 0.3750000), wk = 0.0014648
|
|
k( 228) = ( 0.0000000 0.3125000 0.4062500), wk = 0.0014648
|
|
k( 229) = ( 0.0000000 0.3125000 0.4375000), wk = 0.0014648
|
|
k( 230) = ( 0.0000000 0.3125000 0.4687500), wk = 0.0014648
|
|
k( 231) = ( 0.0000000 0.3125000 -0.5000000), wk = 0.0014648
|
|
k( 232) = ( 0.0000000 0.3125000 -0.4687500), wk = 0.0014648
|
|
k( 233) = ( 0.0000000 0.3125000 -0.4375000), wk = 0.0014648
|
|
k( 234) = ( 0.0000000 0.3125000 -0.4062500), wk = 0.0014648
|
|
k( 235) = ( 0.0000000 0.3125000 -0.3750000), wk = 0.0014648
|
|
k( 236) = ( 0.0000000 0.3125000 -0.3437500), wk = 0.0014648
|
|
k( 237) = ( 0.0000000 0.3125000 -0.3125000), wk = 0.0007324
|
|
k( 238) = ( 0.0000000 0.3437500 0.3437500), wk = 0.0003662
|
|
k( 239) = ( 0.0000000 0.3437500 0.3750000), wk = 0.0014648
|
|
k( 240) = ( 0.0000000 0.3437500 0.4062500), wk = 0.0014648
|
|
k( 241) = ( 0.0000000 0.3437500 0.4375000), wk = 0.0014648
|
|
k( 242) = ( 0.0000000 0.3437500 0.4687500), wk = 0.0014648
|
|
k( 243) = ( 0.0000000 0.3437500 -0.5000000), wk = 0.0014648
|
|
k( 244) = ( 0.0000000 0.3437500 -0.4687500), wk = 0.0014648
|
|
k( 245) = ( 0.0000000 0.3437500 -0.4375000), wk = 0.0014648
|
|
k( 246) = ( 0.0000000 0.3437500 -0.4062500), wk = 0.0014648
|
|
k( 247) = ( 0.0000000 0.3437500 -0.3750000), wk = 0.0014648
|
|
k( 248) = ( 0.0000000 0.3437500 -0.3437500), wk = 0.0007324
|
|
k( 249) = ( 0.0000000 0.3750000 0.3750000), wk = 0.0003662
|
|
k( 250) = ( 0.0000000 0.3750000 0.4062500), wk = 0.0014648
|
|
k( 251) = ( 0.0000000 0.3750000 0.4375000), wk = 0.0014648
|
|
k( 252) = ( 0.0000000 0.3750000 0.4687500), wk = 0.0014648
|
|
k( 253) = ( 0.0000000 0.3750000 -0.5000000), wk = 0.0014648
|
|
k( 254) = ( 0.0000000 0.3750000 -0.4687500), wk = 0.0014648
|
|
k( 255) = ( 0.0000000 0.3750000 -0.4375000), wk = 0.0014648
|
|
k( 256) = ( 0.0000000 0.3750000 -0.4062500), wk = 0.0014648
|
|
k( 257) = ( 0.0000000 0.3750000 -0.3750000), wk = 0.0007324
|
|
k( 258) = ( 0.0000000 0.4062500 0.4062500), wk = 0.0003662
|
|
k( 259) = ( 0.0000000 0.4062500 0.4375000), wk = 0.0014648
|
|
k( 260) = ( 0.0000000 0.4062500 0.4687500), wk = 0.0014648
|
|
k( 261) = ( 0.0000000 0.4062500 -0.5000000), wk = 0.0014648
|
|
k( 262) = ( 0.0000000 0.4062500 -0.4687500), wk = 0.0014648
|
|
k( 263) = ( 0.0000000 0.4062500 -0.4375000), wk = 0.0014648
|
|
k( 264) = ( 0.0000000 0.4062500 -0.4062500), wk = 0.0007324
|
|
k( 265) = ( 0.0000000 0.4375000 0.4375000), wk = 0.0003662
|
|
k( 266) = ( 0.0000000 0.4375000 0.4687500), wk = 0.0014648
|
|
k( 267) = ( 0.0000000 0.4375000 -0.5000000), wk = 0.0014648
|
|
k( 268) = ( 0.0000000 0.4375000 -0.4687500), wk = 0.0014648
|
|
k( 269) = ( 0.0000000 0.4375000 -0.4375000), wk = 0.0007324
|
|
k( 270) = ( 0.0000000 0.4687500 0.4687500), wk = 0.0003662
|
|
k( 271) = ( 0.0000000 0.4687500 -0.5000000), wk = 0.0014648
|
|
k( 272) = ( 0.0000000 0.4687500 -0.4687500), wk = 0.0007324
|
|
k( 273) = ( 0.0000000 -0.5000000 -0.5000000), wk = 0.0001831
|
|
k( 274) = ( 0.0312500 0.0625000 0.0937500), wk = 0.0014648
|
|
k( 275) = ( 0.0312500 0.0625000 0.1250000), wk = 0.0029297
|
|
k( 276) = ( 0.0312500 0.0625000 0.1562500), wk = 0.0029297
|
|
k( 277) = ( 0.0312500 0.0625000 0.1875000), wk = 0.0029297
|
|
k( 278) = ( 0.0312500 0.0625000 0.2187500), wk = 0.0029297
|
|
k( 279) = ( 0.0312500 0.0625000 0.2500000), wk = 0.0029297
|
|
k( 280) = ( 0.0312500 0.0625000 0.2812500), wk = 0.0029297
|
|
k( 281) = ( 0.0312500 0.0625000 0.3125000), wk = 0.0029297
|
|
k( 282) = ( 0.0312500 0.0625000 0.3437500), wk = 0.0029297
|
|
k( 283) = ( 0.0312500 0.0625000 0.3750000), wk = 0.0029297
|
|
k( 284) = ( 0.0312500 0.0625000 0.4062500), wk = 0.0029297
|
|
k( 285) = ( 0.0312500 0.0625000 0.4375000), wk = 0.0029297
|
|
k( 286) = ( 0.0312500 0.0625000 0.4687500), wk = 0.0029297
|
|
k( 287) = ( 0.0312500 0.0625000 -0.5000000), wk = 0.0029297
|
|
k( 288) = ( 0.0312500 0.0625000 -0.4687500), wk = 0.0014648
|
|
k( 289) = ( 0.0312500 0.0937500 0.1250000), wk = 0.0014648
|
|
k( 290) = ( 0.0312500 0.0937500 0.1562500), wk = 0.0029297
|
|
k( 291) = ( 0.0312500 0.0937500 0.1875000), wk = 0.0029297
|
|
k( 292) = ( 0.0312500 0.0937500 0.2187500), wk = 0.0029297
|
|
k( 293) = ( 0.0312500 0.0937500 0.2500000), wk = 0.0029297
|
|
k( 294) = ( 0.0312500 0.0937500 0.2812500), wk = 0.0029297
|
|
k( 295) = ( 0.0312500 0.0937500 0.3125000), wk = 0.0029297
|
|
k( 296) = ( 0.0312500 0.0937500 0.3437500), wk = 0.0029297
|
|
k( 297) = ( 0.0312500 0.0937500 0.3750000), wk = 0.0029297
|
|
k( 298) = ( 0.0312500 0.0937500 0.4062500), wk = 0.0029297
|
|
k( 299) = ( 0.0312500 0.0937500 0.4375000), wk = 0.0029297
|
|
k( 300) = ( 0.0312500 0.0937500 0.4687500), wk = 0.0029297
|
|
k( 301) = ( 0.0312500 0.0937500 -0.5000000), wk = 0.0029297
|
|
k( 302) = ( 0.0312500 0.0937500 -0.4687500), wk = 0.0029297
|
|
k( 303) = ( 0.0312500 0.0937500 -0.4375000), wk = 0.0029297
|
|
k( 304) = ( 0.0312500 0.0937500 -0.4062500), wk = 0.0029297
|
|
k( 305) = ( 0.0312500 0.0937500 -0.3750000), wk = 0.0029297
|
|
k( 306) = ( 0.0312500 0.0937500 -0.3437500), wk = 0.0029297
|
|
k( 307) = ( 0.0312500 0.0937500 -0.3125000), wk = 0.0029297
|
|
k( 308) = ( 0.0312500 0.0937500 -0.2812500), wk = 0.0029297
|
|
k( 309) = ( 0.0312500 0.0937500 -0.2500000), wk = 0.0029297
|
|
k( 310) = ( 0.0312500 0.0937500 -0.2187500), wk = 0.0029297
|
|
k( 311) = ( 0.0312500 0.0937500 -0.1875000), wk = 0.0029297
|
|
k( 312) = ( 0.0312500 0.0937500 -0.1562500), wk = 0.0029297
|
|
k( 313) = ( 0.0312500 0.0937500 -0.1250000), wk = 0.0029297
|
|
k( 314) = ( 0.0312500 0.0937500 -0.0937500), wk = 0.0029297
|
|
k( 315) = ( 0.0312500 0.0937500 -0.0625000), wk = 0.0014648
|
|
k( 316) = ( 0.0312500 0.1250000 0.1562500), wk = 0.0014648
|
|
k( 317) = ( 0.0312500 0.1250000 0.1875000), wk = 0.0029297
|
|
k( 318) = ( 0.0312500 0.1250000 0.2187500), wk = 0.0029297
|
|
k( 319) = ( 0.0312500 0.1250000 0.2500000), wk = 0.0029297
|
|
k( 320) = ( 0.0312500 0.1250000 0.2812500), wk = 0.0029297
|
|
k( 321) = ( 0.0312500 0.1250000 0.3125000), wk = 0.0029297
|
|
k( 322) = ( 0.0312500 0.1250000 0.3437500), wk = 0.0029297
|
|
k( 323) = ( 0.0312500 0.1250000 0.3750000), wk = 0.0029297
|
|
k( 324) = ( 0.0312500 0.1250000 0.4062500), wk = 0.0029297
|
|
k( 325) = ( 0.0312500 0.1250000 0.4375000), wk = 0.0029297
|
|
k( 326) = ( 0.0312500 0.1250000 0.4687500), wk = 0.0029297
|
|
k( 327) = ( 0.0312500 0.1250000 -0.5000000), wk = 0.0029297
|
|
k( 328) = ( 0.0312500 0.1250000 -0.4687500), wk = 0.0029297
|
|
k( 329) = ( 0.0312500 0.1250000 -0.4375000), wk = 0.0029297
|
|
k( 330) = ( 0.0312500 0.1250000 -0.4062500), wk = 0.0029297
|
|
k( 331) = ( 0.0312500 0.1250000 -0.3750000), wk = 0.0029297
|
|
k( 332) = ( 0.0312500 0.1250000 -0.3437500), wk = 0.0029297
|
|
k( 333) = ( 0.0312500 0.1250000 -0.3125000), wk = 0.0029297
|
|
k( 334) = ( 0.0312500 0.1250000 -0.2812500), wk = 0.0029297
|
|
k( 335) = ( 0.0312500 0.1250000 -0.2500000), wk = 0.0029297
|
|
k( 336) = ( 0.0312500 0.1250000 -0.2187500), wk = 0.0029297
|
|
k( 337) = ( 0.0312500 0.1250000 -0.1875000), wk = 0.0029297
|
|
k( 338) = ( 0.0312500 0.1250000 -0.1562500), wk = 0.0029297
|
|
k( 339) = ( 0.0312500 0.1250000 -0.1250000), wk = 0.0029297
|
|
k( 340) = ( 0.0312500 0.1250000 -0.0937500), wk = 0.0014648
|
|
k( 341) = ( 0.0312500 0.1562500 0.1875000), wk = 0.0014648
|
|
k( 342) = ( 0.0312500 0.1562500 0.2187500), wk = 0.0029297
|
|
k( 343) = ( 0.0312500 0.1562500 0.2500000), wk = 0.0029297
|
|
k( 344) = ( 0.0312500 0.1562500 0.2812500), wk = 0.0029297
|
|
k( 345) = ( 0.0312500 0.1562500 0.3125000), wk = 0.0029297
|
|
k( 346) = ( 0.0312500 0.1562500 0.3437500), wk = 0.0029297
|
|
k( 347) = ( 0.0312500 0.1562500 0.3750000), wk = 0.0029297
|
|
k( 348) = ( 0.0312500 0.1562500 0.4062500), wk = 0.0029297
|
|
k( 349) = ( 0.0312500 0.1562500 0.4375000), wk = 0.0029297
|
|
k( 350) = ( 0.0312500 0.1562500 0.4687500), wk = 0.0029297
|
|
k( 351) = ( 0.0312500 0.1562500 -0.5000000), wk = 0.0029297
|
|
k( 352) = ( 0.0312500 0.1562500 -0.4687500), wk = 0.0029297
|
|
k( 353) = ( 0.0312500 0.1562500 -0.4375000), wk = 0.0029297
|
|
k( 354) = ( 0.0312500 0.1562500 -0.4062500), wk = 0.0029297
|
|
k( 355) = ( 0.0312500 0.1562500 -0.3750000), wk = 0.0029297
|
|
k( 356) = ( 0.0312500 0.1562500 -0.3437500), wk = 0.0029297
|
|
k( 357) = ( 0.0312500 0.1562500 -0.3125000), wk = 0.0029297
|
|
k( 358) = ( 0.0312500 0.1562500 -0.2812500), wk = 0.0029297
|
|
k( 359) = ( 0.0312500 0.1562500 -0.2500000), wk = 0.0029297
|
|
k( 360) = ( 0.0312500 0.1562500 -0.2187500), wk = 0.0029297
|
|
k( 361) = ( 0.0312500 0.1562500 -0.1875000), wk = 0.0029297
|
|
k( 362) = ( 0.0312500 0.1562500 -0.1562500), wk = 0.0029297
|
|
k( 363) = ( 0.0312500 0.1562500 -0.1250000), wk = 0.0014648
|
|
k( 364) = ( 0.0312500 0.1875000 0.2187500), wk = 0.0014648
|
|
k( 365) = ( 0.0312500 0.1875000 0.2500000), wk = 0.0029297
|
|
k( 366) = ( 0.0312500 0.1875000 0.2812500), wk = 0.0029297
|
|
k( 367) = ( 0.0312500 0.1875000 0.3125000), wk = 0.0029297
|
|
k( 368) = ( 0.0312500 0.1875000 0.3437500), wk = 0.0029297
|
|
k( 369) = ( 0.0312500 0.1875000 0.3750000), wk = 0.0029297
|
|
k( 370) = ( 0.0312500 0.1875000 0.4062500), wk = 0.0029297
|
|
k( 371) = ( 0.0312500 0.1875000 0.4375000), wk = 0.0029297
|
|
k( 372) = ( 0.0312500 0.1875000 0.4687500), wk = 0.0029297
|
|
k( 373) = ( 0.0312500 0.1875000 -0.5000000), wk = 0.0029297
|
|
k( 374) = ( 0.0312500 0.1875000 -0.4687500), wk = 0.0029297
|
|
k( 375) = ( 0.0312500 0.1875000 -0.4375000), wk = 0.0029297
|
|
k( 376) = ( 0.0312500 0.1875000 -0.4062500), wk = 0.0029297
|
|
k( 377) = ( 0.0312500 0.1875000 -0.3750000), wk = 0.0029297
|
|
k( 378) = ( 0.0312500 0.1875000 -0.3437500), wk = 0.0029297
|
|
k( 379) = ( 0.0312500 0.1875000 -0.3125000), wk = 0.0029297
|
|
k( 380) = ( 0.0312500 0.1875000 -0.2812500), wk = 0.0029297
|
|
k( 381) = ( 0.0312500 0.1875000 -0.2500000), wk = 0.0029297
|
|
k( 382) = ( 0.0312500 0.1875000 -0.2187500), wk = 0.0029297
|
|
k( 383) = ( 0.0312500 0.1875000 -0.1875000), wk = 0.0029297
|
|
k( 384) = ( 0.0312500 0.1875000 -0.1562500), wk = 0.0014648
|
|
k( 385) = ( 0.0312500 0.2187500 0.2500000), wk = 0.0014648
|
|
k( 386) = ( 0.0312500 0.2187500 0.2812500), wk = 0.0029297
|
|
k( 387) = ( 0.0312500 0.2187500 0.3125000), wk = 0.0029297
|
|
k( 388) = ( 0.0312500 0.2187500 0.3437500), wk = 0.0029297
|
|
k( 389) = ( 0.0312500 0.2187500 0.3750000), wk = 0.0029297
|
|
k( 390) = ( 0.0312500 0.2187500 0.4062500), wk = 0.0029297
|
|
k( 391) = ( 0.0312500 0.2187500 0.4375000), wk = 0.0029297
|
|
k( 392) = ( 0.0312500 0.2187500 0.4687500), wk = 0.0029297
|
|
k( 393) = ( 0.0312500 0.2187500 -0.5000000), wk = 0.0029297
|
|
k( 394) = ( 0.0312500 0.2187500 -0.4687500), wk = 0.0029297
|
|
k( 395) = ( 0.0312500 0.2187500 -0.4375000), wk = 0.0029297
|
|
k( 396) = ( 0.0312500 0.2187500 -0.4062500), wk = 0.0029297
|
|
k( 397) = ( 0.0312500 0.2187500 -0.3750000), wk = 0.0029297
|
|
k( 398) = ( 0.0312500 0.2187500 -0.3437500), wk = 0.0029297
|
|
k( 399) = ( 0.0312500 0.2187500 -0.3125000), wk = 0.0029297
|
|
k( 400) = ( 0.0312500 0.2187500 -0.2812500), wk = 0.0029297
|
|
k( 401) = ( 0.0312500 0.2187500 -0.2500000), wk = 0.0029297
|
|
k( 402) = ( 0.0312500 0.2187500 -0.2187500), wk = 0.0029297
|
|
k( 403) = ( 0.0312500 0.2187500 -0.1875000), wk = 0.0014648
|
|
k( 404) = ( 0.0312500 0.2500000 0.2812500), wk = 0.0014648
|
|
k( 405) = ( 0.0312500 0.2500000 0.3125000), wk = 0.0029297
|
|
k( 406) = ( 0.0312500 0.2500000 0.3437500), wk = 0.0029297
|
|
k( 407) = ( 0.0312500 0.2500000 0.3750000), wk = 0.0029297
|
|
k( 408) = ( 0.0312500 0.2500000 0.4062500), wk = 0.0029297
|
|
k( 409) = ( 0.0312500 0.2500000 0.4375000), wk = 0.0029297
|
|
k( 410) = ( 0.0312500 0.2500000 0.4687500), wk = 0.0029297
|
|
k( 411) = ( 0.0312500 0.2500000 -0.5000000), wk = 0.0029297
|
|
k( 412) = ( 0.0312500 0.2500000 -0.4687500), wk = 0.0029297
|
|
k( 413) = ( 0.0312500 0.2500000 -0.4375000), wk = 0.0029297
|
|
k( 414) = ( 0.0312500 0.2500000 -0.4062500), wk = 0.0029297
|
|
k( 415) = ( 0.0312500 0.2500000 -0.3750000), wk = 0.0029297
|
|
k( 416) = ( 0.0312500 0.2500000 -0.3437500), wk = 0.0029297
|
|
k( 417) = ( 0.0312500 0.2500000 -0.3125000), wk = 0.0029297
|
|
k( 418) = ( 0.0312500 0.2500000 -0.2812500), wk = 0.0029297
|
|
k( 419) = ( 0.0312500 0.2500000 -0.2500000), wk = 0.0029297
|
|
k( 420) = ( 0.0312500 0.2500000 -0.2187500), wk = 0.0014648
|
|
k( 421) = ( 0.0312500 0.2812500 0.3125000), wk = 0.0014648
|
|
k( 422) = ( 0.0312500 0.2812500 0.3437500), wk = 0.0029297
|
|
k( 423) = ( 0.0312500 0.2812500 0.3750000), wk = 0.0029297
|
|
k( 424) = ( 0.0312500 0.2812500 0.4062500), wk = 0.0029297
|
|
k( 425) = ( 0.0312500 0.2812500 0.4375000), wk = 0.0029297
|
|
k( 426) = ( 0.0312500 0.2812500 0.4687500), wk = 0.0029297
|
|
k( 427) = ( 0.0312500 0.2812500 -0.5000000), wk = 0.0029297
|
|
k( 428) = ( 0.0312500 0.2812500 -0.4687500), wk = 0.0029297
|
|
k( 429) = ( 0.0312500 0.2812500 -0.4375000), wk = 0.0029297
|
|
k( 430) = ( 0.0312500 0.2812500 -0.4062500), wk = 0.0029297
|
|
k( 431) = ( 0.0312500 0.2812500 -0.3750000), wk = 0.0029297
|
|
k( 432) = ( 0.0312500 0.2812500 -0.3437500), wk = 0.0029297
|
|
k( 433) = ( 0.0312500 0.2812500 -0.3125000), wk = 0.0029297
|
|
k( 434) = ( 0.0312500 0.2812500 -0.2812500), wk = 0.0029297
|
|
k( 435) = ( 0.0312500 0.2812500 -0.2500000), wk = 0.0014648
|
|
k( 436) = ( 0.0312500 0.3125000 0.3437500), wk = 0.0014648
|
|
k( 437) = ( 0.0312500 0.3125000 0.3750000), wk = 0.0029297
|
|
k( 438) = ( 0.0312500 0.3125000 0.4062500), wk = 0.0029297
|
|
k( 439) = ( 0.0312500 0.3125000 0.4375000), wk = 0.0029297
|
|
k( 440) = ( 0.0312500 0.3125000 0.4687500), wk = 0.0029297
|
|
k( 441) = ( 0.0312500 0.3125000 -0.5000000), wk = 0.0029297
|
|
k( 442) = ( 0.0312500 0.3125000 -0.4687500), wk = 0.0029297
|
|
k( 443) = ( 0.0312500 0.3125000 -0.4375000), wk = 0.0029297
|
|
k( 444) = ( 0.0312500 0.3125000 -0.4062500), wk = 0.0029297
|
|
k( 445) = ( 0.0312500 0.3125000 -0.3750000), wk = 0.0029297
|
|
k( 446) = ( 0.0312500 0.3125000 -0.3437500), wk = 0.0029297
|
|
k( 447) = ( 0.0312500 0.3125000 -0.3125000), wk = 0.0029297
|
|
k( 448) = ( 0.0312500 0.3125000 -0.2812500), wk = 0.0014648
|
|
k( 449) = ( 0.0312500 0.3437500 0.3750000), wk = 0.0014648
|
|
k( 450) = ( 0.0312500 0.3437500 0.4062500), wk = 0.0029297
|
|
k( 451) = ( 0.0312500 0.3437500 0.4375000), wk = 0.0029297
|
|
k( 452) = ( 0.0312500 0.3437500 0.4687500), wk = 0.0029297
|
|
k( 453) = ( 0.0312500 0.3437500 -0.5000000), wk = 0.0029297
|
|
k( 454) = ( 0.0312500 0.3437500 -0.4687500), wk = 0.0029297
|
|
k( 455) = ( 0.0312500 0.3437500 -0.4375000), wk = 0.0029297
|
|
k( 456) = ( 0.0312500 0.3437500 -0.4062500), wk = 0.0029297
|
|
k( 457) = ( 0.0312500 0.3437500 -0.3750000), wk = 0.0029297
|
|
k( 458) = ( 0.0312500 0.3437500 -0.3437500), wk = 0.0029297
|
|
k( 459) = ( 0.0312500 0.3437500 -0.3125000), wk = 0.0014648
|
|
k( 460) = ( 0.0312500 0.3750000 0.4062500), wk = 0.0014648
|
|
k( 461) = ( 0.0312500 0.3750000 0.4375000), wk = 0.0029297
|
|
k( 462) = ( 0.0312500 0.3750000 0.4687500), wk = 0.0029297
|
|
k( 463) = ( 0.0312500 0.3750000 -0.5000000), wk = 0.0029297
|
|
k( 464) = ( 0.0312500 0.3750000 -0.4687500), wk = 0.0029297
|
|
k( 465) = ( 0.0312500 0.3750000 -0.4375000), wk = 0.0029297
|
|
k( 466) = ( 0.0312500 0.3750000 -0.4062500), wk = 0.0029297
|
|
k( 467) = ( 0.0312500 0.3750000 -0.3750000), wk = 0.0029297
|
|
k( 468) = ( 0.0312500 0.3750000 -0.3437500), wk = 0.0014648
|
|
k( 469) = ( 0.0312500 0.4062500 0.4375000), wk = 0.0014648
|
|
k( 470) = ( 0.0312500 0.4062500 0.4687500), wk = 0.0029297
|
|
k( 471) = ( 0.0312500 0.4062500 -0.5000000), wk = 0.0029297
|
|
k( 472) = ( 0.0312500 0.4062500 -0.4687500), wk = 0.0029297
|
|
k( 473) = ( 0.0312500 0.4062500 -0.4375000), wk = 0.0029297
|
|
k( 474) = ( 0.0312500 0.4062500 -0.4062500), wk = 0.0029297
|
|
k( 475) = ( 0.0312500 0.4062500 -0.3750000), wk = 0.0014648
|
|
k( 476) = ( 0.0312500 0.4375000 0.4687500), wk = 0.0014648
|
|
k( 477) = ( 0.0312500 0.4375000 -0.5000000), wk = 0.0029297
|
|
k( 478) = ( 0.0312500 0.4375000 -0.4687500), wk = 0.0029297
|
|
k( 479) = ( 0.0312500 0.4375000 -0.4375000), wk = 0.0029297
|
|
k( 480) = ( 0.0312500 0.4375000 -0.4062500), wk = 0.0014648
|
|
k( 481) = ( 0.0312500 0.4687500 -0.5000000), wk = 0.0014648
|
|
k( 482) = ( 0.0312500 0.4687500 -0.4687500), wk = 0.0029297
|
|
k( 483) = ( 0.0312500 0.4687500 -0.4375000), wk = 0.0014648
|
|
k( 484) = ( 0.0312500 -0.5000000 -0.4687500), wk = 0.0007324
|
|
k( 485) = ( 0.0625000 0.1250000 0.1875000), wk = 0.0014648
|
|
k( 486) = ( 0.0625000 0.1250000 0.2187500), wk = 0.0029297
|
|
k( 487) = ( 0.0625000 0.1250000 0.2500000), wk = 0.0029297
|
|
k( 488) = ( 0.0625000 0.1250000 0.2812500), wk = 0.0029297
|
|
k( 489) = ( 0.0625000 0.1250000 0.3125000), wk = 0.0029297
|
|
k( 490) = ( 0.0625000 0.1250000 0.3437500), wk = 0.0029297
|
|
k( 491) = ( 0.0625000 0.1250000 0.3750000), wk = 0.0029297
|
|
k( 492) = ( 0.0625000 0.1250000 0.4062500), wk = 0.0029297
|
|
k( 493) = ( 0.0625000 0.1250000 0.4375000), wk = 0.0029297
|
|
k( 494) = ( 0.0625000 0.1250000 0.4687500), wk = 0.0029297
|
|
k( 495) = ( 0.0625000 0.1250000 -0.5000000), wk = 0.0029297
|
|
k( 496) = ( 0.0625000 0.1250000 -0.4687500), wk = 0.0029297
|
|
k( 497) = ( 0.0625000 0.1250000 -0.4375000), wk = 0.0014648
|
|
k( 498) = ( 0.0625000 0.1562500 0.2187500), wk = 0.0014648
|
|
k( 499) = ( 0.0625000 0.1562500 0.2500000), wk = 0.0029297
|
|
k( 500) = ( 0.0625000 0.1562500 0.2812500), wk = 0.0029297
|
|
k( 501) = ( 0.0625000 0.1562500 0.3125000), wk = 0.0029297
|
|
k( 502) = ( 0.0625000 0.1562500 0.3437500), wk = 0.0029297
|
|
k( 503) = ( 0.0625000 0.1562500 0.3750000), wk = 0.0029297
|
|
k( 504) = ( 0.0625000 0.1562500 0.4062500), wk = 0.0029297
|
|
k( 505) = ( 0.0625000 0.1562500 0.4375000), wk = 0.0029297
|
|
k( 506) = ( 0.0625000 0.1562500 0.4687500), wk = 0.0029297
|
|
k( 507) = ( 0.0625000 0.1562500 -0.5000000), wk = 0.0029297
|
|
k( 508) = ( 0.0625000 0.1562500 -0.4687500), wk = 0.0029297
|
|
k( 509) = ( 0.0625000 0.1562500 -0.4375000), wk = 0.0029297
|
|
k( 510) = ( 0.0625000 0.1562500 -0.4062500), wk = 0.0029297
|
|
k( 511) = ( 0.0625000 0.1562500 -0.3750000), wk = 0.0029297
|
|
k( 512) = ( 0.0625000 0.1562500 -0.3437500), wk = 0.0029297
|
|
k( 513) = ( 0.0625000 0.1562500 -0.3125000), wk = 0.0029297
|
|
k( 514) = ( 0.0625000 0.1562500 -0.2812500), wk = 0.0029297
|
|
k( 515) = ( 0.0625000 0.1562500 -0.2500000), wk = 0.0029297
|
|
k( 516) = ( 0.0625000 0.1562500 -0.2187500), wk = 0.0029297
|
|
k( 517) = ( 0.0625000 0.1562500 -0.1875000), wk = 0.0029297
|
|
k( 518) = ( 0.0625000 0.1562500 -0.1562500), wk = 0.0029297
|
|
k( 519) = ( 0.0625000 0.1562500 -0.1250000), wk = 0.0029297
|
|
k( 520) = ( 0.0625000 0.1562500 -0.0937500), wk = 0.0014648
|
|
k( 521) = ( 0.0625000 0.1875000 0.2500000), wk = 0.0014648
|
|
k( 522) = ( 0.0625000 0.1875000 0.2812500), wk = 0.0029297
|
|
k( 523) = ( 0.0625000 0.1875000 0.3125000), wk = 0.0029297
|
|
k( 524) = ( 0.0625000 0.1875000 0.3437500), wk = 0.0029297
|
|
k( 525) = ( 0.0625000 0.1875000 0.3750000), wk = 0.0029297
|
|
k( 526) = ( 0.0625000 0.1875000 0.4062500), wk = 0.0029297
|
|
k( 527) = ( 0.0625000 0.1875000 0.4375000), wk = 0.0029297
|
|
k( 528) = ( 0.0625000 0.1875000 0.4687500), wk = 0.0029297
|
|
k( 529) = ( 0.0625000 0.1875000 -0.5000000), wk = 0.0029297
|
|
k( 530) = ( 0.0625000 0.1875000 -0.4687500), wk = 0.0029297
|
|
k( 531) = ( 0.0625000 0.1875000 -0.4375000), wk = 0.0029297
|
|
k( 532) = ( 0.0625000 0.1875000 -0.4062500), wk = 0.0029297
|
|
k( 533) = ( 0.0625000 0.1875000 -0.3750000), wk = 0.0029297
|
|
k( 534) = ( 0.0625000 0.1875000 -0.3437500), wk = 0.0029297
|
|
k( 535) = ( 0.0625000 0.1875000 -0.3125000), wk = 0.0029297
|
|
k( 536) = ( 0.0625000 0.1875000 -0.2812500), wk = 0.0029297
|
|
k( 537) = ( 0.0625000 0.1875000 -0.2500000), wk = 0.0029297
|
|
k( 538) = ( 0.0625000 0.1875000 -0.2187500), wk = 0.0029297
|
|
k( 539) = ( 0.0625000 0.1875000 -0.1875000), wk = 0.0029297
|
|
k( 540) = ( 0.0625000 0.1875000 -0.1562500), wk = 0.0029297
|
|
k( 541) = ( 0.0625000 0.1875000 -0.1250000), wk = 0.0014648
|
|
k( 542) = ( 0.0625000 0.2187500 0.2812500), wk = 0.0014648
|
|
k( 543) = ( 0.0625000 0.2187500 0.3125000), wk = 0.0029297
|
|
k( 544) = ( 0.0625000 0.2187500 0.3437500), wk = 0.0029297
|
|
k( 545) = ( 0.0625000 0.2187500 0.3750000), wk = 0.0029297
|
|
k( 546) = ( 0.0625000 0.2187500 0.4062500), wk = 0.0029297
|
|
k( 547) = ( 0.0625000 0.2187500 0.4375000), wk = 0.0029297
|
|
k( 548) = ( 0.0625000 0.2187500 0.4687500), wk = 0.0029297
|
|
k( 549) = ( 0.0625000 0.2187500 -0.5000000), wk = 0.0029297
|
|
k( 550) = ( 0.0625000 0.2187500 -0.4687500), wk = 0.0029297
|
|
k( 551) = ( 0.0625000 0.2187500 -0.4375000), wk = 0.0029297
|
|
k( 552) = ( 0.0625000 0.2187500 -0.4062500), wk = 0.0029297
|
|
k( 553) = ( 0.0625000 0.2187500 -0.3750000), wk = 0.0029297
|
|
k( 554) = ( 0.0625000 0.2187500 -0.3437500), wk = 0.0029297
|
|
k( 555) = ( 0.0625000 0.2187500 -0.3125000), wk = 0.0029297
|
|
k( 556) = ( 0.0625000 0.2187500 -0.2812500), wk = 0.0029297
|
|
k( 557) = ( 0.0625000 0.2187500 -0.2500000), wk = 0.0029297
|
|
k( 558) = ( 0.0625000 0.2187500 -0.2187500), wk = 0.0029297
|
|
k( 559) = ( 0.0625000 0.2187500 -0.1875000), wk = 0.0029297
|
|
k( 560) = ( 0.0625000 0.2187500 -0.1562500), wk = 0.0014648
|
|
k( 561) = ( 0.0625000 0.2500000 0.3125000), wk = 0.0014648
|
|
k( 562) = ( 0.0625000 0.2500000 0.3437500), wk = 0.0029297
|
|
k( 563) = ( 0.0625000 0.2500000 0.3750000), wk = 0.0029297
|
|
k( 564) = ( 0.0625000 0.2500000 0.4062500), wk = 0.0029297
|
|
k( 565) = ( 0.0625000 0.2500000 0.4375000), wk = 0.0029297
|
|
k( 566) = ( 0.0625000 0.2500000 0.4687500), wk = 0.0029297
|
|
k( 567) = ( 0.0625000 0.2500000 -0.5000000), wk = 0.0029297
|
|
k( 568) = ( 0.0625000 0.2500000 -0.4687500), wk = 0.0029297
|
|
k( 569) = ( 0.0625000 0.2500000 -0.4375000), wk = 0.0029297
|
|
k( 570) = ( 0.0625000 0.2500000 -0.4062500), wk = 0.0029297
|
|
k( 571) = ( 0.0625000 0.2500000 -0.3750000), wk = 0.0029297
|
|
k( 572) = ( 0.0625000 0.2500000 -0.3437500), wk = 0.0029297
|
|
k( 573) = ( 0.0625000 0.2500000 -0.3125000), wk = 0.0029297
|
|
k( 574) = ( 0.0625000 0.2500000 -0.2812500), wk = 0.0029297
|
|
k( 575) = ( 0.0625000 0.2500000 -0.2500000), wk = 0.0029297
|
|
k( 576) = ( 0.0625000 0.2500000 -0.2187500), wk = 0.0029297
|
|
k( 577) = ( 0.0625000 0.2500000 -0.1875000), wk = 0.0014648
|
|
k( 578) = ( 0.0625000 0.2812500 0.3437500), wk = 0.0014648
|
|
k( 579) = ( 0.0625000 0.2812500 0.3750000), wk = 0.0029297
|
|
k( 580) = ( 0.0625000 0.2812500 0.4062500), wk = 0.0029297
|
|
k( 581) = ( 0.0625000 0.2812500 0.4375000), wk = 0.0029297
|
|
k( 582) = ( 0.0625000 0.2812500 0.4687500), wk = 0.0029297
|
|
k( 583) = ( 0.0625000 0.2812500 -0.5000000), wk = 0.0029297
|
|
k( 584) = ( 0.0625000 0.2812500 -0.4687500), wk = 0.0029297
|
|
k( 585) = ( 0.0625000 0.2812500 -0.4375000), wk = 0.0029297
|
|
k( 586) = ( 0.0625000 0.2812500 -0.4062500), wk = 0.0029297
|
|
k( 587) = ( 0.0625000 0.2812500 -0.3750000), wk = 0.0029297
|
|
k( 588) = ( 0.0625000 0.2812500 -0.3437500), wk = 0.0029297
|
|
k( 589) = ( 0.0625000 0.2812500 -0.3125000), wk = 0.0029297
|
|
k( 590) = ( 0.0625000 0.2812500 -0.2812500), wk = 0.0029297
|
|
k( 591) = ( 0.0625000 0.2812500 -0.2500000), wk = 0.0029297
|
|
k( 592) = ( 0.0625000 0.2812500 -0.2187500), wk = 0.0014648
|
|
k( 593) = ( 0.0625000 0.3125000 0.3750000), wk = 0.0014648
|
|
k( 594) = ( 0.0625000 0.3125000 0.4062500), wk = 0.0029297
|
|
k( 595) = ( 0.0625000 0.3125000 0.4375000), wk = 0.0029297
|
|
k( 596) = ( 0.0625000 0.3125000 0.4687500), wk = 0.0029297
|
|
k( 597) = ( 0.0625000 0.3125000 -0.5000000), wk = 0.0029297
|
|
k( 598) = ( 0.0625000 0.3125000 -0.4687500), wk = 0.0029297
|
|
k( 599) = ( 0.0625000 0.3125000 -0.4375000), wk = 0.0029297
|
|
k( 600) = ( 0.0625000 0.3125000 -0.4062500), wk = 0.0029297
|
|
k( 601) = ( 0.0625000 0.3125000 -0.3750000), wk = 0.0029297
|
|
k( 602) = ( 0.0625000 0.3125000 -0.3437500), wk = 0.0029297
|
|
k( 603) = ( 0.0625000 0.3125000 -0.3125000), wk = 0.0029297
|
|
k( 604) = ( 0.0625000 0.3125000 -0.2812500), wk = 0.0029297
|
|
k( 605) = ( 0.0625000 0.3125000 -0.2500000), wk = 0.0014648
|
|
k( 606) = ( 0.0625000 0.3437500 0.4062500), wk = 0.0014648
|
|
k( 607) = ( 0.0625000 0.3437500 0.4375000), wk = 0.0029297
|
|
k( 608) = ( 0.0625000 0.3437500 0.4687500), wk = 0.0029297
|
|
k( 609) = ( 0.0625000 0.3437500 -0.5000000), wk = 0.0029297
|
|
k( 610) = ( 0.0625000 0.3437500 -0.4687500), wk = 0.0029297
|
|
k( 611) = ( 0.0625000 0.3437500 -0.4375000), wk = 0.0029297
|
|
k( 612) = ( 0.0625000 0.3437500 -0.4062500), wk = 0.0029297
|
|
k( 613) = ( 0.0625000 0.3437500 -0.3750000), wk = 0.0029297
|
|
k( 614) = ( 0.0625000 0.3437500 -0.3437500), wk = 0.0029297
|
|
k( 615) = ( 0.0625000 0.3437500 -0.3125000), wk = 0.0029297
|
|
k( 616) = ( 0.0625000 0.3437500 -0.2812500), wk = 0.0014648
|
|
k( 617) = ( 0.0625000 0.3750000 0.4375000), wk = 0.0014648
|
|
k( 618) = ( 0.0625000 0.3750000 0.4687500), wk = 0.0029297
|
|
k( 619) = ( 0.0625000 0.3750000 -0.5000000), wk = 0.0029297
|
|
k( 620) = ( 0.0625000 0.3750000 -0.4687500), wk = 0.0029297
|
|
k( 621) = ( 0.0625000 0.3750000 -0.4375000), wk = 0.0029297
|
|
k( 622) = ( 0.0625000 0.3750000 -0.4062500), wk = 0.0029297
|
|
k( 623) = ( 0.0625000 0.3750000 -0.3750000), wk = 0.0029297
|
|
k( 624) = ( 0.0625000 0.3750000 -0.3437500), wk = 0.0029297
|
|
k( 625) = ( 0.0625000 0.3750000 -0.3125000), wk = 0.0014648
|
|
k( 626) = ( 0.0625000 0.4062500 0.4687500), wk = 0.0014648
|
|
k( 627) = ( 0.0625000 0.4062500 -0.5000000), wk = 0.0029297
|
|
k( 628) = ( 0.0625000 0.4062500 -0.4687500), wk = 0.0029297
|
|
k( 629) = ( 0.0625000 0.4062500 -0.4375000), wk = 0.0029297
|
|
k( 630) = ( 0.0625000 0.4062500 -0.4062500), wk = 0.0029297
|
|
k( 631) = ( 0.0625000 0.4062500 -0.3750000), wk = 0.0029297
|
|
k( 632) = ( 0.0625000 0.4062500 -0.3437500), wk = 0.0014648
|
|
k( 633) = ( 0.0625000 0.4375000 -0.5000000), wk = 0.0014648
|
|
k( 634) = ( 0.0625000 0.4375000 -0.4687500), wk = 0.0029297
|
|
k( 635) = ( 0.0625000 0.4375000 -0.4375000), wk = 0.0029297
|
|
k( 636) = ( 0.0625000 0.4375000 -0.4062500), wk = 0.0029297
|
|
k( 637) = ( 0.0625000 0.4375000 -0.3750000), wk = 0.0014648
|
|
k( 638) = ( 0.0625000 0.4687500 -0.4687500), wk = 0.0014648
|
|
k( 639) = ( 0.0625000 0.4687500 -0.4375000), wk = 0.0029297
|
|
k( 640) = ( 0.0625000 0.4687500 -0.4062500), wk = 0.0014648
|
|
k( 641) = ( 0.0625000 -0.5000000 -0.4375000), wk = 0.0007324
|
|
k( 642) = ( 0.0937500 0.1875000 0.2812500), wk = 0.0014648
|
|
k( 643) = ( 0.0937500 0.1875000 0.3125000), wk = 0.0029297
|
|
k( 644) = ( 0.0937500 0.1875000 0.3437500), wk = 0.0029297
|
|
k( 645) = ( 0.0937500 0.1875000 0.3750000), wk = 0.0029297
|
|
k( 646) = ( 0.0937500 0.1875000 0.4062500), wk = 0.0029297
|
|
k( 647) = ( 0.0937500 0.1875000 0.4375000), wk = 0.0029297
|
|
k( 648) = ( 0.0937500 0.1875000 0.4687500), wk = 0.0029297
|
|
k( 649) = ( 0.0937500 0.1875000 -0.5000000), wk = 0.0029297
|
|
k( 650) = ( 0.0937500 0.1875000 -0.4687500), wk = 0.0029297
|
|
k( 651) = ( 0.0937500 0.1875000 -0.4375000), wk = 0.0029297
|
|
k( 652) = ( 0.0937500 0.1875000 -0.4062500), wk = 0.0014648
|
|
k( 653) = ( 0.0937500 0.2187500 0.3125000), wk = 0.0014648
|
|
k( 654) = ( 0.0937500 0.2187500 0.3437500), wk = 0.0029297
|
|
k( 655) = ( 0.0937500 0.2187500 0.3750000), wk = 0.0029297
|
|
k( 656) = ( 0.0937500 0.2187500 0.4062500), wk = 0.0029297
|
|
k( 657) = ( 0.0937500 0.2187500 0.4375000), wk = 0.0029297
|
|
k( 658) = ( 0.0937500 0.2187500 0.4687500), wk = 0.0029297
|
|
k( 659) = ( 0.0937500 0.2187500 -0.5000000), wk = 0.0029297
|
|
k( 660) = ( 0.0937500 0.2187500 -0.4687500), wk = 0.0029297
|
|
k( 661) = ( 0.0937500 0.2187500 -0.4375000), wk = 0.0029297
|
|
k( 662) = ( 0.0937500 0.2187500 -0.4062500), wk = 0.0029297
|
|
k( 663) = ( 0.0937500 0.2187500 -0.3750000), wk = 0.0029297
|
|
k( 664) = ( 0.0937500 0.2187500 -0.3437500), wk = 0.0029297
|
|
k( 665) = ( 0.0937500 0.2187500 -0.3125000), wk = 0.0029297
|
|
k( 666) = ( 0.0937500 0.2187500 -0.2812500), wk = 0.0029297
|
|
k( 667) = ( 0.0937500 0.2187500 -0.2500000), wk = 0.0029297
|
|
k( 668) = ( 0.0937500 0.2187500 -0.2187500), wk = 0.0029297
|
|
k( 669) = ( 0.0937500 0.2187500 -0.1875000), wk = 0.0029297
|
|
k( 670) = ( 0.0937500 0.2187500 -0.1562500), wk = 0.0029297
|
|
k( 671) = ( 0.0937500 0.2187500 -0.1250000), wk = 0.0014648
|
|
k( 672) = ( 0.0937500 0.2500000 0.3437500), wk = 0.0014648
|
|
k( 673) = ( 0.0937500 0.2500000 0.3750000), wk = 0.0029297
|
|
k( 674) = ( 0.0937500 0.2500000 0.4062500), wk = 0.0029297
|
|
k( 675) = ( 0.0937500 0.2500000 0.4375000), wk = 0.0029297
|
|
k( 676) = ( 0.0937500 0.2500000 0.4687500), wk = 0.0029297
|
|
k( 677) = ( 0.0937500 0.2500000 -0.5000000), wk = 0.0029297
|
|
k( 678) = ( 0.0937500 0.2500000 -0.4687500), wk = 0.0029297
|
|
k( 679) = ( 0.0937500 0.2500000 -0.4375000), wk = 0.0029297
|
|
k( 680) = ( 0.0937500 0.2500000 -0.4062500), wk = 0.0029297
|
|
k( 681) = ( 0.0937500 0.2500000 -0.3750000), wk = 0.0029297
|
|
k( 682) = ( 0.0937500 0.2500000 -0.3437500), wk = 0.0029297
|
|
k( 683) = ( 0.0937500 0.2500000 -0.3125000), wk = 0.0029297
|
|
k( 684) = ( 0.0937500 0.2500000 -0.2812500), wk = 0.0029297
|
|
k( 685) = ( 0.0937500 0.2500000 -0.2500000), wk = 0.0029297
|
|
k( 686) = ( 0.0937500 0.2500000 -0.2187500), wk = 0.0029297
|
|
k( 687) = ( 0.0937500 0.2500000 -0.1875000), wk = 0.0029297
|
|
k( 688) = ( 0.0937500 0.2500000 -0.1562500), wk = 0.0014648
|
|
k( 689) = ( 0.0937500 0.2812500 0.3750000), wk = 0.0014648
|
|
k( 690) = ( 0.0937500 0.2812500 0.4062500), wk = 0.0029297
|
|
k( 691) = ( 0.0937500 0.2812500 0.4375000), wk = 0.0029297
|
|
k( 692) = ( 0.0937500 0.2812500 0.4687500), wk = 0.0029297
|
|
k( 693) = ( 0.0937500 0.2812500 -0.5000000), wk = 0.0029297
|
|
k( 694) = ( 0.0937500 0.2812500 -0.4687500), wk = 0.0029297
|
|
k( 695) = ( 0.0937500 0.2812500 -0.4375000), wk = 0.0029297
|
|
k( 696) = ( 0.0937500 0.2812500 -0.4062500), wk = 0.0029297
|
|
k( 697) = ( 0.0937500 0.2812500 -0.3750000), wk = 0.0029297
|
|
k( 698) = ( 0.0937500 0.2812500 -0.3437500), wk = 0.0029297
|
|
k( 699) = ( 0.0937500 0.2812500 -0.3125000), wk = 0.0029297
|
|
k( 700) = ( 0.0937500 0.2812500 -0.2812500), wk = 0.0029297
|
|
k( 701) = ( 0.0937500 0.2812500 -0.2500000), wk = 0.0029297
|
|
k( 702) = ( 0.0937500 0.2812500 -0.2187500), wk = 0.0029297
|
|
k( 703) = ( 0.0937500 0.2812500 -0.1875000), wk = 0.0014648
|
|
k( 704) = ( 0.0937500 0.3125000 0.4062500), wk = 0.0014648
|
|
k( 705) = ( 0.0937500 0.3125000 0.4375000), wk = 0.0029297
|
|
k( 706) = ( 0.0937500 0.3125000 0.4687500), wk = 0.0029297
|
|
k( 707) = ( 0.0937500 0.3125000 -0.5000000), wk = 0.0029297
|
|
k( 708) = ( 0.0937500 0.3125000 -0.4687500), wk = 0.0029297
|
|
k( 709) = ( 0.0937500 0.3125000 -0.4375000), wk = 0.0029297
|
|
k( 710) = ( 0.0937500 0.3125000 -0.4062500), wk = 0.0029297
|
|
k( 711) = ( 0.0937500 0.3125000 -0.3750000), wk = 0.0029297
|
|
k( 712) = ( 0.0937500 0.3125000 -0.3437500), wk = 0.0029297
|
|
k( 713) = ( 0.0937500 0.3125000 -0.3125000), wk = 0.0029297
|
|
k( 714) = ( 0.0937500 0.3125000 -0.2812500), wk = 0.0029297
|
|
k( 715) = ( 0.0937500 0.3125000 -0.2500000), wk = 0.0029297
|
|
k( 716) = ( 0.0937500 0.3125000 -0.2187500), wk = 0.0014648
|
|
k( 717) = ( 0.0937500 0.3437500 0.4375000), wk = 0.0014648
|
|
k( 718) = ( 0.0937500 0.3437500 0.4687500), wk = 0.0029297
|
|
k( 719) = ( 0.0937500 0.3437500 -0.5000000), wk = 0.0029297
|
|
k( 720) = ( 0.0937500 0.3437500 -0.4687500), wk = 0.0029297
|
|
k( 721) = ( 0.0937500 0.3437500 -0.4375000), wk = 0.0029297
|
|
k( 722) = ( 0.0937500 0.3437500 -0.4062500), wk = 0.0029297
|
|
k( 723) = ( 0.0937500 0.3437500 -0.3750000), wk = 0.0029297
|
|
k( 724) = ( 0.0937500 0.3437500 -0.3437500), wk = 0.0029297
|
|
k( 725) = ( 0.0937500 0.3437500 -0.3125000), wk = 0.0029297
|
|
k( 726) = ( 0.0937500 0.3437500 -0.2812500), wk = 0.0029297
|
|
k( 727) = ( 0.0937500 0.3437500 -0.2500000), wk = 0.0014648
|
|
k( 728) = ( 0.0937500 0.3750000 0.4687500), wk = 0.0014648
|
|
k( 729) = ( 0.0937500 0.3750000 -0.5000000), wk = 0.0029297
|
|
k( 730) = ( 0.0937500 0.3750000 -0.4687500), wk = 0.0029297
|
|
k( 731) = ( 0.0937500 0.3750000 -0.4375000), wk = 0.0029297
|
|
k( 732) = ( 0.0937500 0.3750000 -0.4062500), wk = 0.0029297
|
|
k( 733) = ( 0.0937500 0.3750000 -0.3750000), wk = 0.0029297
|
|
k( 734) = ( 0.0937500 0.3750000 -0.3437500), wk = 0.0029297
|
|
k( 735) = ( 0.0937500 0.3750000 -0.3125000), wk = 0.0029297
|
|
k( 736) = ( 0.0937500 0.3750000 -0.2812500), wk = 0.0014648
|
|
k( 737) = ( 0.0937500 0.4062500 -0.5000000), wk = 0.0014648
|
|
k( 738) = ( 0.0937500 0.4062500 -0.4687500), wk = 0.0029297
|
|
k( 739) = ( 0.0937500 0.4062500 -0.4375000), wk = 0.0029297
|
|
k( 740) = ( 0.0937500 0.4062500 -0.4062500), wk = 0.0029297
|
|
k( 741) = ( 0.0937500 0.4062500 -0.3750000), wk = 0.0029297
|
|
k( 742) = ( 0.0937500 0.4062500 -0.3437500), wk = 0.0029297
|
|
k( 743) = ( 0.0937500 0.4062500 -0.3125000), wk = 0.0014648
|
|
k( 744) = ( 0.0937500 0.4375000 -0.4687500), wk = 0.0014648
|
|
k( 745) = ( 0.0937500 0.4375000 -0.4375000), wk = 0.0029297
|
|
k( 746) = ( 0.0937500 0.4375000 -0.4062500), wk = 0.0029297
|
|
k( 747) = ( 0.0937500 0.4375000 -0.3750000), wk = 0.0029297
|
|
k( 748) = ( 0.0937500 0.4375000 -0.3437500), wk = 0.0014648
|
|
k( 749) = ( 0.0937500 0.4687500 -0.4375000), wk = 0.0014648
|
|
k( 750) = ( 0.0937500 0.4687500 -0.4062500), wk = 0.0029297
|
|
k( 751) = ( 0.0937500 0.4687500 -0.3750000), wk = 0.0014648
|
|
k( 752) = ( 0.0937500 -0.5000000 -0.4062500), wk = 0.0007324
|
|
k( 753) = ( 0.1250000 0.2500000 0.3750000), wk = 0.0014648
|
|
k( 754) = ( 0.1250000 0.2500000 0.4062500), wk = 0.0029297
|
|
k( 755) = ( 0.1250000 0.2500000 0.4375000), wk = 0.0029297
|
|
k( 756) = ( 0.1250000 0.2500000 0.4687500), wk = 0.0029297
|
|
k( 757) = ( 0.1250000 0.2500000 -0.5000000), wk = 0.0029297
|
|
k( 758) = ( 0.1250000 0.2500000 -0.4687500), wk = 0.0029297
|
|
k( 759) = ( 0.1250000 0.2500000 -0.4375000), wk = 0.0029297
|
|
k( 760) = ( 0.1250000 0.2500000 -0.4062500), wk = 0.0029297
|
|
k( 761) = ( 0.1250000 0.2500000 -0.3750000), wk = 0.0014648
|
|
k( 762) = ( 0.1250000 0.2812500 0.4062500), wk = 0.0014648
|
|
k( 763) = ( 0.1250000 0.2812500 0.4375000), wk = 0.0029297
|
|
k( 764) = ( 0.1250000 0.2812500 0.4687500), wk = 0.0029297
|
|
k( 765) = ( 0.1250000 0.2812500 -0.5000000), wk = 0.0029297
|
|
k( 766) = ( 0.1250000 0.2812500 -0.4687500), wk = 0.0029297
|
|
k( 767) = ( 0.1250000 0.2812500 -0.4375000), wk = 0.0029297
|
|
k( 768) = ( 0.1250000 0.2812500 -0.4062500), wk = 0.0029297
|
|
k( 769) = ( 0.1250000 0.2812500 -0.3750000), wk = 0.0029297
|
|
k( 770) = ( 0.1250000 0.2812500 -0.3437500), wk = 0.0029297
|
|
k( 771) = ( 0.1250000 0.2812500 -0.3125000), wk = 0.0029297
|
|
k( 772) = ( 0.1250000 0.2812500 -0.2812500), wk = 0.0029297
|
|
k( 773) = ( 0.1250000 0.2812500 -0.2500000), wk = 0.0029297
|
|
k( 774) = ( 0.1250000 0.2812500 -0.2187500), wk = 0.0029297
|
|
k( 775) = ( 0.1250000 0.2812500 -0.1875000), wk = 0.0029297
|
|
k( 776) = ( 0.1250000 0.2812500 -0.1562500), wk = 0.0014648
|
|
k( 777) = ( 0.1250000 0.3125000 0.4375000), wk = 0.0014648
|
|
k( 778) = ( 0.1250000 0.3125000 0.4687500), wk = 0.0029297
|
|
k( 779) = ( 0.1250000 0.3125000 -0.5000000), wk = 0.0029297
|
|
k( 780) = ( 0.1250000 0.3125000 -0.4687500), wk = 0.0029297
|
|
k( 781) = ( 0.1250000 0.3125000 -0.4375000), wk = 0.0029297
|
|
k( 782) = ( 0.1250000 0.3125000 -0.4062500), wk = 0.0029297
|
|
k( 783) = ( 0.1250000 0.3125000 -0.3750000), wk = 0.0029297
|
|
k( 784) = ( 0.1250000 0.3125000 -0.3437500), wk = 0.0029297
|
|
k( 785) = ( 0.1250000 0.3125000 -0.3125000), wk = 0.0029297
|
|
k( 786) = ( 0.1250000 0.3125000 -0.2812500), wk = 0.0029297
|
|
k( 787) = ( 0.1250000 0.3125000 -0.2500000), wk = 0.0029297
|
|
k( 788) = ( 0.1250000 0.3125000 -0.2187500), wk = 0.0029297
|
|
k( 789) = ( 0.1250000 0.3125000 -0.1875000), wk = 0.0014648
|
|
k( 790) = ( 0.1250000 0.3437500 0.4687500), wk = 0.0014648
|
|
k( 791) = ( 0.1250000 0.3437500 -0.5000000), wk = 0.0029297
|
|
k( 792) = ( 0.1250000 0.3437500 -0.4687500), wk = 0.0029297
|
|
k( 793) = ( 0.1250000 0.3437500 -0.4375000), wk = 0.0029297
|
|
k( 794) = ( 0.1250000 0.3437500 -0.4062500), wk = 0.0029297
|
|
k( 795) = ( 0.1250000 0.3437500 -0.3750000), wk = 0.0029297
|
|
k( 796) = ( 0.1250000 0.3437500 -0.3437500), wk = 0.0029297
|
|
k( 797) = ( 0.1250000 0.3437500 -0.3125000), wk = 0.0029297
|
|
k( 798) = ( 0.1250000 0.3437500 -0.2812500), wk = 0.0029297
|
|
k( 799) = ( 0.1250000 0.3437500 -0.2500000), wk = 0.0029297
|
|
k( 800) = ( 0.1250000 0.3437500 -0.2187500), wk = 0.0014648
|
|
k( 801) = ( 0.1250000 0.3750000 -0.5000000), wk = 0.0014648
|
|
k( 802) = ( 0.1250000 0.3750000 -0.4687500), wk = 0.0029297
|
|
k( 803) = ( 0.1250000 0.3750000 -0.4375000), wk = 0.0029297
|
|
k( 804) = ( 0.1250000 0.3750000 -0.4062500), wk = 0.0029297
|
|
k( 805) = ( 0.1250000 0.3750000 -0.3750000), wk = 0.0029297
|
|
k( 806) = ( 0.1250000 0.3750000 -0.3437500), wk = 0.0029297
|
|
k( 807) = ( 0.1250000 0.3750000 -0.3125000), wk = 0.0029297
|
|
k( 808) = ( 0.1250000 0.3750000 -0.2812500), wk = 0.0029297
|
|
k( 809) = ( 0.1250000 0.3750000 -0.2500000), wk = 0.0014648
|
|
k( 810) = ( 0.1250000 0.4062500 -0.4687500), wk = 0.0014648
|
|
k( 811) = ( 0.1250000 0.4062500 -0.4375000), wk = 0.0029297
|
|
k( 812) = ( 0.1250000 0.4062500 -0.4062500), wk = 0.0029297
|
|
k( 813) = ( 0.1250000 0.4062500 -0.3750000), wk = 0.0029297
|
|
k( 814) = ( 0.1250000 0.4062500 -0.3437500), wk = 0.0029297
|
|
k( 815) = ( 0.1250000 0.4062500 -0.3125000), wk = 0.0029297
|
|
k( 816) = ( 0.1250000 0.4062500 -0.2812500), wk = 0.0014648
|
|
k( 817) = ( 0.1250000 0.4375000 -0.4375000), wk = 0.0014648
|
|
k( 818) = ( 0.1250000 0.4375000 -0.4062500), wk = 0.0029297
|
|
k( 819) = ( 0.1250000 0.4375000 -0.3750000), wk = 0.0029297
|
|
k( 820) = ( 0.1250000 0.4375000 -0.3437500), wk = 0.0029297
|
|
k( 821) = ( 0.1250000 0.4375000 -0.3125000), wk = 0.0014648
|
|
k( 822) = ( 0.1250000 0.4687500 -0.4062500), wk = 0.0014648
|
|
k( 823) = ( 0.1250000 0.4687500 -0.3750000), wk = 0.0029297
|
|
k( 824) = ( 0.1250000 0.4687500 -0.3437500), wk = 0.0014648
|
|
k( 825) = ( 0.1250000 -0.5000000 -0.3750000), wk = 0.0007324
|
|
k( 826) = ( 0.1562500 0.3125000 0.4687500), wk = 0.0014648
|
|
k( 827) = ( 0.1562500 0.3125000 -0.5000000), wk = 0.0029297
|
|
k( 828) = ( 0.1562500 0.3125000 -0.4687500), wk = 0.0029297
|
|
k( 829) = ( 0.1562500 0.3125000 -0.4375000), wk = 0.0029297
|
|
k( 830) = ( 0.1562500 0.3125000 -0.4062500), wk = 0.0029297
|
|
k( 831) = ( 0.1562500 0.3125000 -0.3750000), wk = 0.0029297
|
|
k( 832) = ( 0.1562500 0.3125000 -0.3437500), wk = 0.0014648
|
|
k( 833) = ( 0.1562500 0.3437500 -0.5000000), wk = 0.0014648
|
|
k( 834) = ( 0.1562500 0.3437500 -0.4687500), wk = 0.0029297
|
|
k( 835) = ( 0.1562500 0.3437500 -0.4375000), wk = 0.0029297
|
|
k( 836) = ( 0.1562500 0.3437500 -0.4062500), wk = 0.0029297
|
|
k( 837) = ( 0.1562500 0.3437500 -0.3750000), wk = 0.0029297
|
|
k( 838) = ( 0.1562500 0.3437500 -0.3437500), wk = 0.0029297
|
|
k( 839) = ( 0.1562500 0.3437500 -0.3125000), wk = 0.0029297
|
|
k( 840) = ( 0.1562500 0.3437500 -0.2812500), wk = 0.0029297
|
|
k( 841) = ( 0.1562500 0.3437500 -0.2500000), wk = 0.0029297
|
|
k( 842) = ( 0.1562500 0.3437500 -0.2187500), wk = 0.0029297
|
|
k( 843) = ( 0.1562500 0.3437500 -0.1875000), wk = 0.0014648
|
|
k( 844) = ( 0.1562500 0.3750000 -0.4687500), wk = 0.0014648
|
|
k( 845) = ( 0.1562500 0.3750000 -0.4375000), wk = 0.0029297
|
|
k( 846) = ( 0.1562500 0.3750000 -0.4062500), wk = 0.0029297
|
|
k( 847) = ( 0.1562500 0.3750000 -0.3750000), wk = 0.0029297
|
|
k( 848) = ( 0.1562500 0.3750000 -0.3437500), wk = 0.0029297
|
|
k( 849) = ( 0.1562500 0.3750000 -0.3125000), wk = 0.0029297
|
|
k( 850) = ( 0.1562500 0.3750000 -0.2812500), wk = 0.0029297
|
|
k( 851) = ( 0.1562500 0.3750000 -0.2500000), wk = 0.0029297
|
|
k( 852) = ( 0.1562500 0.3750000 -0.2187500), wk = 0.0014648
|
|
k( 853) = ( 0.1562500 0.4062500 -0.4375000), wk = 0.0014648
|
|
k( 854) = ( 0.1562500 0.4062500 -0.4062500), wk = 0.0029297
|
|
k( 855) = ( 0.1562500 0.4062500 -0.3750000), wk = 0.0029297
|
|
k( 856) = ( 0.1562500 0.4062500 -0.3437500), wk = 0.0029297
|
|
k( 857) = ( 0.1562500 0.4062500 -0.3125000), wk = 0.0029297
|
|
k( 858) = ( 0.1562500 0.4062500 -0.2812500), wk = 0.0029297
|
|
k( 859) = ( 0.1562500 0.4062500 -0.2500000), wk = 0.0014648
|
|
k( 860) = ( 0.1562500 0.4375000 -0.4062500), wk = 0.0014648
|
|
k( 861) = ( 0.1562500 0.4375000 -0.3750000), wk = 0.0029297
|
|
k( 862) = ( 0.1562500 0.4375000 -0.3437500), wk = 0.0029297
|
|
k( 863) = ( 0.1562500 0.4375000 -0.3125000), wk = 0.0029297
|
|
k( 864) = ( 0.1562500 0.4375000 -0.2812500), wk = 0.0014648
|
|
k( 865) = ( 0.1562500 0.4687500 -0.3750000), wk = 0.0014648
|
|
k( 866) = ( 0.1562500 0.4687500 -0.3437500), wk = 0.0029297
|
|
k( 867) = ( 0.1562500 0.4687500 -0.3125000), wk = 0.0014648
|
|
k( 868) = ( 0.1562500 -0.5000000 -0.3437500), wk = 0.0007324
|
|
k( 869) = ( 0.1875000 0.3750000 -0.4375000), wk = 0.0014648
|
|
k( 870) = ( 0.1875000 0.3750000 -0.4062500), wk = 0.0029297
|
|
k( 871) = ( 0.1875000 0.3750000 -0.3750000), wk = 0.0029297
|
|
k( 872) = ( 0.1875000 0.3750000 -0.3437500), wk = 0.0029297
|
|
k( 873) = ( 0.1875000 0.3750000 -0.3125000), wk = 0.0014648
|
|
k( 874) = ( 0.1875000 0.4062500 -0.4062500), wk = 0.0014648
|
|
k( 875) = ( 0.1875000 0.4062500 -0.3750000), wk = 0.0029297
|
|
k( 876) = ( 0.1875000 0.4062500 -0.3437500), wk = 0.0029297
|
|
k( 877) = ( 0.1875000 0.4062500 -0.3125000), wk = 0.0029297
|
|
k( 878) = ( 0.1875000 0.4062500 -0.2812500), wk = 0.0029297
|
|
k( 879) = ( 0.1875000 0.4062500 -0.2500000), wk = 0.0029297
|
|
k( 880) = ( 0.1875000 0.4062500 -0.2187500), wk = 0.0014648
|
|
k( 881) = ( 0.1875000 0.4375000 -0.3750000), wk = 0.0014648
|
|
k( 882) = ( 0.1875000 0.4375000 -0.3437500), wk = 0.0029297
|
|
k( 883) = ( 0.1875000 0.4375000 -0.3125000), wk = 0.0029297
|
|
k( 884) = ( 0.1875000 0.4375000 -0.2812500), wk = 0.0029297
|
|
k( 885) = ( 0.1875000 0.4375000 -0.2500000), wk = 0.0014648
|
|
k( 886) = ( 0.1875000 0.4687500 -0.3437500), wk = 0.0014648
|
|
k( 887) = ( 0.1875000 0.4687500 -0.3125000), wk = 0.0029297
|
|
k( 888) = ( 0.1875000 0.4687500 -0.2812500), wk = 0.0014648
|
|
k( 889) = ( 0.1875000 -0.5000000 -0.3125000), wk = 0.0007324
|
|
k( 890) = ( 0.2187500 0.4375000 -0.3437500), wk = 0.0014648
|
|
k( 891) = ( 0.2187500 0.4375000 -0.3125000), wk = 0.0029297
|
|
k( 892) = ( 0.2187500 0.4375000 -0.2812500), wk = 0.0014648
|
|
k( 893) = ( 0.2187500 0.4687500 -0.3125000), wk = 0.0014648
|
|
k( 894) = ( 0.2187500 0.4687500 -0.2812500), wk = 0.0029297
|
|
k( 895) = ( 0.2187500 0.4687500 -0.2500000), wk = 0.0014648
|
|
k( 896) = ( 0.2187500 -0.5000000 -0.2812500), wk = 0.0007324
|
|
k( 897) = ( 0.2500000 -0.5000000 -0.2500000), wk = 0.0003662
|
|
|
|
Dense grid: 75457 G-vectors FFT dimensions: ( 60, 60, 60)
|
|
|
|
Smooth grid: 14361 G-vectors FFT dimensions: ( 36, 36, 36)
|
|
|
|
Largest allocated arrays est. size (Mb) dimensions
|
|
Kohn-Sham Wavefunctions 0.11 Mb ( 459, 16)
|
|
NL pseudopotentials 0.18 Mb ( 459, 26)
|
|
Each V/rho on FFT grid 0.82 Mb ( 54000)
|
|
Each G-vector array 0.14 Mb ( 18866)
|
|
G-vector shells 0.00 Mb ( 580)
|
|
Largest temporary arrays est. size (Mb) dimensions
|
|
Auxiliary wavefunctions 0.45 Mb ( 459, 64)
|
|
Each subspace H/S matrix 0.06 Mb ( 64, 64)
|
|
Each <psi_i|beta_j> matrix 0.01 Mb ( 26, 16)
|
|
Arrays for rho mixing 6.59 Mb ( 54000, 8)
|
|
|
|
Initial potential from superposition of free atoms
|
|
|
|
starting charge 17.99681, renormalised to 18.00000
|
|
Starting wfc are 13 randomized atomic wfcs + 3 random wfc
|
|
Checking if some PAW data can be deallocated...
|
|
node 0, deallocated PAW data for type: 2
|
|
node 1, deallocated PAW data for type: 2
|
|
node 2, deallocated PAW data for type: 2
|
|
node 3, deallocated PAW data for type: 2
|
|
node 4, deallocated PAW data for type: 2
|
|
node 5, deallocated PAW data for type: 2
|
|
node 6, deallocated PAW data for type: 2
|
|
node 7, deallocated PAW data for type: 2
|
|
node 8, deallocated PAW data for type: 2
|
|
node 9, deallocated PAW data for type: 2
|
|
node 10, deallocated PAW data for type: 2
|
|
node 11, deallocated PAW data for type: 2
|
|
node 12, deallocated PAW data for type: 2
|
|
node 13, deallocated PAW data for type: 2
|
|
node 14, deallocated PAW data for type: 2
|
|
node 15, deallocated PAW data for type: 2
|
|
node 16, deallocated PAW data for type: 1
|
|
node 17, deallocated PAW data for type: 1
|
|
node 18, deallocated PAW data for type: 1
|
|
node 19, deallocated PAW data for type: 1
|
|
node 20, deallocated PAW data for type: 1
|
|
node 21, deallocated PAW data for type: 1
|
|
node 22, deallocated PAW data for type: 1
|
|
node 23, deallocated PAW data for type: 1
|
|
node 24, deallocated PAW data for type: 1
|
|
node 25, deallocated PAW data for type: 1
|
|
node 26, deallocated PAW data for type: 1
|
|
node 27, deallocated PAW data for type: 1
|
|
node 28, deallocated PAW data for type: 1
|
|
node 29, deallocated PAW data for type: 1
|
|
node 30, deallocated PAW data for type: 1
|
|
node 31, deallocated PAW data for type: 1
|
|
|
|
total cpu time spent up to now is 3.2 secs
|
|
|
|
per-process dynamical memory: 39.6 Mb
|
|
|
|
Self-consistent Calculation
|
|
|
|
iteration # 1 ecut= 50.00 Ry beta=0.30
|
|
Davidson diagonalization with overlap
|
|
ethr = 1.00E-02, avg # of iterations = 4.7
|
|
|
|
Threshold (ethr) on eigenvalues was too large:
|
|
Diagonalizing with lowered threshold
|
|
|
|
Davidson diagonalization with overlap
|
|
ethr = 2.70E-04, avg # of iterations = 1.5
|
|
|
|
total cpu time spent up to now is 11.0 secs
|
|
|
|
total energy = -453.96685646 Ry
|
|
Harris-Foulkes estimate = -453.97868254 Ry
|
|
estimated scf accuracy < 0.04823282 Ry
|
|
|
|
iteration # 2 ecut= 50.00 Ry beta=0.30
|
|
Davidson diagonalization with overlap
|
|
ethr = 2.68E-04, avg # of iterations = 1.0
|
|
|
|
total cpu time spent up to now is 14.0 secs
|
|
|
|
total energy = -453.96533559 Ry
|
|
Harris-Foulkes estimate = -453.96896694 Ry
|
|
estimated scf accuracy < 0.01446344 Ry
|
|
|
|
iteration # 3 ecut= 50.00 Ry beta=0.30
|
|
Davidson diagonalization with overlap
|
|
ethr = 8.04E-05, avg # of iterations = 1.6
|
|
|
|
total cpu time spent up to now is 17.4 secs
|
|
|
|
total energy = -453.96618309 Ry
|
|
Harris-Foulkes estimate = -453.96647136 Ry
|
|
estimated scf accuracy < 0.00211489 Ry
|
|
|
|
iteration # 4 ecut= 50.00 Ry beta=0.30
|
|
Davidson diagonalization with overlap
|
|
ethr = 1.17E-05, avg # of iterations = 1.9
|
|
|
|
total cpu time spent up to now is 20.8 secs
|
|
|
|
total energy = -453.96623845 Ry
|
|
Harris-Foulkes estimate = -453.96625172 Ry
|
|
estimated scf accuracy < 0.00003266 Ry
|
|
|
|
iteration # 5 ecut= 50.00 Ry beta=0.30
|
|
Davidson diagonalization with overlap
|
|
ethr = 1.81E-07, avg # of iterations = 2.5
|
|
|
|
total cpu time spent up to now is 24.9 secs
|
|
|
|
total energy = -453.96625031 Ry
|
|
Harris-Foulkes estimate = -453.96624927 Ry
|
|
estimated scf accuracy < 0.00000266 Ry
|
|
|
|
iteration # 6 ecut= 50.00 Ry beta=0.30
|
|
Davidson diagonalization with overlap
|
|
ethr = 1.48E-08, avg # of iterations = 2.0
|
|
|
|
total cpu time spent up to now is 28.2 secs
|
|
|
|
total energy = -453.96625069 Ry
|
|
Harris-Foulkes estimate = -453.96625110 Ry
|
|
estimated scf accuracy < 0.00000124 Ry
|
|
|
|
iteration # 7 ecut= 50.00 Ry beta=0.30
|
|
Davidson diagonalization with overlap
|
|
ethr = 6.87E-09, avg # of iterations = 2.0
|
|
|
|
total cpu time spent up to now is 31.8 secs
|
|
|
|
total energy = -453.96625084 Ry
|
|
Harris-Foulkes estimate = -453.96625089 Ry
|
|
estimated scf accuracy < 0.00000008 Ry
|
|
|
|
iteration # 8 ecut= 50.00 Ry beta=0.30
|
|
Davidson diagonalization with overlap
|
|
ethr = 4.67E-10, avg # of iterations = 2.0
|
|
|
|
total cpu time spent up to now is 35.2 secs
|
|
|
|
End of self-consistent calculation
|
|
|
|
k = 0.0000 0.0000 0.0000 ( 1837 PWs) bands (ev):
|
|
|
|
-7.2003 -7.2003 -7.2003 -7.1218 -7.1218 -5.1280 7.6004 7.6004
|
|
7.6004 8.1064 11.3207 11.3207 11.3207 15.2728 17.7565 17.7565
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0312 0.0312-0.0312 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2011 -7.2000 -7.2000 -7.1218 -7.1218 -5.1165 7.2713 7.5833
|
|
7.5833 8.3869 11.3362 11.3462 11.3462 15.3430 17.6473 17.6473
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.0625-0.0625 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2038 -7.1993 -7.1993 -7.1218 -7.1218 -5.0820 6.7496 7.5342
|
|
7.5342 8.7540 11.3979 11.4197 11.4197 15.5439 17.4065 17.4065
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.0938-0.0938 ( 1835 PWs) bands (ev):
|
|
|
|
-7.2080 -7.1982 -7.1982 -7.1219 -7.1219 -5.0250 6.1949 7.4583
|
|
7.4583 9.0297 11.5325 11.5325 11.5410 15.8478 17.1424 17.1424
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.1250-0.1250 ( 1841 PWs) bands (ev):
|
|
|
|
-7.2135 -7.1967 -7.1967 -7.1219 -7.1219 -4.9462 5.6305 7.3629
|
|
7.3629 9.1833 11.6719 11.6719 11.7925 16.2071 16.9071 16.9071
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.1562-0.1562 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2200 -7.1949 -7.1949 -7.1218 -7.1218 -4.8465 5.0673 7.2553
|
|
7.2553 9.2278 11.8226 11.8226 12.1474 16.5402 16.7265 16.7265
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.1875-0.1875 ( 1841 PWs) bands (ev):
|
|
|
|
-7.2273 -7.1930 -7.1930 -7.1217 -7.1217 -4.7274 4.5127 7.1421
|
|
7.1421 9.1983 11.9689 11.9689 12.5780 16.6185 16.6185 16.7326
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.2188-0.2188 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2348 -7.1910 -7.1910 -7.1215 -7.1215 -4.5906 3.9728 7.0288
|
|
7.0288 9.1280 12.0958 12.0958 13.0563 16.5963 16.5963 16.7420
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.2500-0.2500 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2425 -7.1890 -7.1890 -7.1212 -7.1212 -4.4384 3.4533 6.9196
|
|
6.9196 9.0397 12.1927 12.1927 13.5608 16.6472 16.6687 16.6687
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.2812-0.2812 ( 1841 PWs) bands (ev):
|
|
|
|
-7.2499 -7.1872 -7.1872 -7.1207 -7.1207 -4.2740 2.9600 6.8178
|
|
6.8178 8.9471 12.2551 12.2551 14.0728 16.5299 16.8380 16.8380
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.3125-0.3125 ( 1841 PWs) bands (ev):
|
|
|
|
-7.2569 -7.1855 -7.1855 -7.1201 -7.1201 -4.1016 2.4991 6.7259
|
|
6.7259 8.8585 12.2851 12.2851 14.5667 16.4457 17.0997 17.0997
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3438 0.3438-0.3438 ( 1847 PWs) bands (ev):
|
|
|
|
-7.2631 -7.1841 -7.1841 -7.1195 -7.1195 -3.9271 2.0781 6.6457
|
|
6.6457 8.7789 12.2902 12.2902 14.9930 16.4550 17.4437 17.4437
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.3750-0.3750 ( 1838 PWs) bands (ev):
|
|
|
|
-7.2684 -7.1830 -7.1830 -7.1188 -7.1188 -3.7583 1.7060 6.5785
|
|
6.5785 8.7111 12.2794 12.2794 15.2737 16.6365 17.8576 17.8576
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4062 0.4062-0.4062 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2727 -7.1821 -7.1821 -7.1182 -7.1182 -3.6055 1.3942 6.5254
|
|
6.5254 8.6570 12.2617 12.2617 15.3896 17.0014 18.3264 18.3264
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4375 0.4375-0.4375 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2758 -7.1815 -7.1815 -7.1177 -7.1177 -3.4814 1.1561 6.4871
|
|
6.4871 8.6178 12.2441 12.2441 15.4157 17.4498 18.8295 18.8295
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4688 0.4688-0.4688 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2778 -7.1811 -7.1811 -7.1174 -7.1174 -3.3995 1.0055 6.4639
|
|
6.4639 8.5940 12.2316 12.2316 15.4145 17.8531 19.3165 19.3165
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.5000 0.5000 ( 1802 PWs) bands (ev):
|
|
|
|
-7.2784 -7.1810 -7.1810 -7.1172 -7.1172 -3.3708 0.9538 6.4561
|
|
6.4561 8.5861 12.2271 12.2271 15.4119 18.0319 19.5793 19.5793
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0625 0.0000 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2017 -7.1998 -7.1998 -7.1220 -7.1217 -5.1126 7.2340 7.5477
|
|
7.5477 8.4703 11.2637 11.3926 11.3926 15.3658 17.4694 17.7729
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0312 0.0938-0.0312 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2039 -7.1992 -7.1991 -7.1221 -7.1215 -5.0858 6.8402 7.4820
|
|
7.5134 8.7751 11.2338 11.4855 11.4857 15.5218 17.1918 17.6843
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.1250-0.0625 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2075 -7.1984 -7.1980 -7.1223 -7.1214 -5.0363 6.3296 7.3927
|
|
7.4667 9.0607 11.2637 11.6153 11.6334 15.7898 16.9053 17.4738
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.1562-0.0938 ( 1839 PWs) bands (ev):
|
|
|
|
-7.2126 -7.1971 -7.1965 -7.1225 -7.1213 -4.9648 5.7856 7.2874
|
|
7.3930 9.2486 11.3617 11.7691 11.8504 16.1281 16.6565 17.2477
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.1875-0.1250 ( 1838 PWs) bands (ev):
|
|
|
|
-7.2187 -7.1956 -7.1948 -7.1226 -7.1212 -4.8720 5.2321 7.1733
|
|
7.2979 9.3265 11.5138 11.9322 12.1448 16.3718 16.5702 17.0581
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.2188-0.1562 ( 1834 PWs) bands (ev):
|
|
|
|
-7.2256 -7.1938 -7.1929 -7.1227 -7.1210 -4.7594 4.6813 7.0567
|
|
7.1889 9.3196 11.6859 12.0888 12.5120 16.2843 16.7959 16.9321
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.2500-0.1875 ( 1839 PWs) bands (ev):
|
|
|
|
-7.2330 -7.1918 -7.1908 -7.1226 -7.1207 -4.6284 4.1410 6.9425
|
|
7.0731 9.2620 11.8482 12.2243 12.9351 16.2371 16.8860 16.8873
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.2812-0.2188 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2406 -7.1899 -7.1889 -7.1224 -7.1203 -4.4812 3.6179 6.8349
|
|
6.9562 9.1797 11.9820 12.3273 13.3942 16.2726 16.8450 16.9350
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.3125-0.2500 ( 1837 PWs) bands (ev):
|
|
|
|
-7.2480 -7.1880 -7.1870 -7.1220 -7.1199 -4.3207 3.1181 6.7365
|
|
6.8428 9.0890 12.0790 12.3920 13.8714 16.3742 16.7853 17.0798
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.3438-0.2812 ( 1841 PWs) bands (ev):
|
|
|
|
-7.2551 -7.1862 -7.1853 -7.1214 -7.1194 -4.1506 2.6479 6.6498
|
|
6.7362 8.9997 12.1392 12.4201 14.3474 16.4496 16.8584 17.3185
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.3750-0.3125 ( 1844 PWs) bands (ev):
|
|
|
|
-7.2615 -7.1847 -7.1839 -7.1208 -7.1188 -3.9763 2.2144 6.5762
|
|
6.6391 8.9177 12.1693 12.4184 14.7908 16.4686 17.1336 17.6421
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3438 0.4062-0.3438 ( 1838 PWs) bands (ev):
|
|
|
|
-7.2670 -7.1834 -7.1827 -7.1200 -7.1182 -3.8048 1.8262 6.5169
|
|
6.5534 8.8463 12.1793 12.3966 15.1451 16.5653 17.5243 18.0376
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.4375-0.3750 ( 1838 PWs) bands (ev):
|
|
|
|
-7.2716 -7.1824 -7.1818 -7.1193 -7.1177 -3.6456 1.4940 6.4727
|
|
6.4806 8.7879 12.1792 12.3642 15.3530 16.8248 17.9834 18.4892
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4062 0.4688-0.4062 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2751 -7.1817 -7.1812 -7.1185 -7.1174 -3.5106 1.2306 6.4217
|
|
6.4441 8.7437 12.1771 12.3291 15.4350 17.2200 18.4817 18.9728
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4375 0.5000-0.4375 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2774 -7.1812 -7.1808 -7.1180 -7.1172 -3.4134 1.0499 6.3776
|
|
6.4312 8.7146 12.1792 12.2971 15.4574 17.6449 18.9759 19.4229
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.4688 0.5312 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2785 -7.1809 -7.1807 -7.1176 -7.1172 -3.3661 0.9646 6.3490
|
|
6.4342 8.7009 12.1889 12.2721 15.4617 17.9383 19.3556 19.5771
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.4375 0.5000 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2783 -7.1809 -7.1808 -7.1174 -7.1174 -3.3758 0.9819 6.3361
|
|
6.4529 8.7030 12.2081 12.2556 15.4626 17.8882 19.2224 19.5308
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.4062 0.4688 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2768 -7.1811 -7.1811 -7.1179 -7.1174 -3.4408 1.1001 6.3393
|
|
6.4870 8.7206 12.2361 12.2476 15.4578 17.5411 18.7053 19.3466
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.3750 0.4375 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2741 -7.1818 -7.1815 -7.1186 -7.1177 -3.5522 1.3100 6.3587
|
|
6.5360 8.7537 12.2459 12.2706 15.4258 17.1116 18.1846 18.8971
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.3438 0.4062 ( 1838 PWs) bands (ev):
|
|
|
|
-7.2702 -7.1826 -7.1822 -7.1193 -7.1181 -3.6967 1.5980 6.3941
|
|
6.5991 8.8017 12.2462 12.3070 15.3144 16.7444 17.6999 18.4208
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750-0.3125 0.3750 ( 1840 PWs) bands (ev):
|
|
|
|
-7.2652 -7.1838 -7.1832 -7.1201 -7.1186 -3.8612 1.9501 6.4454
|
|
6.6754 8.8636 12.2425 12.3384 15.0579 16.5366 17.2693 17.9800
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3438-0.2812 0.3438 ( 1843 PWs) bands (ev):
|
|
|
|
-7.2594 -7.1852 -7.1844 -7.1208 -7.1192 -4.0345 2.3545 6.5119
|
|
6.7637 8.9378 12.2265 12.3551 14.6634 16.4900 16.9066 17.6016
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3125-0.2500 0.3125 ( 1839 PWs) bands (ev):
|
|
|
|
-7.2527 -7.1868 -7.1859 -7.1215 -7.1197 -4.2081 2.8010 6.5928
|
|
6.8623 9.0219 12.1897 12.3457 14.1991 16.5322 16.6242 17.3086
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2812-0.2188 0.2812 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2455 -7.1887 -7.1876 -7.1219 -7.1202 -4.3755 3.2817 6.6870
|
|
6.9690 9.1115 12.1247 12.2981 13.7164 16.4324 16.5938 17.1257
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500-0.1875 0.2500 ( 1834 PWs) bands (ev):
|
|
|
|
-7.2380 -7.1906 -7.1895 -7.1223 -7.1206 -4.5320 3.7897 6.7928
|
|
7.0809 9.1996 12.0290 12.2028 13.2444 16.3366 16.6296 17.0556
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2188-0.1562 0.2188 ( 1835 PWs) bands (ev):
|
|
|
|
-7.2305 -7.1926 -7.1915 -7.1225 -7.1209 -4.6740 4.3188 6.9079
|
|
7.1944 9.2744 11.9064 12.0553 12.8052 16.3362 16.6501 17.0153
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1875-0.1250 0.1875 ( 1838 PWs) bands (ev):
|
|
|
|
-7.2231 -7.1946 -7.1934 -7.1225 -7.1212 -4.7991 4.8625 7.0291
|
|
7.3048 9.3162 11.7675 11.8612 12.4203 16.4240 16.6196 16.9467
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1562-0.0938 0.1562 ( 1838 PWs) bands (ev):
|
|
|
|
-7.2165 -7.1964 -7.1953 -7.1225 -7.1213 -4.9053 5.4137 7.1527
|
|
7.4060 9.2956 11.6269 11.6472 12.1023 16.3678 16.5885 17.0213
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250-0.0625 0.1250 ( 1840 PWs) bands (ev):
|
|
|
|
-7.2106 -7.1979 -7.1969 -7.1223 -7.1215 -4.9910 5.9625 7.2738
|
|
7.4911 9.1785 11.4655 11.5010 11.8446 16.0142 16.8160 17.2091
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0938-0.0312 0.0938 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2060 -7.1990 -7.1983 -7.1221 -7.1216 -5.0553 6.4927 7.3880
|
|
7.5530 8.9501 11.3573 11.4048 11.6343 15.6908 17.0896 17.4331
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0625 0.0000 0.0625 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2027 -7.1998 -7.1994 -7.1220 -7.1217 -5.0973 6.9659 7.4944
|
|
7.5850 8.6427 11.3229 11.3507 11.4669 15.4563 17.3840 17.6193
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1250 0.0000 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2059 -7.1985 -7.1985 -7.1225 -7.1212 -5.0667 6.6970 7.4017
|
|
7.4017 8.9956 11.1097 11.5965 11.5965 15.6265 16.8948 17.8219
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0312 0.1562-0.0312 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2093 -7.1975 -7.1974 -7.1229 -7.1210 -5.0248 6.3300 7.3006
|
|
7.3311 9.2580 11.0470 11.7427 11.7518 15.8432 16.5989 17.7581
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.1875-0.0625 ( 1840 PWs) bands (ev):
|
|
|
|
-7.2139 -7.1964 -7.1959 -7.1232 -7.1207 -4.9608 5.8557 7.1863
|
|
7.2659 9.4661 11.0582 11.9114 11.9637 16.1069 16.3816 17.5849
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.2188-0.0938 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2195 -7.1950 -7.1941 -7.1235 -7.1205 -4.8753 5.3405 7.0660
|
|
7.1809 9.5790 11.1505 12.0883 12.2327 16.0641 16.5753 17.4043
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.2500-0.1250 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2260 -7.1934 -7.1922 -7.1237 -7.1202 -4.7696 4.8118 6.9456
|
|
7.0757 9.6005 11.3081 12.2581 12.5474 15.9402 16.8967 17.2679
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.2812-0.1562 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2330 -7.1916 -7.1902 -7.1238 -7.1199 -4.6449 4.2842 6.8299
|
|
6.9568 9.5604 11.4953 12.4059 12.8921 15.8963 17.0947 17.2032
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.3125-0.1875 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2402 -7.1898 -7.1881 -7.1237 -7.1195 -4.5034 3.7672 6.7225
|
|
6.8312 9.4874 11.6763 12.5195 13.2556 15.9521 17.1251 17.2265
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.3438-0.2188 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2474 -7.1880 -7.1862 -7.1235 -7.1190 -4.3475 3.2684 6.6260
|
|
6.7051 9.4009 11.8255 12.5919 13.6339 16.1067 17.0684 17.3456
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.3750-0.2500 ( 1840 PWs) bands (ev):
|
|
|
|
-7.2543 -7.1863 -7.1845 -7.1231 -7.1186 -4.1807 2.7949 6.5426
|
|
6.5830 9.3125 11.9312 12.6232 14.0265 16.3270 17.0269 17.5599
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.4062-0.2812 ( 1840 PWs) bands (ev):
|
|
|
|
-7.2607 -7.1848 -7.1830 -7.1224 -7.1181 -4.0078 2.3541 6.4686
|
|
6.4738 9.2288 11.9958 12.6197 14.4277 16.5146 17.1276 17.8615
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.4375-0.3125 ( 1840 PWs) bands (ev):
|
|
|
|
-7.2663 -7.1834 -7.1818 -7.1217 -7.1176 -3.8352 1.9544 6.3645
|
|
6.4204 9.1541 12.0302 12.5911 14.8171 16.6070 17.4485 18.2374
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3438 0.4688-0.3438 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2711 -7.1824 -7.1809 -7.1208 -7.1172 -3.6714 1.6060 6.2725
|
|
6.3832 9.0910 12.0475 12.5475 15.1537 16.7201 17.8951 18.6705
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.5000-0.3750 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2748 -7.1815 -7.1802 -7.1199 -7.1169 -3.5276 1.3209 6.1943
|
|
6.3625 9.0412 12.0588 12.4977 15.3889 16.9493 18.3854 19.1323
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4062 0.5312-0.4062 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2774 -7.1809 -7.1799 -7.1191 -7.1169 -3.4169 1.1131 6.1309
|
|
6.3585 9.0056 12.0723 12.4486 15.5154 17.2956 18.8410 19.5371
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.4375 0.5625 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2788 -7.1805 -7.1797 -7.1185 -7.1170 -3.3523 0.9961 6.0834
|
|
6.3710 8.9850 12.0930 12.4045 15.5706 17.6589 19.0770 19.5720
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.4062 0.5312 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2790 -7.1804 -7.1798 -7.1180 -7.1174 -3.3428 0.9793 6.0523
|
|
6.3997 8.9796 12.1237 12.3680 15.5871 17.8048 19.1384 19.1440
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.3750 0.5000 ( 1830 PWs) bands (ev):
|
|
|
|
-7.2780 -7.1805 -7.1802 -7.1180 -7.1178 -3.3899 1.0640 6.0383
|
|
6.4440 8.9896 12.1646 12.3396 15.5720 17.5756 18.6021 19.4155
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.3438 0.4688 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2757 -7.1808 -7.1808 -7.1188 -7.1177 -3.4868 1.2433 6.0416
|
|
6.5032 9.0147 12.2141 12.3178 15.5060 17.2088 18.0657 19.4872
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.3125 0.4375 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2723 -7.1817 -7.1813 -7.1197 -7.1179 -3.6211 1.5045 6.0627
|
|
6.5764 9.0544 12.2680 12.2993 15.3440 16.9004 17.5667 19.0967
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.2812 0.4062 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2678 -7.1828 -7.1821 -7.1206 -7.1182 -3.7796 1.8334 6.1016
|
|
6.6624 9.1080 12.2786 12.3194 15.0529 16.7305 17.1212 18.6429
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750-0.2500 0.3750 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2624 -7.1842 -7.1831 -7.1214 -7.1186 -3.9503 2.2172 6.1582
|
|
6.7594 9.1739 12.2483 12.3575 14.6625 16.6823 16.7421 18.2257
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3438-0.2188 0.3438 ( 1841 PWs) bands (ev):
|
|
|
|
-7.2562 -7.1859 -7.1844 -7.1221 -7.1191 -4.1240 2.6449 6.2324
|
|
6.8655 9.2497 12.2004 12.3671 14.2316 16.4416 16.6950 17.8824
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3125-0.1875 0.3125 ( 1838 PWs) bands (ev):
|
|
|
|
-7.2493 -7.1877 -7.1859 -7.1226 -7.1195 -4.2933 3.1074 6.3238
|
|
6.9781 9.3315 12.1280 12.3286 13.8048 16.2300 16.7134 17.6412
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2812-0.1562 0.2812 ( 1834 PWs) bands (ev):
|
|
|
|
-7.2421 -7.1897 -7.1876 -7.1230 -7.1199 -4.4532 3.5968 6.4316
|
|
7.0938 9.4127 12.0285 12.2224 13.4104 16.1136 16.7081 17.4993
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500-0.1250 0.2500 ( 1841 PWs) bands (ev):
|
|
|
|
-7.2348 -7.1918 -7.1895 -7.1232 -7.1203 -4.5998 4.1053 6.5552
|
|
7.2085 9.4823 11.9057 12.0430 13.0611 16.0924 16.6957 17.3776
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2188-0.0938 0.2188 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2276 -7.1938 -7.1914 -7.1232 -7.1206 -4.7303 4.6246 6.6937
|
|
7.3169 9.5218 11.7701 11.8163 12.7485 16.1601 16.6944 17.1806
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1875-0.0625 0.1875 ( 1840 PWs) bands (ev):
|
|
|
|
-7.2209 -7.1956 -7.1934 -7.1230 -7.1209 -4.8425 5.1438 6.8463
|
|
7.4125 9.5038 11.5952 11.6368 12.4538 16.3064 16.5861 17.0381
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1562-0.0312 0.1562 ( 1842 PWs) bands (ev):
|
|
|
|
-7.2148 -7.1971 -7.1952 -7.1228 -7.1211 -4.9348 5.6475 7.0132
|
|
7.4882 9.3992 11.4337 11.5221 12.1667 16.2726 16.5193 17.1276
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 0.0000 0.1250 ( 1841 PWs) bands (ev):
|
|
|
|
-7.2098 -7.1983 -7.1969 -7.1225 -7.1213 -5.0060 6.1103 7.1957
|
|
7.5369 9.2012 11.3581 11.4410 11.8899 15.9454 16.7856 17.2980
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1875 0.0000 ( 1840 PWs) bands (ev):
|
|
|
|
-7.2126 -7.1963 -7.1963 -7.1234 -7.1206 -4.9907 6.1485 7.1897
|
|
7.1897 9.5087 10.8985 11.9045 11.9045 15.9765 16.3246 17.9036
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0312 0.2188-0.0312 ( 1837 PWs) bands (ev):
|
|
|
|
-7.2169 -7.1949 -7.1948 -7.1240 -7.1202 -4.9343 5.8033 7.0678
|
|
7.0895 9.7292 10.8264 12.0884 12.1050 15.9288 16.3656 17.8678
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.2500-0.0625 ( 1837 PWs) bands (ev):
|
|
|
|
-7.2222 -7.1935 -7.1930 -7.1245 -7.1198 -4.8564 5.3649 6.9418
|
|
6.9974 9.8745 10.8411 12.2805 12.3528 15.7399 16.6782 17.7386
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.2812-0.0938 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2282 -7.1920 -7.1911 -7.1249 -7.1195 -4.7578 4.8835 6.8176
|
|
6.8909 9.9285 10.9473 12.4659 12.6283 15.6152 17.0295 17.6104
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.3125-0.1250 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2346 -7.1904 -7.1890 -7.1252 -7.1191 -4.6400 4.3859 6.6995
|
|
6.7676 9.9095 11.1226 12.6297 12.9037 15.5943 17.3160 17.5339
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.3438-0.1562 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2414 -7.1888 -7.1869 -7.1253 -7.1186 -4.5046 3.8878 6.5912
|
|
6.6331 9.8487 11.3283 12.7586 13.1611 15.6959 17.4465 17.5360
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.3750-0.1875 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2482 -7.1871 -7.1850 -7.1252 -7.1182 -4.3541 3.4000 6.4940
|
|
6.4951 9.7687 11.5273 12.8439 13.4079 15.9164 17.4382 17.6301
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.4062-0.2188 ( 1834 PWs) bands (ev):
|
|
|
|
-7.2548 -7.1855 -7.1832 -7.1249 -7.1177 -4.1915 2.9312 6.3563
|
|
6.4133 9.6829 11.6907 12.8840 13.6718 16.2242 17.3838 17.8194
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.4375-0.2500 ( 1837 PWs) bands (ev):
|
|
|
|
-7.2610 -7.1841 -7.1817 -7.1244 -7.1173 -4.0212 2.4897 6.2245
|
|
6.3471 9.5993 11.8049 12.8840 13.9782 16.5499 17.3821 18.0979
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.4688-0.2812 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2665 -7.1828 -7.1804 -7.1236 -7.1169 -3.8488 2.0841 6.1020
|
|
6.2975 9.5226 11.8742 12.8533 14.3307 16.7670 17.5656 18.4532
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.5000-0.3125 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2712 -7.1818 -7.1794 -7.1227 -7.1166 -3.6822 1.7245 5.9913
|
|
6.2651 9.4560 11.9132 12.8027 14.7108 16.8517 17.9589 18.8668
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3438 0.5312-0.3438 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2750 -7.1809 -7.1787 -7.1218 -7.1164 -3.5317 1.4224 5.8944
|
|
6.2502 9.4016 11.9376 12.7418 15.0819 16.9305 18.4330 19.3046
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.5625-0.3750 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2778 -7.1803 -7.1783 -7.1208 -7.1165 -3.4096 1.1915 5.8127
|
|
6.2528 9.3607 11.9596 12.6784 15.3930 17.0877 18.8578 19.6542
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.4062 0.5938 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2795 -7.1799 -7.1782 -7.1199 -7.1168 -3.3293 1.0458 5.7474
|
|
6.2728 9.3340 11.9868 12.6177 15.6008 17.3453 18.9734 19.5682
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.3750 0.5625 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2800 -7.1797 -7.1783 -7.1192 -7.1173 -3.3013 0.9964 5.6994
|
|
6.3095 9.3222 12.0237 12.5629 15.6993 17.6018 18.8009 19.0839
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.3438 0.5312 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2793 -7.1797 -7.1787 -7.1187 -7.1180 -3.3299 1.0474 5.6697
|
|
6.3625 9.3254 12.0720 12.5152 15.7009 17.5836 18.5215 18.8983
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.3125 0.5000 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2775 -7.1799 -7.1793 -7.1189 -7.1183 -3.4107 1.1946 5.6588
|
|
6.4307 9.3433 12.1310 12.4738 15.5971 17.3371 17.9713 19.3169
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.2812 0.4688 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2745 -7.1803 -7.1802 -7.1199 -7.1182 -3.5331 1.4265 5.6675
|
|
6.5131 9.3755 12.1976 12.4359 15.3657 17.1249 17.4598 19.6515
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.2500 0.4375 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2705 -7.1813 -7.1809 -7.1209 -7.1182 -3.6839 1.7291 5.6962
|
|
6.6079 9.4211 12.2654 12.3967 15.0185 17.0014 17.0218 19.3519
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.2188 0.4062 ( 1838 PWs) bands (ev):
|
|
|
|
-7.2656 -7.1828 -7.1817 -7.1219 -7.1185 -3.8505 2.0887 5.7454
|
|
6.7134 9.4783 12.3234 12.3495 14.6077 16.6086 17.0001 18.9118
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750-0.1875 0.3750 ( 1841 PWs) bands (ev):
|
|
|
|
-7.2599 -7.1844 -7.1828 -7.1227 -7.1188 -4.0228 2.4931 5.8159
|
|
6.8272 9.5448 12.2868 12.3537 14.1882 16.2932 17.0105 18.5110
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3438-0.1562 0.3438 ( 1838 PWs) bands (ev):
|
|
|
|
-7.2536 -7.1863 -7.1841 -7.1232 -7.1191 -4.1930 2.9317 5.9082
|
|
6.9461 9.6162 12.2022 12.3294 13.8035 16.0656 17.0060 18.1909
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3125-0.1250 0.3125 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2468 -7.1884 -7.1857 -7.1236 -7.1195 -4.3555 3.3950 6.0233
|
|
7.0664 9.6853 12.0936 12.2216 13.4850 15.9322 16.9555 17.9568
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2812-0.0938 0.2812 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2398 -7.1904 -7.1874 -7.1238 -7.1198 -4.5058 3.8729 6.1628
|
|
7.1833 9.7401 11.9654 12.0290 13.2329 15.8932 16.8754 17.7420
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500-0.0625 0.2500 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2329 -7.1925 -7.1893 -7.1237 -7.1202 -4.6410 4.3538 6.3288
|
|
7.2909 9.7609 11.7982 11.8285 13.0061 15.9428 16.8145 17.4575
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2188-0.0312 0.2188 ( 1834 PWs) bands (ev):
|
|
|
|
-7.2262 -7.1943 -7.1913 -7.1235 -7.1205 -4.7587 4.8231 6.5250
|
|
7.3824 9.7205 11.5954 11.6984 12.7605 16.0711 16.7763 17.1387
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1875 0.0000 0.1875 ( 1839 PWs) bands (ev):
|
|
|
|
-7.2201 -7.1959 -7.1933 -7.1232 -7.1208 -4.8570 5.2615 6.7543
|
|
7.4504 9.5970 11.4700 11.5914 12.4785 16.2671 16.5814 17.0350
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2500 0.0000 ( 1840 PWs) bands (ev):
|
|
|
|
-7.2211 -7.1933 -7.1933 -7.1247 -7.1197 -4.8857 5.6025 6.9396
|
|
6.9396 9.9515 10.6890 12.2881 12.2881 15.6619 16.5708 18.0179
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0312 0.2812-0.0312 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2261 -7.1917 -7.1915 -7.1254 -7.1192 -4.8154 5.2753 6.8086
|
|
6.8199 10.0923 10.6543 12.4970 12.5147 15.4457 16.8686 18.0125
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.3125-0.0625 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2318 -7.1900 -7.1895 -7.1261 -7.1187 -4.7243 4.8698 6.6805
|
|
6.7026 10.1554 10.7110 12.7006 12.7592 15.3230 17.2145 17.9327
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.3438-0.0938 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2378 -7.1884 -7.1874 -7.1266 -7.1183 -4.6136 4.4238 6.5596
|
|
6.5720 10.1611 10.8417 12.8839 12.9774 15.3300 17.5473 17.8634
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.3750-0.1250 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2441 -7.1868 -7.1853 -7.1269 -7.1178 -4.4849 3.9611 6.4274
|
|
6.4494 10.1260 11.0287 13.0327 13.1387 15.4875 17.7764 17.8528
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.4062-0.1562 ( 1830 PWs) bands (ev):
|
|
|
|
-7.2505 -7.1853 -7.1833 -7.1271 -7.1173 -4.3404 3.4972 6.2744
|
|
6.3524 10.0656 11.2458 13.1364 13.2560 15.7804 17.8494 17.9253
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.4375-0.1875 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2566 -7.1839 -7.1814 -7.1269 -7.1168 -4.1828 3.0435 6.1198
|
|
6.2706 9.9929 11.4595 13.1911 13.3776 16.1642 17.8219 18.0905
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.4688-0.2188 ( 1839 PWs) bands (ev):
|
|
|
|
-7.2624 -7.1826 -7.1798 -7.1265 -7.1164 -4.0160 2.6099 5.9693
|
|
6.2052 9.9172 11.6372 13.2002 13.5551 16.5811 17.7857 18.3458
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.5000-0.2500 ( 1840 PWs) bands (ev):
|
|
|
|
-7.2677 -7.1815 -7.1785 -7.1259 -7.1161 -3.8452 2.2058 5.8272
|
|
6.1574 9.8449 11.7604 13.1727 13.8170 16.9393 17.8472 18.6800
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.5312-0.2812 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2723 -7.1805 -7.1775 -7.1250 -7.1159 -3.6776 1.8414 5.6968
|
|
6.1276 9.7805 11.8340 13.1196 14.1598 17.1204 18.1247 19.0733
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.5625-0.3125 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2760 -7.1798 -7.1767 -7.1240 -7.1158 -3.5223 1.5282 5.5803
|
|
6.1162 9.7268 11.8764 13.0515 14.5574 17.1703 18.5569 19.4851
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3438 0.5938-0.3438 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2788 -7.1792 -7.1763 -7.1229 -7.1160 -3.3911 1.2794 5.4797
|
|
6.1231 9.6856 11.9058 12.9771 14.9726 17.2017 18.9568 19.7690
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.3750 0.6250 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2805 -7.1789 -7.1761 -7.1219 -7.1164 -3.2970 1.1092 5.3964
|
|
6.1482 9.6582 11.9351 12.9025 15.3546 17.2703 19.0077 19.5706
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.3438 0.5938 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2813 -7.1787 -7.1762 -7.1209 -7.1171 -3.2518 1.0300 5.3315
|
|
6.1908 9.6452 11.9717 12.8316 15.6348 17.3906 18.7374 19.0439
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.3125 0.5625 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2809 -7.1787 -7.1766 -7.1201 -7.1179 -3.2619 1.0483 5.2863
|
|
6.2503 9.6466 12.0197 12.7662 15.7435 17.4817 18.4648 18.6000
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.2812 0.5312 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2794 -7.1788 -7.1772 -7.1194 -7.1189 -3.3258 1.1626 5.2618
|
|
6.3256 9.6622 12.0799 12.7061 15.6469 17.4365 17.9029 18.8276
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.2500 0.5000 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2769 -7.1791 -7.1782 -7.1200 -7.1190 -3.4347 1.3634 5.2588
|
|
6.4153 9.6913 12.1509 12.6489 15.3669 17.3705 17.3809 19.2894
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.2188 0.4688 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2734 -7.1796 -7.1794 -7.1211 -7.1188 -3.5759 1.6368 5.2786
|
|
6.5178 9.7326 12.2276 12.5902 14.9722 16.9121 17.3591 19.7612
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.1875 0.4375 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2690 -7.1808 -7.1803 -7.1222 -7.1187 -3.7367 1.9684 5.3224
|
|
6.6308 9.7841 12.3005 12.5238 14.5338 16.5087 17.3871 19.5984
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.1562 0.4062 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2639 -7.1825 -7.1813 -7.1230 -7.1188 -3.9062 2.3447 5.3918
|
|
6.7516 9.8427 12.3513 12.4426 14.1055 16.1825 17.4214 19.1524
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750-0.1250 0.3750 ( 1839 PWs) bands (ev):
|
|
|
|
-7.2581 -7.1845 -7.1825 -7.1237 -7.1190 -4.0761 2.7533 5.4890
|
|
6.8767 9.9028 12.3410 12.3480 13.7350 15.9435 17.4222 18.7426
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3438-0.0938 0.3438 ( 1834 PWs) bands (ev):
|
|
|
|
-7.2518 -7.1866 -7.1838 -7.1241 -7.1192 -4.2400 3.1822 5.6170
|
|
7.0019 9.9557 12.2177 12.2513 13.4660 15.7980 17.3481 18.4010
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3125-0.0625 0.3125 ( 1835 PWs) bands (ev):
|
|
|
|
-7.2453 -7.1887 -7.1855 -7.1242 -7.1195 -4.3932 3.6186 5.7800
|
|
7.1219 9.9863 12.0616 12.0781 13.2978 15.7456 17.1963 18.0969
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2812-0.0312 0.2812 ( 1838 PWs) bands (ev):
|
|
|
|
-7.2387 -7.1908 -7.1873 -7.1242 -7.1198 -4.5323 4.0481 5.9834
|
|
7.2301 9.9716 11.8450 11.9342 13.1649 15.7803 17.0236 17.7699
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.0000 0.2500 ( 1839 PWs) bands (ev):
|
|
|
|
-7.2323 -7.1927 -7.1892 -7.1239 -7.1201 -4.6548 4.4546 6.2320
|
|
7.3195 9.8858 11.6768 11.8021 12.9976 15.8924 16.8876 17.4235
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3125 0.0000 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2309 -7.1897 -7.1897 -7.1264 -7.1186 -4.7528 5.0629 6.6733
|
|
6.6733 10.1385 10.6543 12.7246 12.7246 15.2135 17.1362 18.1647
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0312 0.3438-0.0312 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2363 -7.1878 -7.1876 -7.1273 -7.1181 -4.6693 4.7515 6.5413
|
|
6.5423 10.1145 10.7367 12.9493 12.9553 15.0830 17.4605 18.1910
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.3750-0.0625 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2421 -7.1860 -7.1855 -7.1280 -7.1175 -4.5660 4.3763 6.4046
|
|
6.4173 10.1165 10.8192 13.1429 13.1559 15.1052 17.8042 18.1647
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.4062-0.0938 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2480 -7.1843 -7.1833 -7.1286 -7.1170 -4.4444 3.9660 6.2510
|
|
6.3045 10.1366 10.9209 13.2373 13.3294 15.3106 18.1007 18.1596
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.4375-0.1250 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2539 -7.1828 -7.1812 -7.1290 -7.1165 -4.3064 3.5406 6.0844
|
|
6.2055 10.1418 11.0739 13.2553 13.4573 15.6685 18.2191 18.2696
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.4688-0.1562 ( 1834 PWs) bands (ev):
|
|
|
|
-7.2596 -7.1815 -7.1793 -7.1290 -7.1160 -4.1545 3.1145 5.9119
|
|
6.1223 10.1186 11.2791 13.2542 13.5329 16.1171 18.3015 18.3638
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.5000-0.1875 ( 1837 PWs) bands (ev):
|
|
|
|
-7.2650 -7.1803 -7.1776 -7.1288 -7.1156 -3.9922 2.6996 5.7408
|
|
6.0563 10.0749 11.5041 13.2905 13.5573 16.6009 18.2708 18.5972
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.5312-0.2188 ( 1834 PWs) bands (ev):
|
|
|
|
-7.2699 -7.1794 -7.1762 -7.1283 -7.1153 -3.8243 2.3064 5.5768
|
|
6.0085 10.0231 11.7041 13.4121 13.5385 17.0589 18.2675 18.9107
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.5625-0.2500 ( 1830 PWs) bands (ev):
|
|
|
|
-7.2742 -7.1786 -7.1751 -7.1275 -7.1151 -3.6571 1.9454 5.4242
|
|
5.9794 9.9725 11.8460 13.4878 13.6475 17.3847 18.4068 19.2838
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.5938-0.2812 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2777 -7.1780 -7.1743 -7.1265 -7.1151 -3.4992 1.6284 5.2860
|
|
5.9694 9.9291 11.9289 13.4165 13.9902 17.5019 18.7492 19.6675
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.6250-0.3125 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2804 -7.1776 -7.1739 -7.1254 -7.1154 -3.3612 1.3684 5.1646
|
|
5.9785 9.8966 11.9748 13.3345 14.4070 17.4952 19.1231 19.8782
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.3438 0.6562 ( 1811 PWs) bands (ev):
|
|
|
|
-7.2821 -7.1774 -7.1736 -7.1242 -7.1159 -3.2558 1.1794 5.0617
|
|
6.0064 9.8771 12.0060 13.2488 14.8561 17.4372 19.1600 19.5838
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.3125 0.6250 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2829 -7.1773 -7.1738 -7.1230 -7.1167 -3.1951 1.0746 4.9789
|
|
6.0527 9.8715 12.0371 13.1641 15.2820 17.3455 18.9033 19.0257
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.2812 0.5938 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2827 -7.1774 -7.1741 -7.1219 -7.1176 -3.1875 1.0628 4.9175
|
|
6.1164 9.8800 12.0765 13.0827 15.5839 17.2547 18.4332 18.7247
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.2500 0.5625 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2815 -7.1776 -7.1748 -7.1210 -7.1188 -3.2340 1.1447 4.8790
|
|
6.1967 9.9020 12.1281 13.0048 15.6098 17.2757 17.8619 18.7470
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.2188 0.5312 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2794 -7.1779 -7.1758 -7.1202 -7.1200 -3.3281 1.3130 4.8649
|
|
6.2919 9.9364 12.1925 12.9283 15.3418 17.3318 17.4275 18.9817
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.1875 0.5000 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2763 -7.1784 -7.1770 -7.1212 -7.1197 -3.4581 1.5546 4.8768
|
|
6.4002 9.9813 12.2675 12.8490 14.9230 16.8559 17.5998 19.3832
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.1562 0.4688 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2724 -7.1790 -7.1785 -7.1223 -7.1193 -3.6113 1.8544 4.9170
|
|
6.5192 10.0337 12.3460 12.7608 14.4600 16.4460 17.7422 19.8113
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.1250 0.4375 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2678 -7.1803 -7.1798 -7.1232 -7.1191 -3.7766 2.1974 4.9884
|
|
6.6460 10.0892 12.4123 12.6571 14.0125 16.1140 17.8448 19.7022
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.0938 0.4062 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2626 -7.1823 -7.1809 -7.1239 -7.1191 -3.9447 2.5688 5.0950
|
|
6.7768 10.1403 12.4327 12.5330 13.6340 15.8696 17.8869 19.2381
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750-0.0625 0.3750 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2569 -7.1845 -7.1822 -7.1243 -7.1191 -4.1088 2.9544 5.2420
|
|
6.9068 10.1750 12.3542 12.3885 13.3877 15.7180 17.8226 18.7961
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3438-0.0312 0.3438 ( 1835 PWs) bands (ev):
|
|
|
|
-7.2509 -7.1867 -7.1837 -7.1245 -7.1193 -4.2638 3.3390 5.4360
|
|
7.0304 10.1743 12.1729 12.2309 13.2846 15.6579 17.6139 18.4258
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3125 0.0000 0.3125 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2447 -7.1888 -7.1854 -7.1244 -7.1195 -4.4059 3.7077 5.6827
|
|
7.1407 10.1127 11.9770 12.0739 13.2399 15.6820 17.3125 18.0957
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3750 0.0000 ( 1840 PWs) bands (ev):
|
|
|
|
-7.2415 -7.1855 -7.1855 -7.1284 -7.1174 -4.5935 4.5319 6.4058
|
|
6.4058 9.9888 10.8400 13.1982 13.1982 14.9312 17.7619 18.3437
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0312 0.4062-0.0312 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2470 -7.1834 -7.1833 -7.1294 -7.1168 -4.4978 4.2349 6.2698
|
|
6.2783 9.9237 10.9020 13.4067 13.4322 14.9352 18.0976 18.4024
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.4375-0.0625 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2527 -7.1815 -7.1810 -7.1303 -7.1162 -4.3836 3.8878 6.1165
|
|
6.1624 9.9300 10.9415 13.4900 13.6355 15.1576 18.4254 18.4319
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.4688-0.0938 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2582 -7.1799 -7.1789 -7.1309 -7.1156 -4.2525 3.5127 5.9429
|
|
6.0607 9.9769 11.0032 13.4603 13.7938 15.5616 18.4943 18.6753
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.5000-0.1250 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2636 -7.1785 -7.1769 -7.1312 -7.1151 -4.1069 3.1262 5.7555
|
|
5.9751 10.0207 11.1287 13.3873 13.8972 16.0616 18.6261 18.7900
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.5312-0.1562 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2686 -7.1774 -7.1751 -7.1311 -7.1147 -3.9501 2.7413 5.5638
|
|
5.9072 10.0351 11.3314 13.3215 13.9441 16.5974 18.7962 18.8412
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.5625-0.1875 ( 1830 PWs) bands (ev):
|
|
|
|
-7.2731 -7.1766 -7.1736 -7.1308 -7.1144 -3.7862 2.3694 5.3760
|
|
5.8579 10.0225 11.5852 13.2995 13.9404 17.1220 18.7737 19.1358
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.5938-0.2188 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2770 -7.1760 -7.1725 -7.1301 -7.1143 -3.6210 2.0217 5.1983
|
|
5.8279 9.9976 11.8384 13.3611 13.8973 17.5630 18.8159 19.4895
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.6250-0.2500 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2802 -7.1756 -7.1716 -7.1292 -7.1144 -3.4623 1.7099 5.0353
|
|
5.8176 9.9724 12.0355 13.5476 13.8273 17.8019 19.0313 19.8447
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.6562-0.2812 ( 1812 PWs) bands (ev):
|
|
|
|
-7.2826 -7.1754 -7.1711 -7.1280 -7.1147 -3.3200 1.4469 4.8901
|
|
5.8270 9.9548 12.1538 13.7410 13.8688 17.8118 19.3670 19.9797
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.3125 0.6875 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2843 -7.1754 -7.1709 -7.1268 -7.1153 -3.2058 1.2465 4.7650
|
|
5.8559 9.9489 12.2154 13.6469 14.2889 17.6682 19.4432 19.6110
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.2812 0.6562 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2850 -7.1756 -7.1710 -7.1254 -7.1161 -3.1321 1.1223 4.6621
|
|
5.9038 9.9568 12.2517 13.5503 14.7542 17.4103 19.0303 19.2529
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.2500 0.6250 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2849 -7.1758 -7.1714 -7.1241 -7.1172 -3.1082 1.0844 4.5830
|
|
5.9698 9.9790 12.2835 13.4543 15.1910 17.0992 18.4279 19.1196
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.2188 0.5938 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2839 -7.1761 -7.1721 -7.1230 -7.1184 -3.1376 1.1359 4.5297
|
|
6.0529 10.0148 12.3219 13.3591 15.4348 16.9176 17.8500 19.0984
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.1875 0.5625 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2820 -7.1765 -7.1731 -7.1219 -7.1197 -3.2160 1.2715 4.5042
|
|
6.1516 10.0626 12.3720 13.2627 15.2840 17.0846 17.3151 19.1826
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.1562 0.5312 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2793 -7.1770 -7.1744 -7.1210 -7.1210 -3.3334 1.4792 4.5091
|
|
6.2640 10.1195 12.4351 13.1610 14.8760 16.8360 17.4577 19.3708
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.1250 0.5000 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2759 -7.1777 -7.1760 -7.1222 -7.1203 -3.4774 1.7433 4.5477
|
|
6.3875 10.1814 12.5084 13.0476 14.3972 16.4250 17.8290 19.6517
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.0938 0.4688 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2717 -7.1785 -7.1779 -7.1232 -7.1198 -3.6366 2.0472 4.6246
|
|
6.5190 10.2416 12.5815 12.9162 13.9274 16.0939 18.1104 19.8662
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.0625 0.4375 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2671 -7.1800 -7.1795 -7.1239 -7.1194 -3.8013 2.3742 4.7456
|
|
6.6546 10.2900 12.6227 12.7629 13.5269 15.8515 18.2703 19.5981
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.0312 0.4062 ( 1839 PWs) bands (ev):
|
|
|
|
-7.2620 -7.1822 -7.1807 -7.1244 -7.1192 -3.9643 2.7081 4.9174
|
|
6.7892 10.3105 12.5555 12.5900 13.2903 15.7013 18.2677 19.1274
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.0000 0.3750 ( 1835 PWs) bands (ev):
|
|
|
|
-7.2565 -7.1845 -7.1820 -7.1246 -7.1192 -4.1198 3.0336 5.1467
|
|
6.9169 10.2800 12.3627 12.4075 13.2501 15.6396 18.0283 18.7379
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4375 0.0000 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2523 -7.1810 -7.1810 -7.1307 -7.1161 -4.4098 4.0113 6.1474
|
|
6.1474 9.7752 10.9344 13.6978 13.6978 14.8754 18.4237 18.5547
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0312 0.4688-0.0312 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2577 -7.1788 -7.1786 -7.1318 -7.1154 -4.3031 3.7281 6.0110
|
|
6.0280 9.7141 10.9258 13.8614 13.9365 15.0432 18.6454 18.7599
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.5000-0.0625 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2631 -7.1769 -7.1764 -7.1327 -7.1148 -4.1793 3.4075 5.8468
|
|
5.9229 9.7335 10.9170 13.8474 14.1319 15.4552 18.7312 19.0595
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.5312-0.0938 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2681 -7.1754 -7.1743 -7.1332 -7.1143 -4.0407 3.0670 5.6567
|
|
5.8342 9.7983 10.9528 13.7550 14.2711 15.9891 18.8619 19.2570
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.5625-0.1250 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2728 -7.1742 -7.1724 -7.1334 -7.1138 -3.8900 2.7203 5.4511
|
|
5.7634 9.8620 11.0732 13.6486 14.3485 16.5644 19.0646 19.3255
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.5938-0.1562 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2769 -7.1734 -7.1709 -7.1333 -7.1135 -3.7312 2.3791 5.2416
|
|
5.7116 9.8961 11.2932 13.5557 14.3675 17.1364 19.3145 19.3434
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.6250-0.1875 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2805 -7.1729 -7.1696 -7.1327 -7.1134 -3.5696 2.0543 5.0382
|
|
5.6795 9.9029 11.5906 13.4957 14.3384 17.6516 19.3052 19.6800
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.6562-0.2188 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2834 -7.1727 -7.1687 -7.1319 -7.1135 -3.4121 1.7574 4.8478
|
|
5.6675 9.8984 11.9196 13.4949 14.2744 18.0029 19.4032 20.0084
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.6875-0.2500 ( 1812 PWs) bands (ev):
|
|
|
|
-7.2855 -7.1727 -7.1682 -7.1308 -7.1139 -3.2678 1.5008 4.6755
|
|
5.6757 9.8957 12.2185 13.5964 14.1876 18.0661 19.6767 20.0760
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.2812 0.7188 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2870 -7.1730 -7.1679 -7.1295 -7.1146 -3.1478 1.2979 4.5250
|
|
5.7039 9.9024 12.4276 13.8451 14.0876 17.8650 19.6547 19.8500
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.2500 0.6875 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2876 -7.1734 -7.1680 -7.1281 -7.1155 -3.0637 1.1621 4.3989
|
|
5.7517 9.9226 12.5412 13.9810 14.2310 17.4936 19.0590 19.7435
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.2188 0.6562 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2874 -7.1738 -7.1684 -7.1266 -7.1166 -3.0259 1.1042 4.2997
|
|
5.8183 9.9578 12.6005 13.8710 14.6853 17.0449 18.4504 19.6582
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.1875 0.6250 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2864 -7.1744 -7.1691 -7.1252 -7.1179 -3.0393 1.1291 4.2299
|
|
5.9025 10.0075 12.6412 13.7582 15.0893 16.6505 17.8694 19.6428
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.1562 0.5938 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2847 -7.1750 -7.1702 -7.1239 -7.1192 -3.1020 1.2333 4.1923
|
|
6.0030 10.0701 12.6820 13.6405 15.1711 16.5906 17.3339 19.6894
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.1250 0.5625 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2823 -7.1757 -7.1716 -7.1227 -7.1206 -3.2056 1.4058 4.1907
|
|
6.1177 10.1421 12.7319 13.5129 14.8344 16.8573 16.9604 19.7901
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.0938 0.5312 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2792 -7.1764 -7.1733 -7.1218 -7.1216 -3.3388 1.6307 4.2297
|
|
6.2441 10.2182 12.7940 13.3691 14.3546 16.4523 17.4712 19.9359
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.0625 0.5000 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2755 -7.1773 -7.1753 -7.1229 -7.1207 -3.4901 1.8903 4.3152
|
|
6.3791 10.2897 12.8653 13.2029 13.8650 16.1305 17.9617 20.0708
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.0312 0.4688 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2714 -7.1782 -7.1775 -7.1237 -7.1200 -3.6497 2.1667 4.4544
|
|
6.5185 10.3435 12.9216 13.0126 13.4348 15.8990 18.3321 19.9276
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375 0.0000 0.4375 ( 1841 PWs) bands (ev):
|
|
|
|
-7.2668 -7.1798 -7.1794 -7.1242 -7.1196 -3.8098 2.4434 4.6540
|
|
6.6573 10.3592 12.8039 12.8183 13.2355 15.7582 18.4715 19.5005
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5000 0.0000 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2630 -7.1762 -7.1762 -7.1332 -7.1147 -4.2040 3.5031 5.9049
|
|
5.9049 9.5709 10.8658 14.2156 14.2156 15.0537 18.7969 19.1015
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0312 0.5312-0.0312 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2681 -7.1740 -7.1738 -7.1344 -7.1140 -4.0878 3.2339 5.7717
|
|
5.7961 9.5220 10.7975 14.3311 14.4554 15.3685 18.9187 19.4260
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.5625-0.0625 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2729 -7.1722 -7.1717 -7.1352 -7.1134 -3.9565 2.9389 5.6009
|
|
5.7037 9.5556 10.7582 14.2650 14.6394 15.9032 19.0591 19.6838
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.5938-0.0938 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2773 -7.1708 -7.1697 -7.1356 -7.1130 -3.8128 2.6325 5.3985
|
|
5.6293 9.6331 10.7874 14.1536 14.7572 16.5035 19.2555 19.8222
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.6250-0.1250 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2812 -7.1699 -7.1681 -7.1357 -7.1126 -3.6601 2.3264 5.1782
|
|
5.5742 9.7059 10.9217 14.0392 14.8082 17.1093 19.5218 19.8426
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.6562-0.1562 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2845 -7.1695 -7.1667 -7.1353 -7.1125 -3.5035 2.0311 4.9541
|
|
5.5390 9.7477 11.1713 13.9374 14.8008 17.6732 19.8039 19.8443
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.6875-0.1875 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2871 -7.1694 -7.1658 -7.1346 -7.1127 -3.3492 1.7571 4.7375
|
|
5.5242 9.7655 11.5118 13.8592 14.7487 18.1039 19.7995 20.1513
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.7188-0.2188 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2890 -7.1697 -7.1652 -7.1336 -7.1130 -3.2055 1.5159 4.5368
|
|
5.5300 9.7765 11.9043 13.8194 14.6655 18.2344 19.9661 20.1695
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.2500 0.7500 ( 1809 PWs) bands (ev):
|
|
|
|
-7.2901 -7.1701 -7.1649 -7.1323 -7.1137 -3.0826 1.3199 4.3580
|
|
5.5563 9.7930 12.3020 13.8451 14.5624 18.0110 19.7166 20.2605
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.2188 0.7188 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2905 -7.1708 -7.1650 -7.1308 -7.1147 -2.9916 1.1817 4.2055
|
|
5.6026 9.8218 12.6414 13.9844 14.4469 17.5729 19.1131 20.3112
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.1875 0.6875 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2902 -7.1715 -7.1654 -7.1293 -7.1158 -2.9428 1.1118 4.0832
|
|
5.6683 9.8658 12.8649 14.2774 14.3230 17.0472 18.5026 20.2764
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.1562 0.6562 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2892 -7.1724 -7.1662 -7.1276 -7.1172 -2.9423 1.1160 3.9944
|
|
5.7522 9.9254 12.9841 14.1913 14.6738 16.5281 17.9232 20.2770
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.1250 0.6250 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2876 -7.1732 -7.1673 -7.1261 -7.1186 -2.9900 1.1919 3.9434
|
|
5.8529 9.9992 13.0513 14.0489 14.9690 16.1940 17.3930 20.3178
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.0938 0.5938 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2853 -7.1741 -7.1688 -7.1246 -7.1200 -3.0794 1.3296 3.9349
|
|
5.9685 10.0838 13.1024 13.8902 14.8039 16.3786 16.9266 20.3929
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.0625 0.5625 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2825 -7.1751 -7.1706 -7.1232 -7.1212 -3.2005 1.5134 3.9750
|
|
6.0966 10.1734 13.1536 13.7084 14.3508 16.5370 16.8936 20.4911
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.0312 0.5312 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2792 -7.1760 -7.1727 -7.1223 -7.1219 -3.3421 1.7253 4.0708
|
|
6.2338 10.2582 13.2081 13.4989 13.8600 16.2348 17.4730 20.5652
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.0000 0.5000 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2754 -7.1771 -7.1750 -7.1231 -7.1209 -3.4946 1.9477 4.2291
|
|
6.3761 10.3228 13.2128 13.2635 13.4600 16.0235 18.0013 20.3634
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5625 0.0000 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2730 -7.1714 -7.1714 -7.1358 -7.1133 -3.9794 3.0105 5.6834
|
|
5.6834 9.3913 10.6733 14.7457 14.7457 15.4150 19.0697 19.7706
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0312 0.5938-0.0312 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2777 -7.1693 -7.1691 -7.1369 -7.1127 -3.8558 2.7563 5.5560
|
|
5.5869 9.3573 10.5732 14.8286 14.9837 15.8274 19.2206 20.0659
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.6250-0.0625 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2819 -7.1676 -7.1671 -7.1376 -7.1121 -3.7196 2.4870 5.3826
|
|
5.5084 9.4052 10.5260 14.7431 15.1533 16.4241 19.4116 20.2608
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.6562-0.0938 ( 1812 PWs) bands (ev):
|
|
|
|
-7.2856 -7.1665 -7.1653 -7.1379 -7.1118 -3.5742 2.2148 5.1724
|
|
5.4492 9.4918 10.5674 14.6279 15.2481 17.0497 19.6654 20.3173
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.6875-0.1250 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2887 -7.1660 -7.1639 -7.1378 -7.1116 -3.4239 1.9503 4.9420
|
|
5.4102 9.5667 10.7311 14.5127 15.2726 17.6463 19.9750 20.2530
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.7188-0.1562 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2910 -7.1660 -7.1629 -7.1372 -7.1117 -3.2748 1.7032 4.7075
|
|
5.3918 9.6103 11.0185 14.4085 15.2400 18.1322 20.1444 20.2683
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.7500-0.1875 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2927 -7.1663 -7.1623 -7.1363 -7.1121 -3.1343 1.4835 4.4820
|
|
5.3943 9.6356 11.3994 14.3230 15.1655 18.3317 20.1658 20.2631
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7812-0.2188 0.7812 ( 1812 PWs) bands (ev):
|
|
|
|
-7.2936 -7.1670 -7.1620 -7.1350 -7.1128 -3.0118 1.3023 4.2754
|
|
5.4177 9.6603 11.8384 14.2654 15.0621 18.1207 19.7981 20.4488
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.1875 0.7500 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2938 -7.1679 -7.1621 -7.1335 -7.1137 -2.9177 1.1704 4.0950
|
|
5.4615 9.6948 12.3011 14.2509 14.9389 17.6515 19.1941 20.7803
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.1562 0.7188 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2933 -7.1690 -7.1625 -7.1319 -7.1149 -2.8617 1.0975 3.9469
|
|
5.5251 9.7441 12.7428 14.3092 14.8002 17.0832 18.5874 20.9008
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.1250 0.6875 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2922 -7.1701 -7.1633 -7.1302 -7.1162 -2.8504 1.0885 3.8365
|
|
5.6075 9.8097 13.0983 14.4848 14.6465 16.4989 18.0161 20.9436
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.0938 0.6562 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2904 -7.1713 -7.1646 -7.1284 -7.1177 -2.8849 1.1417 3.7694
|
|
5.7072 9.8907 13.3200 14.4739 14.7617 15.9879 17.4995 20.9940
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.0625 0.6250 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2882 -7.1725 -7.1661 -7.1266 -7.1191 -2.9605 1.2476 3.7523
|
|
5.8226 9.9841 13.4331 14.2761 14.8162 15.8602 17.0534 21.0622
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.0312 0.5938 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2856 -7.1737 -7.1680 -7.1249 -7.1204 -3.0686 1.3913 3.7923
|
|
5.9510 10.0842 13.4804 14.0469 14.4423 16.2830 16.6908 21.1385
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625 0.0000 0.5625 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2825 -7.1749 -7.1702 -7.1233 -7.1215 -3.1989 1.5556 3.8967
|
|
6.0894 10.1810 13.4437 13.7853 14.0392 16.4185 16.8726 21.1054
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6250 0.0000 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2823 -7.1667 -7.1667 -7.1383 -7.1120 -3.7403 2.5379 5.4861
|
|
5.4861 9.2424 10.4182 15.2829 15.2829 15.8913 19.3714 20.3938
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0312 0.6562-0.0312 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2864 -7.1648 -7.1646 -7.1393 -7.1114 -3.6123 2.3007 5.3670
|
|
5.4032 9.2248 10.3098 15.3511 15.5161 16.3535 19.5487 20.6312
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.6875-0.0625 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2899 -7.1634 -7.1628 -7.1399 -7.1110 -3.4750 2.0585 5.1945
|
|
5.3396 9.2865 10.2714 15.2604 15.6687 16.9714 19.7824 20.7196
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.7188-0.0938 ( 1807 PWs) bands (ev):
|
|
|
|
-7.2928 -7.1627 -7.1613 -7.1400 -7.1108 -3.3326 1.8221 4.9810
|
|
5.2962 9.3784 10.3391 15.1455 15.7385 17.5859 20.0744 20.6298
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.7500-0.1250 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2950 -7.1626 -7.1603 -7.1396 -7.1108 -3.1907 1.6013 4.7456
|
|
5.2736 9.4503 10.5431 15.0312 15.7359 18.1111 20.3594 20.4236
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.7812-0.1562 ( 1811 PWs) bands (ev):
|
|
|
|
-7.2964 -7.1630 -7.1596 -7.1388 -7.1111 -3.0562 1.4053 4.5062
|
|
5.2721 9.4933 10.8726 14.9267 15.6769 18.3782 20.3083 20.3586
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8125-0.1875 0.8125 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2971 -7.1638 -7.1593 -7.1376 -7.1118 -2.9377 1.2434 4.2778
|
|
5.2917 9.5262 11.2913 14.8382 15.5769 18.2096 19.9004 20.5122
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7812-0.1562 0.7812 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2971 -7.1649 -7.1594 -7.1362 -7.1127 -2.8446 1.1248 4.0719
|
|
5.3321 9.5647 11.7667 14.7723 15.4465 17.7361 19.3044 20.9220
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.1250 0.7500 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2964 -7.1662 -7.1598 -7.1345 -7.1139 -2.7860 1.0569 3.8977
|
|
5.3928 9.6170 12.2711 14.7393 15.2909 17.1471 18.7092 21.3034
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.0938 0.7188 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2951 -7.1677 -7.1607 -7.1327 -7.1152 -2.7680 1.0434 3.7637
|
|
5.4726 9.6857 12.7711 14.7576 15.1100 16.5296 18.1549 21.5188
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.0625 0.6875 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2933 -7.1692 -7.1620 -7.1307 -7.1166 -2.7924 1.0816 3.6778
|
|
5.5705 9.7709 13.2120 14.8571 14.8992 15.9354 17.6632 21.6274
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.0312 0.6562 ( 1810 PWs) bands (ev):
|
|
|
|
-7.2911 -7.1707 -7.1637 -7.1288 -7.1180 -2.8557 1.1619 3.6486
|
|
5.6845 9.8700 13.5146 14.6521 14.9824 15.5108 17.2501 21.7012
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250 0.0000 0.6250 ( 1806 PWs) bands (ev):
|
|
|
|
-7.2884 -7.1722 -7.1657 -7.1268 -7.1193 -2.9508 1.2702 3.6844
|
|
5.8123 9.9776 13.6166 14.3662 14.7163 15.7412 16.9257 21.6794
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6875 0.0000 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2904 -7.1624 -7.1624 -7.1407 -7.1107 -3.4930 2.0918 5.3157
|
|
5.3157 9.1277 10.1464 15.8213 15.8213 16.4294 19.6993 20.9128
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0312 0.7188-0.0312 ( 1811 PWs) bands (ev):
|
|
|
|
-7.2939 -7.1607 -7.1605 -7.1416 -7.1102 -3.3648 1.8753 5.2066
|
|
5.2473 9.1272 10.0446 15.8863 16.0461 16.9052 19.8981 21.0435
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.7500-0.0625 ( 1811 PWs) bands (ev):
|
|
|
|
-7.2967 -7.1597 -7.1590 -7.1419 -7.1100 -3.2318 1.6635 5.0385
|
|
5.1992 9.2013 10.0259 15.7964 16.1777 17.5091 20.1590 20.9459
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.7812-0.0938 ( 1809 PWs) bands (ev):
|
|
|
|
-7.2988 -7.1594 -7.1579 -7.1417 -7.1099 -3.0993 1.4665 4.8263
|
|
5.1719 9.2941 10.1303 15.6828 16.2193 18.0583 20.4323 20.6640
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8125-0.1250 ( 1809 PWs) bands (ev):
|
|
|
|
-7.3001 -7.1598 -7.1571 -7.1411 -7.1102 -2.9738 1.2933 4.5912
|
|
5.1659 9.3593 10.3815 15.5691 16.1856 18.3883 20.4330 20.4579
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8438-0.1562 0.8438 ( 1813 PWs) bands (ev):
|
|
|
|
-7.3006 -7.1607 -7.1568 -7.1400 -7.1107 -2.8631 1.1524 4.3534
|
|
5.1812 9.4022 10.7533 15.4637 16.0937 18.2868 20.0254 20.5364
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8125-0.1250 0.8125 ( 1823 PWs) bands (ev):
|
|
|
|
-7.3004 -7.1619 -7.1570 -7.1386 -7.1116 -2.7758 1.0512 4.1293
|
|
5.2176 9.4441 11.2063 15.3715 15.9567 17.8333 19.4478 20.9200
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7812-0.0938 0.7812 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2995 -7.1634 -7.1575 -7.1370 -7.1127 -2.7197 0.9951 3.9327
|
|
5.2745 9.4977 11.7113 15.2974 15.7805 17.2421 18.8746 21.3604
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.0625 0.7500 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2980 -7.1652 -7.1584 -7.1351 -7.1140 -2.7002 0.9853 3.7753
|
|
5.3511 9.5677 12.2443 15.2471 15.5650 16.6165 18.3497 21.7248
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.0312 0.7188 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2961 -7.1670 -7.1598 -7.1331 -7.1153 -2.7188 1.0173 3.6684
|
|
5.4462 9.6549 12.7746 15.2297 15.3057 16.0082 17.8965 21.9539
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875 0.0000 0.6875 ( 1806 PWs) bands (ev):
|
|
|
|
-7.2937 -7.1688 -7.1615 -7.1309 -7.1167 -2.7726 1.0807 3.6228
|
|
5.5581 9.7573 13.2425 14.9998 15.2335 15.5010 17.5288 22.0181
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7500 0.0000 ( 1808 PWs) bands (ev):
|
|
|
|
-7.2973 -7.1586 -7.1586 -7.1428 -7.1097 -3.2467 1.6818 5.1741
|
|
5.1741 9.0490 9.8859 16.3522 16.3522 16.9912 20.0484 21.2478
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0312 0.7812-0.0312 ( 1796 PWs) bands (ev):
|
|
|
|
-7.3001 -7.1572 -7.1570 -7.1435 -7.1093 -3.1248 1.4918 5.0767
|
|
5.1209 9.0659 9.7990 16.4187 16.5623 17.4500 20.2594 21.2068
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.8125-0.0625 ( 1800 PWs) bands (ev):
|
|
|
|
-7.3021 -7.1566 -7.1558 -7.1436 -7.1091 -3.0040 1.3164 4.9159
|
|
5.0886 9.1503 9.8077 16.3317 16.6661 17.9923 20.5056 20.8881
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.8438-0.0938 ( 1800 PWs) bands (ev):
|
|
|
|
-7.3033 -7.1569 -7.1551 -7.1431 -7.1093 -2.8906 1.1650 4.7093
|
|
5.0777 9.2377 9.9578 16.2183 16.6712 18.3731 20.5605 20.5651
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8750-0.1250 0.8750 ( 1806 PWs) bands (ev):
|
|
|
|
-7.3038 -7.1577 -7.1548 -7.1421 -7.1097 -2.7920 1.0456 4.4803
|
|
5.0882 9.2945 10.2591 16.1016 16.5947 18.3570 20.1759 20.5460
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8438-0.0938 0.8438 ( 1814 PWs) bands (ev):
|
|
|
|
-7.3034 -7.1591 -7.1549 -7.1408 -7.1105 -2.7154 0.9645 4.2507
|
|
5.1200 9.3399 10.6702 15.9877 16.4517 17.9505 19.6301 20.8613
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8125-0.0625 0.8125 ( 1819 PWs) bands (ev):
|
|
|
|
-7.3024 -7.1607 -7.1555 -7.1392 -7.1115 -2.6675 0.9250 4.0393
|
|
5.1727 9.3936 11.1529 15.8761 16.2500 17.3814 19.0928 21.2741
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7812-0.0312 0.7812 ( 1821 PWs) bands (ev):
|
|
|
|
-7.3007 -7.1627 -7.1565 -7.1374 -7.1127 -2.6522 0.9260 3.8621
|
|
5.2455 9.4633 11.6818 15.7546 15.9909 16.7891 18.6125 21.6404
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500 0.0000 0.7500 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2986 -7.1648 -7.1579 -7.1353 -7.1141 -2.6703 0.9607 3.7338
|
|
5.3372 9.5509 12.2342 15.5709 15.6743 16.2834 18.2112 21.8914
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8125 0.0000 ( 1804 PWs) bands (ev):
|
|
|
|
-7.3029 -7.1554 -7.1554 -7.1446 -7.1088 -3.0154 1.3224 5.0626
|
|
5.0626 9.0076 9.6523 16.8598 16.8598 17.5443 20.4084 21.3396
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0312 0.8438-0.0312 ( 1800 PWs) bands (ev):
|
|
|
|
-7.3048 -7.1545 -7.1542 -7.1450 -7.1085 -2.9088 1.1677 4.9783
|
|
5.0251 9.0413 9.5857 16.9255 17.0433 17.9493 20.6073 21.1022
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.8750-0.0625 ( 1800 PWs) bands (ev):
|
|
|
|
-7.3060 -7.1544 -7.1535 -7.1448 -7.1085 -2.8111 1.0378 4.8278
|
|
5.0089 9.1312 9.6292 16.8391 17.1046 18.3465 20.6907 20.7047
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9062-0.0938 0.9062 ( 1802 PWs) bands (ev):
|
|
|
|
-7.3064 -7.1552 -7.1532 -7.1440 -7.1089 -2.7288 0.9407 4.6310
|
|
5.0144 9.2058 9.8337 16.7172 17.0538 18.4230 20.3569 20.5603
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8750-0.0625 0.8750 ( 1807 PWs) bands (ev):
|
|
|
|
-7.3060 -7.1565 -7.1533 -7.1427 -7.1095 -2.6681 0.8819 4.4135
|
|
5.0413 9.2558 10.1832 16.5770 16.9069 18.0987 19.8590 20.7673
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8438-0.0312 0.8438 ( 1808 PWs) bands (ev):
|
|
|
|
-7.3048 -7.1583 -7.1539 -7.1412 -7.1104 -2.6342 0.8630 4.1992
|
|
5.0893 9.3084 10.6277 16.4060 16.6754 17.5956 19.3747 21.1080
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8125 0.0000 0.8125 ( 1816 PWs) bands (ev):
|
|
|
|
-7.3030 -7.1604 -7.1550 -7.1394 -7.1115 -2.6291 0.8807 4.0091
|
|
5.1577 9.3765 11.1347 16.1547 16.3667 17.1148 18.9537 21.4200
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8750 0.0000 ( 1796 PWs) bands (ev):
|
|
|
|
-7.3068 -7.1530 -7.1530 -7.1459 -7.1081 -2.8190 1.0342 4.9823
|
|
4.9823 9.0029 9.4556 17.3129 17.3129 18.0482 20.7567 21.2228
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0312 0.9062-0.0312 ( 1798 PWs) bands (ev):
|
|
|
|
-7.3080 -7.1526 -7.1523 -7.1460 -7.1080 -2.7403 0.9267 4.9123
|
|
4.9608 9.0511 9.4141 17.3635 17.4455 18.3423 20.8523 20.8778
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9375-0.0625 0.9375 ( 1801 PWs) bands (ev):
|
|
|
|
-7.3084 -7.1532 -7.1520 -7.1454 -7.1082 -2.6785 0.8535 4.7747
|
|
4.9609 9.1357 9.5043 17.2591 17.4340 18.4882 20.5749 20.6070
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9062-0.0312 0.9062 ( 1802 PWs) bands (ev):
|
|
|
|
-7.3080 -7.1544 -7.1522 -7.1443 -7.1087 -2.6387 0.8193 4.5918
|
|
4.9826 9.1924 9.7681 17.0828 17.2897 18.2887 20.1415 20.6617
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8750 0.0000 0.8750 ( 1808 PWs) bands (ev):
|
|
|
|
-7.3067 -7.1561 -7.1528 -7.1429 -7.1094 -2.6238 0.8242 4.3912
|
|
5.0256 9.2429 10.1575 16.8141 17.0301 17.9182 19.7270 20.8843
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9375 0.0000 ( 1788 PWs) bands (ev):
|
|
|
|
-7.3093 -7.1516 -7.1516 -7.1467 -7.1077 -2.6837 0.8435 4.9338
|
|
4.9338 9.0295 9.3064 17.6506 17.6506 18.4334 21.0305 21.2313
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9688-0.0312 0.9688 ( 1784 PWs) bands (ev):
|
|
|
|
-7.3097 -7.1517 -7.1513 -7.1465 -7.1077 -2.6461 0.7961 4.8791
|
|
4.9285 9.0814 9.3021 17.6432 17.6902 18.5527 20.7308 20.8322
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9375 0.0000 0.9375 ( 1798 PWs) bands (ev):
|
|
|
|
-7.3092 -7.1527 -7.1515 -7.1456 -7.1080 -2.6308 0.7885 4.7569
|
|
4.9448 9.1431 9.4565 17.4448 17.5625 18.4869 20.4755 20.6061
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000-1.0000 0.0000 ( 1772 PWs) bands (ev):
|
|
|
|
-7.3101 -7.1511 -7.1511 -7.1470 -7.1075 -2.6348 0.7761 4.9176
|
|
4.9176 9.0555 9.2392 17.7812 17.7812 18.5865 20.9349 21.0801
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.1250 0.0000 ( 1835 PWs) bands (ev):
|
|
|
|
-7.2067 -7.1986 -7.1981 -7.1224 -7.1213 -5.0515 6.5023 7.3469
|
|
7.4885 9.0380 11.1837 11.5454 11.6750 15.7100 16.8961 17.6196
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.1562-0.0312 ( 1840 PWs) bands (ev):
|
|
|
|
-7.2109 -7.1977 -7.1967 -7.1227 -7.1211 -4.9947 6.0441 7.2030
|
|
7.4491 9.2800 11.1973 11.6516 11.9016 15.9950 16.6185 17.4390
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.1875-0.0625 ( 1843 PWs) bands (ev):
|
|
|
|
-7.2163 -7.1963 -7.1950 -7.1230 -7.1209 -4.9162 5.5334 7.0628
|
|
7.3818 9.4346 11.2852 11.8017 12.1604 16.2680 16.4578 17.2493
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.2188-0.0938 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2226 -7.1947 -7.1932 -7.1232 -7.1207 -4.8169 5.0032 6.9260
|
|
7.2918 9.4906 11.4360 11.9802 12.4502 16.1681 16.7086 17.1273
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.2500-0.1250 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2295 -7.1929 -7.1912 -7.1233 -7.1204 -4.6983 4.4704 6.7948
|
|
7.1865 9.4722 11.6151 12.1603 12.7744 16.0738 16.8338 17.1743
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.2812-0.1562 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2368 -7.1910 -7.1892 -7.1232 -7.1201 -4.5620 3.9459 6.6719
|
|
7.0732 9.4107 11.7869 12.3129 13.1365 16.0636 16.8287 17.2694
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.3125-0.1875 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2442 -7.1890 -7.1873 -7.1230 -7.1197 -4.4104 3.4376 6.5597
|
|
6.9579 9.3291 11.9286 12.4196 13.5341 16.1461 16.8150 17.3459
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.3438-0.2188 ( 1841 PWs) bands (ev):
|
|
|
|
-7.2514 -7.1872 -7.1856 -7.1226 -7.1192 -4.2466 2.9526 6.4600
|
|
6.8457 9.2419 12.0304 12.4767 13.9576 16.3109 16.7936 17.5016
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.3750-0.2500 ( 1840 PWs) bands (ev):
|
|
|
|
-7.2581 -7.1854 -7.1840 -7.1220 -7.1187 -4.0749 2.4982 6.3738
|
|
6.7403 9.1576 12.0937 12.4918 14.3905 16.4907 16.8420 17.7684
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3438 0.4062-0.2812 ( 1838 PWs) bands (ev):
|
|
|
|
-7.2641 -7.1840 -7.1828 -7.1212 -7.1182 -3.9011 2.0821 6.3019
|
|
6.6451 9.0812 12.1263 12.4772 14.8050 16.5756 17.1054 18.1276
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.4375-0.3125 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2692 -7.1828 -7.1817 -7.1204 -7.1178 -3.7330 1.7140 6.2444
|
|
6.5627 9.0160 12.1387 12.4459 15.1536 16.6813 17.5111 18.5535
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4062 0.4688-0.3438 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2734 -7.1818 -7.1810 -7.1196 -7.1174 -3.5809 1.4052 6.2011
|
|
6.4953 8.9638 12.1401 12.4091 15.3840 16.9165 17.9839 19.0150
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4375 0.5000-0.3750 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2764 -7.1811 -7.1804 -7.1188 -7.1172 -3.4574 1.1691 6.1713
|
|
6.4452 8.9259 12.1376 12.3757 15.4962 17.2762 18.4869 19.4347
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.4688 0.5938 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2783 -7.1807 -7.1802 -7.1182 -7.1172 -3.3759 1.0199 6.1540
|
|
6.4141 8.9028 12.1351 12.3526 15.5385 17.6585 18.9491 19.5250
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.4375 0.5625 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2789 -7.1806 -7.1801 -7.1179 -7.1173 -3.3473 0.9687 6.1484
|
|
6.4036 8.8951 12.1341 12.3443 15.5487 17.8514 19.1227 19.4816
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.1875 0.0000 ( 1841 PWs) bands (ev):
|
|
|
|
-7.2132 -7.1965 -7.1959 -7.1233 -7.1207 -4.9757 5.9976 7.1331
|
|
7.2833 9.4952 10.9748 11.8572 11.9839 16.0458 16.3508 17.7136
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.2188-0.0312 ( 1838 PWs) bands (ev):
|
|
|
|
-7.2182 -7.1953 -7.1942 -7.1238 -7.1203 -4.9047 5.5657 6.9655
|
|
7.2304 9.6781 10.9790 12.0073 12.2449 16.0021 16.4752 17.5680
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.2500-0.0625 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2240 -7.1938 -7.1924 -7.1241 -7.1200 -4.8127 5.0836 6.8093
|
|
7.1535 9.7727 11.0688 12.1853 12.5192 15.8440 16.8138 17.4273
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.2812-0.0938 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2305 -7.1921 -7.1904 -7.1244 -7.1197 -4.7009 4.5806 6.6634
|
|
7.0562 9.7832 11.2298 12.3678 12.7970 15.7589 17.0844 17.3836
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.3125-0.1250 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2374 -7.1904 -7.1884 -7.1245 -7.1193 -4.5709 4.0741 6.5284
|
|
6.9459 9.7384 11.4249 12.5281 13.0748 15.7741 17.1456 17.4962
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.3438-0.1562 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2444 -7.1885 -7.1864 -7.1244 -7.1189 -4.4248 3.5757 6.4049
|
|
6.8304 9.6654 11.6156 12.6451 13.3603 15.8973 17.1475 17.6020
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.3750-0.1875 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2513 -7.1868 -7.1846 -7.1242 -7.1184 -4.2655 3.0945 6.2936
|
|
6.7166 9.5818 11.7727 12.7110 13.6686 16.1178 17.1321 17.7419
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.4062-0.2188 ( 1838 PWs) bands (ev):
|
|
|
|
-7.2578 -7.1852 -7.1830 -7.1237 -7.1180 -4.0967 2.6387 6.1948
|
|
6.6103 9.4977 11.8828 12.7307 14.0109 16.3985 17.1187 17.9828
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.4375-0.2500 ( 1839 PWs) bands (ev):
|
|
|
|
-7.2638 -7.1837 -7.1817 -7.1230 -7.1175 -3.9238 2.2164 6.1081
|
|
6.5162 9.4193 11.9486 12.7161 14.3845 16.6425 17.2173 18.3202
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3438 0.4688-0.2812 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2689 -7.1825 -7.1806 -7.1222 -7.1172 -3.7538 1.8372 6.0330
|
|
6.4381 9.3503 11.9825 12.6800 14.7696 16.7564 17.5388 18.7284
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.5000-0.3125 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2732 -7.1815 -7.1798 -7.1212 -7.1169 -3.5961 1.5119 5.9688
|
|
6.3791 9.2931 11.9985 12.6336 15.1284 16.8523 17.9900 19.1727
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4062 0.5312-0.3438 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2765 -7.1808 -7.1792 -7.1203 -7.1168 -3.4625 1.2536 5.9153
|
|
6.3409 9.2492 12.0081 12.5854 15.4097 17.0367 18.4711 19.5555
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.4375 0.6250 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2786 -7.1803 -7.1789 -7.1195 -7.1169 -3.3663 1.0765 5.8729
|
|
6.3245 9.2196 12.0186 12.5422 15.5819 17.3293 18.8422 19.5595
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.4062 0.5938 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2796 -7.1801 -7.1788 -7.1189 -7.1172 -3.3197 0.9930 5.8426
|
|
6.3294 9.2049 12.0340 12.5084 15.6589 17.6230 18.8074 19.4654
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.3750 0.5625 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2793 -7.1801 -7.1790 -7.1187 -7.1175 -3.3293 1.0102 5.8256
|
|
6.3548 9.2052 12.0552 12.4871 15.6644 17.6287 18.7447 19.1917
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.3438 0.5312 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2779 -7.1803 -7.1793 -7.1191 -7.1175 -3.3938 1.1266 5.8232
|
|
6.3991 9.2205 12.0802 12.4797 15.5963 17.3434 18.4085 19.3878
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.3125 0.5000 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2753 -7.1808 -7.1798 -7.1199 -7.1175 -3.5040 1.3328 5.8366
|
|
6.4609 9.2505 12.1043 12.4862 15.4261 17.0575 17.9104 19.5838
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.2812 0.4688 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2716 -7.1816 -7.1805 -7.1208 -7.1177 -3.6472 1.6152 5.8667
|
|
6.5383 9.2946 12.1207 12.5039 15.1369 16.8786 17.4377 19.2330
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750-0.2500 0.4375 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2670 -7.1828 -7.1814 -7.1217 -7.1179 -3.8102 1.9599 5.9142
|
|
6.6292 9.3515 12.1203 12.5267 14.7616 16.7581 17.0648 18.7897
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3438-0.2188 0.4062 ( 1837 PWs) bands (ev):
|
|
|
|
-7.2615 -7.1842 -7.1826 -7.1225 -7.1183 -3.9821 2.3544 5.9798
|
|
6.7315 9.4194 12.0932 12.5427 14.3542 16.5165 16.9401 18.3846
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3125-0.1875 0.3750 ( 1837 PWs) bands (ev):
|
|
|
|
-7.2552 -7.1859 -7.1839 -7.1232 -7.1187 -4.1543 2.7880 6.0637
|
|
6.8422 9.4952 12.0293 12.5341 13.9574 16.2432 16.9399 18.0585
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2812-0.1562 0.3438 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2485 -7.1878 -7.1855 -7.1236 -7.1191 -4.3203 3.2517 6.1661
|
|
6.9580 9.5738 11.9214 12.4792 13.5997 16.0390 16.9355 17.8329
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500-0.1250 0.3125 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2414 -7.1898 -7.1873 -7.1238 -7.1195 -4.4756 3.7366 6.2874
|
|
7.0744 9.6467 11.7693 12.3634 13.2938 15.9236 16.9079 17.6741
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2188-0.0938 0.2812 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2344 -7.1918 -7.1891 -7.1239 -7.1199 -4.6165 4.2336 6.4280
|
|
7.1862 9.6996 11.5865 12.1977 13.0256 15.9005 16.8882 17.4796
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1875-0.0625 0.2500 ( 1834 PWs) bands (ev):
|
|
|
|
-7.2275 -7.1936 -7.1911 -7.1237 -7.1202 -4.7406 4.7315 6.5886
|
|
7.2868 9.7095 11.4031 12.0161 12.7634 15.9654 16.8703 17.2269
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1562-0.0312 0.2188 ( 1838 PWs) bands (ev):
|
|
|
|
-7.2212 -7.1953 -7.1930 -7.1235 -7.1205 -4.8459 5.2150 6.7711
|
|
7.3686 9.6474 11.2607 11.8523 12.4865 16.1063 16.6614 17.1723
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 0.0000 0.1875 ( 1840 PWs) bands (ev):
|
|
|
|
-7.2155 -7.1967 -7.1949 -7.1231 -7.1208 -4.9310 5.6623 6.9775
|
|
7.4241 9.4971 11.1913 11.7275 12.1947 16.2313 16.4130 17.2995
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.2500 0.0000 ( 1835 PWs) bands (ev):
|
|
|
|
-7.2216 -7.1936 -7.1931 -7.1246 -7.1198 -4.8710 5.4823 6.8814
|
|
7.0260 9.9235 10.7580 12.2456 12.3578 15.7023 16.6266 17.8518
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.2812-0.0312 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2271 -7.1921 -7.1911 -7.1251 -7.1193 -4.7865 5.0779 6.7011
|
|
6.9580 10.0476 10.7764 12.4251 12.6203 15.5350 16.9627 17.7522
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.3125-0.0625 ( 1830 PWs) bands (ev):
|
|
|
|
-7.2331 -7.1905 -7.1891 -7.1256 -7.1189 -4.6819 4.6276 6.5355
|
|
6.8697 10.0892 10.8871 12.6138 12.8613 15.4679 17.3004 17.6718
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.3438-0.0938 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2395 -7.1888 -7.1870 -7.1260 -7.1185 -4.5586 4.1565 6.3830
|
|
6.7653 10.0656 11.0688 12.7865 13.0623 15.5251 17.4886 17.7274
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.3750-0.1250 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2461 -7.1871 -7.1850 -7.1261 -7.1180 -4.4186 3.6814 6.2427
|
|
6.6530 10.0057 11.2827 12.9189 13.2310 15.7102 17.5235 17.8711
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.4062-0.1562 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2526 -7.1855 -7.1832 -7.1260 -7.1176 -4.2644 3.2144 6.1136
|
|
6.5416 9.9297 11.4908 12.9966 13.4039 16.0005 17.5345 18.0061
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.4375-0.1875 ( 1835 PWs) bands (ev):
|
|
|
|
-7.2588 -7.1841 -7.1815 -7.1256 -7.1171 -4.0996 2.7657 5.9949
|
|
6.4389 9.8495 11.6615 13.0235 13.6209 16.3557 17.5194 18.2195
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.4688-0.2188 ( 1839 PWs) bands (ev):
|
|
|
|
-7.2645 -7.1827 -7.1801 -7.1251 -7.1168 -3.9288 2.3444 5.8859
|
|
6.3508 9.7722 11.7785 13.0124 13.9040 16.7113 17.5371 18.5327
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.5000-0.2500 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2695 -7.1816 -7.1789 -7.1243 -7.1165 -3.7584 1.9602 5.7862
|
|
6.2815 9.7023 11.8465 12.9758 14.2518 16.9464 17.7219 18.9217
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3438 0.5312-0.2812 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2737 -7.1807 -7.1780 -7.1233 -7.1163 -3.5970 1.6239 5.6963
|
|
6.2333 9.6427 11.8824 12.9238 14.6424 17.0298 18.1106 19.3476
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.5625-0.3125 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2770 -7.1800 -7.1774 -7.1223 -7.1163 -3.4555 1.3484 5.6173
|
|
6.2071 9.5955 11.9030 12.8654 15.0394 17.0846 18.5652 19.6888
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.4062 0.6562 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2793 -7.1795 -7.1771 -7.1213 -7.1165 -3.3467 1.1475 5.5508
|
|
6.2027 9.5618 11.9208 12.8074 15.3917 17.1904 18.8741 19.6183
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.3750 0.6250 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2805 -7.1793 -7.1770 -7.1204 -7.1170 -3.2835 1.0347 5.4983
|
|
6.2193 9.5424 11.9431 12.7547 15.6387 17.3680 18.7098 19.4672
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.3438 0.5938 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2806 -7.1792 -7.1772 -7.1198 -7.1175 -3.2745 1.0192 5.4615
|
|
6.2557 9.5376 11.9733 12.7105 15.7388 17.5024 18.4951 19.0436
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.3125 0.5625 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2795 -7.1793 -7.1776 -7.1197 -7.1179 -3.3211 1.1023 5.4418
|
|
6.3106 9.5474 12.0115 12.6760 15.6782 17.4004 18.3264 18.8933
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.2812 0.5312 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2774 -7.1796 -7.1782 -7.1202 -7.1180 -3.4166 1.2769 5.4405
|
|
6.3824 9.5715 12.0546 12.6516 15.4572 17.2257 17.8621 19.3089
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.2500 0.5000 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2742 -7.1802 -7.1790 -7.1212 -7.1180 -3.5490 1.5303 5.4587
|
|
6.4692 9.6089 12.0956 12.6364 15.1102 17.0736 17.4445 19.7277
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.2188 0.4688 ( 1830 PWs) bands (ev):
|
|
|
|
-7.2701 -7.1812 -7.1800 -7.1221 -7.1180 -3.7053 1.8482 5.4976
|
|
6.5690 9.6585 12.1222 12.6290 14.6997 16.7919 17.2730 19.4898
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750-0.1875 0.4375 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2651 -7.1826 -7.1810 -7.1230 -7.1182 -3.8738 2.2170 5.5583
|
|
6.6792 9.7180 12.1174 12.6250 14.2804 16.4457 17.2635 19.0517
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3438-0.1562 0.4062 ( 1838 PWs) bands (ev):
|
|
|
|
-7.2594 -7.1843 -7.1822 -7.1237 -7.1185 -4.0452 2.6246 5.6422
|
|
6.7966 9.7838 12.0647 12.6106 13.8944 16.1519 17.2736 18.6539
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3125-0.1250 0.3750 ( 1841 PWs) bands (ev):
|
|
|
|
-7.2531 -7.1862 -7.1837 -7.1241 -7.1188 -4.2124 3.0601 5.7510
|
|
6.9175 9.8503 11.9551 12.5577 13.5783 15.9383 17.2452 18.3345
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2812-0.0938 0.3438 ( 1834 PWs) bands (ev):
|
|
|
|
-7.2465 -7.1882 -7.1853 -7.1244 -7.1191 -4.3704 3.5125 5.8869
|
|
7.0370 9.9074 11.7934 12.4409 13.3509 15.8123 17.1595 18.0771
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500-0.0625 0.3125 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2398 -7.1902 -7.1870 -7.1244 -7.1195 -4.5152 3.9698 6.0534
|
|
7.1492 9.9383 11.6027 12.2744 13.1798 15.7723 17.0556 17.8020
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2188-0.0312 0.2812 ( 1835 PWs) bands (ev):
|
|
|
|
-7.2332 -7.1921 -7.1890 -7.1242 -7.1198 -4.6440 4.4175 6.2548
|
|
7.2469 9.9178 11.4246 12.1009 13.0013 15.8130 16.9870 17.4692
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1875 0.0000 0.2500 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2269 -7.1939 -7.1910 -7.1239 -7.1202 -4.7548 4.8385 6.4948
|
|
7.3225 9.8209 11.3038 11.9540 12.7726 15.9281 16.9170 17.1827
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.3125 0.0000 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2313 -7.1900 -7.1895 -7.1262 -7.1187 -4.7385 4.9665 6.6140
|
|
6.7478 10.1689 10.6642 12.6873 12.7644 15.2703 17.1791 18.0283
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.3438-0.0312 ( 1830 PWs) bands (ev):
|
|
|
|
-7.2370 -7.1882 -7.1874 -7.1269 -7.1182 -4.6413 4.5890 6.4284
|
|
6.6674 10.2037 10.7372 12.8844 12.9839 15.2156 17.5236 17.9813
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.3750-0.0625 ( 1830 PWs) bands (ev):
|
|
|
|
-7.2431 -7.1866 -7.1853 -7.1275 -7.1177 -4.5252 4.1716 6.2563
|
|
6.5705 10.2173 10.8576 13.0678 13.1316 15.3144 17.8188 17.9800
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.4062-0.0938 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2491 -7.1849 -7.1832 -7.1278 -7.1172 -4.3918 3.7353 6.0955
|
|
6.4634 10.2006 11.0329 13.1812 13.2419 15.5635 17.9091 18.1446
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.4375-0.1250 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2552 -7.1835 -7.1813 -7.1280 -7.1167 -4.2435 3.2957 5.9442
|
|
6.3563 10.1565 11.2481 13.2170 13.3514 15.9221 17.9601 18.2910
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.4688-0.1562 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2610 -7.1821 -7.1795 -7.1278 -7.1163 -4.0834 2.8649 5.8010
|
|
6.2584 10.0968 11.4681 13.2552 13.4339 16.3417 17.9794 18.4717
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.5000-0.1875 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2663 -7.1810 -7.1780 -7.1273 -7.1159 -3.9158 2.4536 5.6655
|
|
6.1766 10.0325 11.6535 13.2988 13.5417 16.7728 17.9753 18.7557
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.5312-0.2188 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2711 -7.1800 -7.1768 -7.1266 -7.1157 -3.7465 2.0724 5.5387
|
|
6.1146 9.9709 11.7799 13.2995 13.7604 17.1335 18.0492 19.1235
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.5625-0.2500 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2751 -7.1793 -7.1758 -7.1257 -7.1156 -3.5832 1.7323 5.4221
|
|
6.0744 9.9170 11.8509 13.2601 14.0919 17.3117 18.3215 19.5305
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3438 0.5938-0.2812 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2783 -7.1787 -7.1752 -7.1246 -7.1157 -3.4360 1.4457 5.3178
|
|
6.0563 9.8739 11.8875 13.2013 14.4956 17.3445 18.7295 19.8306
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.3750 0.6875 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2806 -7.1783 -7.1748 -7.1235 -7.1160 -3.3170 1.2266 5.2278
|
|
6.0599 9.8434 11.9099 13.1352 14.9277 17.3309 19.0027 19.6972
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.3438 0.6562 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2819 -7.1781 -7.1747 -7.1225 -7.1166 -3.2391 1.0889 5.1541
|
|
6.0843 9.8265 11.9316 13.0692 15.3331 17.3082 18.8014 19.4834
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.3125 0.6250 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2822 -7.1781 -7.1749 -7.1215 -7.1173 -3.2125 1.0433 5.0983
|
|
6.1284 9.8238 11.9599 13.0074 15.6222 17.2856 18.5248 19.0113
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.2812 0.5938 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2814 -7.1782 -7.1753 -7.1209 -7.1181 -3.2410 1.0938 5.0621
|
|
6.1910 9.8350 11.9979 12.9517 15.6744 17.2781 18.2799 18.6983
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.2500 0.5625 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2796 -7.1784 -7.1760 -7.1208 -7.1186 -3.3205 1.2359 5.0469
|
|
6.2705 9.8595 12.0451 12.9020 15.4585 17.2767 17.8538 18.8961
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.2188 0.5312 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2769 -7.1789 -7.1770 -7.1214 -7.1186 -3.4406 1.4581 5.0543
|
|
6.3651 9.8962 12.0971 12.8571 15.0794 17.1107 17.6002 19.3324
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.1875 0.5000 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2732 -7.1796 -7.1781 -7.1224 -7.1185 -3.5884 1.7458 5.0860
|
|
6.4724 9.9432 12.1435 12.8157 14.6403 16.7385 17.6050 19.8023
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.1562 0.4688 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2688 -7.1807 -7.1794 -7.1233 -7.1185 -3.7519 2.0845 5.1442
|
|
6.5898 9.9977 12.1651 12.7781 14.2019 16.3730 17.6617 19.6871
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750-0.1250 0.4375 ( 1834 PWs) bands (ev):
|
|
|
|
-7.2636 -7.1823 -7.1806 -7.1240 -7.1185 -3.9210 2.4603 5.2313
|
|
6.7138 10.0551 12.1346 12.7425 13.8071 16.0741 17.7019 19.2335
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3438-0.0938 0.4062 ( 1837 PWs) bands (ev):
|
|
|
|
-7.2579 -7.1842 -7.1819 -7.1245 -7.1187 -4.0883 2.8600 5.3511
|
|
6.8401 10.1076 12.0320 12.6875 13.5015 15.8594 17.6793 18.8115
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3125-0.0625 0.3750 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2518 -7.1863 -7.1834 -7.1248 -7.1189 -4.2478 3.2702 5.5084
|
|
6.9636 10.1422 11.8661 12.5723 13.3225 15.7330 17.5537 18.4536
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2812-0.0312 0.3438 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2455 -7.1884 -7.1851 -7.1248 -7.1192 -4.3956 3.6763 5.7088
|
|
7.0777 10.1377 11.6764 12.4047 13.2349 15.6898 17.3463 18.1268
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.0000 0.3125 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2393 -7.1904 -7.1870 -7.1246 -7.1195 -4.5284 4.0631 5.9575
|
|
7.1748 10.0674 11.5164 12.2359 13.1498 15.7195 17.1381 17.7921
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.3750 0.0000 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2418 -7.1858 -7.1854 -7.1282 -7.1175 -4.5797 4.4549 6.3459
|
|
6.4671 10.0652 10.8212 13.1620 13.1791 15.0229 17.7886 18.2400
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.4062-0.0312 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2475 -7.1839 -7.1832 -7.1290 -7.1169 -4.4710 4.1033 6.1599
|
|
6.3785 10.0720 10.8859 13.2935 13.3806 15.1424 18.1226 18.2518
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.4375-0.0625 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2532 -7.1823 -7.1811 -7.1296 -7.1163 -4.3446 3.7191 5.9816
|
|
6.2779 10.1112 10.9664 13.3092 13.5589 15.4394 18.2647 18.4317
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.4688-0.0938 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2589 -7.1808 -7.1790 -7.1300 -7.1158 -4.2027 3.3196 5.8085
|
|
6.1753 10.1415 11.1030 13.2662 13.6902 15.8542 18.3501 18.6152
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.5000-0.1250 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2642 -7.1795 -7.1772 -7.1300 -7.1154 -4.0482 2.9187 5.6397
|
|
6.0815 10.1405 11.3048 13.2205 13.7678 16.3276 18.4466 18.7498
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.5312-0.1562 ( 1830 PWs) bands (ev):
|
|
|
|
-7.2692 -7.1785 -7.1756 -7.1297 -7.1151 -3.8849 2.5284 5.4763
|
|
6.0039 10.1142 11.5405 13.2167 13.7967 16.8153 18.4742 18.9844
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.5625-0.1875 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2735 -7.1777 -7.1743 -7.1291 -7.1148 -3.7181 2.1599 5.3207
|
|
5.9465 10.0770 11.7584 13.2931 13.7934 17.2633 18.4948 19.3258
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.5938-0.2188 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2773 -7.1771 -7.1733 -7.1283 -7.1148 -3.5547 1.8245 5.1760
|
|
5.9109 10.0400 11.9135 13.4498 13.8054 17.5684 18.6406 19.7134
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.6250-0.2500 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2803 -7.1768 -7.1726 -7.1272 -7.1150 -3.4039 1.5349 5.0452
|
|
5.8974 10.0102 11.9986 13.5361 13.9914 17.6535 18.9673 19.9825
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.3438 0.7188 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2824 -7.1766 -7.1722 -7.1260 -7.1154 -3.2772 1.3047 4.9308
|
|
5.9055 9.9916 12.0391 13.5010 14.3742 17.5823 19.2318 19.7950
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.3125 0.6875 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2837 -7.1765 -7.1721 -7.1248 -7.1161 -3.1870 1.1479 4.8349
|
|
5.9345 9.9860 12.0613 13.4345 14.8226 17.4063 19.0419 19.5296
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.2812 0.6562 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2841 -7.1766 -7.1723 -7.1236 -7.1170 -3.1444 1.0765 4.7595
|
|
5.9835 9.9943 12.0818 13.3617 15.2503 17.1592 18.7268 19.1055
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.2500 0.6250 ( 1812 PWs) bands (ev):
|
|
|
|
-7.2835 -7.1768 -7.1727 -7.1226 -7.1179 -3.1554 1.0968 4.7064
|
|
6.0512 10.0162 12.1093 13.2892 15.5130 16.9747 18.2820 18.9184
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.2188 0.5938 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2820 -7.1771 -7.1735 -7.1219 -7.1189 -3.2184 1.2065 4.6774
|
|
6.1361 10.0507 12.1471 13.2179 15.4165 17.0397 17.7986 18.9634
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.1875 0.5625 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2796 -7.1776 -7.1745 -7.1219 -7.1194 -3.3247 1.3958 4.6747
|
|
6.2363 10.0960 12.1940 13.1462 15.0489 17.0510 17.5815 19.1698
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.1562 0.5312 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2764 -7.1782 -7.1758 -7.1226 -7.1193 -3.4623 1.6502 4.7008
|
|
6.3494 10.1492 12.2435 13.0720 14.5957 16.6953 17.7778 19.5107
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.1250 0.5000 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2724 -7.1790 -7.1773 -7.1234 -7.1190 -3.6190 1.9541 4.7589
|
|
6.4727 10.2061 12.2791 12.9962 14.1411 16.3292 17.9793 19.8503
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.0938 0.4688 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2678 -7.1803 -7.1789 -7.1242 -7.1188 -3.7844 2.2918 4.8533
|
|
6.6024 10.2602 12.2678 12.9286 13.7300 16.0321 18.1099 19.6788
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750-0.0625 0.4375 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2627 -7.1821 -7.1803 -7.1247 -7.1188 -3.9501 2.6477 4.9896
|
|
6.7340 10.3005 12.1732 12.8692 13.4110 15.8216 18.1396 19.2112
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3438-0.0312 0.4062 ( 1839 PWs) bands (ev):
|
|
|
|
-7.2572 -7.1842 -7.1817 -7.1250 -7.1188 -4.1101 3.0064 5.1743
|
|
6.8619 10.3096 12.0034 12.7570 13.2529 15.7005 18.0096 18.7814
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3125 0.0000 0.3750 ( 1837 PWs) bands (ev):
|
|
|
|
-7.2514 -7.1863 -7.1833 -7.1250 -7.1190 -4.2597 3.3531 5.4134
|
|
6.9791 10.2627 11.8178 12.5780 13.2333 15.6612 17.7047 18.4421
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.4375 0.0000 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2525 -7.1813 -7.1810 -7.1305 -7.1161 -4.3966 3.9506 6.0875
|
|
6.1953 9.8611 10.9341 13.5715 13.6735 15.0294 18.4313 18.4852
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.4688-0.0312 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2580 -7.1794 -7.1787 -7.1314 -7.1155 -4.2776 3.6238 5.9040
|
|
6.1028 9.8766 10.9504 13.5923 13.8887 15.3362 18.5481 18.7520
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.5000-0.0625 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2633 -7.1778 -7.1766 -7.1319 -7.1150 -4.1427 3.2726 5.7186
|
|
6.0048 9.9374 10.9965 13.5240 14.0544 15.7844 18.6514 18.9923
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.5312-0.0938 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2683 -7.1765 -7.1747 -7.1322 -7.1145 -3.9944 2.9112 5.5298
|
|
5.9136 9.9972 11.1152 13.4291 14.1605 16.2981 18.8141 19.1181
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.5625-0.1250 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2728 -7.1755 -7.1730 -7.1321 -7.1142 -3.8364 2.5520 5.3405
|
|
5.8381 10.0261 11.3232 13.3438 14.2077 16.8297 18.9683 19.2364
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.5938-0.1562 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2769 -7.1749 -7.1715 -7.1317 -7.1140 -3.6733 2.2063 5.1560
|
|
5.7827 10.0263 11.5963 13.2951 14.2057 17.3363 19.0021 19.5227
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.6250-0.1875 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2803 -7.1745 -7.1705 -7.1309 -7.1140 -3.5116 1.8856 4.9816
|
|
5.7490 10.0136 11.8819 13.3168 14.1699 17.7397 19.0601 19.8873
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.6562-0.2188 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2830 -7.1743 -7.1697 -7.1299 -7.1142 -3.3595 1.6022 4.8221
|
|
5.7374 10.0011 12.1142 13.4498 14.1211 17.9118 19.2814 20.1451
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.3125 0.7500 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2849 -7.1743 -7.1693 -7.1287 -7.1147 -3.2276 1.3695 4.6808
|
|
5.7475 9.9969 12.2529 13.6786 14.1120 17.8181 19.5575 19.9179
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.2812 0.7188 ( 1812 PWs) bands (ev):
|
|
|
|
-7.2860 -7.1745 -7.1692 -7.1274 -7.1155 -3.1278 1.2014 4.5605
|
|
5.7787 10.0051 12.3173 13.7899 14.3290 17.5328 19.3327 19.6904
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.2500 0.6875 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2864 -7.1748 -7.1694 -7.1261 -7.1164 -3.0716 1.1104 4.4635
|
|
5.8301 10.0275 12.3473 13.7466 14.7490 17.1369 18.8454 19.4718
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.2188 0.6562 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2858 -7.1751 -7.1699 -7.1248 -7.1175 -3.0664 1.1045 4.3921
|
|
5.9007 10.0640 12.3685 13.6682 15.1588 16.7513 18.2927 19.3885
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.1875 0.6250 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2845 -7.1756 -7.1707 -7.1237 -7.1187 -3.1128 1.1834 4.3487
|
|
5.9888 10.1137 12.3937 13.5787 15.3005 16.6238 17.7594 19.4032
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.1562 0.5938 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2824 -7.1762 -7.1718 -7.1229 -7.1197 -3.2045 1.3391 4.3361
|
|
6.0927 10.1739 12.4273 13.4798 15.0222 16.8351 17.3497 19.4954
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.1250 0.5625 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2795 -7.1768 -7.1732 -7.1229 -7.1201 -3.3304 1.5575 4.3579
|
|
6.2100 10.2407 12.4676 13.3683 14.5788 16.6723 17.5290 19.6592
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.0938 0.5312 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2760 -7.1776 -7.1749 -7.1234 -7.1198 -3.4786 1.8220 4.4187
|
|
6.3377 10.3082 12.5029 13.2433 14.1216 16.3255 17.9454 19.8694
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.0625 0.5000 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2719 -7.1786 -7.1768 -7.1241 -7.1194 -3.6384 2.1152 4.5244
|
|
6.4721 10.3669 12.4976 13.1247 13.7064 16.0399 18.2794 19.9158
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.0312 0.4688 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2673 -7.1801 -7.1786 -7.1247 -7.1191 -3.8011 2.4200 4.6819
|
|
6.6084 10.4021 12.3927 13.0588 13.3689 15.8415 18.4497 19.5458
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.0000 0.4375 ( 1841 PWs) bands (ev):
|
|
|
|
-7.2624 -7.1821 -7.1802 -7.1250 -7.1189 -3.9600 2.7210 4.8976
|
|
6.7407 10.3918 12.1987 12.9640 13.2084 15.7316 18.3709 19.1095
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.5000 0.0000 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2630 -7.1766 -7.1763 -7.1330 -7.1147 -4.1916 3.4563 5.8455
|
|
5.9399 9.6598 10.8883 13.9783 14.1966 15.2820 18.7595 19.0897
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.5312-0.0312 ( 1830 PWs) bands (ev):
|
|
|
|
-7.2681 -7.1747 -7.1740 -7.1338 -7.1141 -4.0640 3.1538 5.6664
|
|
5.8478 9.6889 10.8622 13.9413 14.4125 15.7197 18.8819 19.3755
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.5625-0.0625 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2728 -7.1733 -7.1720 -7.1343 -7.1137 -3.9227 2.8353 5.4733
|
|
5.7584 9.7651 10.8899 13.8448 14.5610 16.2519 19.0564 19.5576
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.5938-0.0938 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2771 -7.1722 -7.1702 -7.1344 -7.1133 -3.7708 2.5129 5.2681
|
|
5.6831 9.8395 11.0116 13.7354 14.6407 16.8137 19.2948 19.6256
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.6250-0.1250 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2808 -7.1716 -7.1687 -7.1342 -7.1131 -3.6128 2.1977 5.0595
|
|
5.6277 9.8822 11.2426 13.6348 14.6597 17.3612 19.4934 19.7274
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.6562-0.1562 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2839 -7.1713 -7.1676 -7.1336 -7.1131 -3.4544 1.9005 4.8565
|
|
5.5939 9.8974 11.5601 13.5588 14.6319 17.8298 19.5158 20.0432
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.6875-0.1875 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2863 -7.1713 -7.1668 -7.1327 -7.1134 -3.3032 1.6327 4.6669
|
|
5.5822 9.9024 11.9199 13.5278 14.5732 18.0836 19.6210 20.2908
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.2812 0.7812 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2879 -7.1716 -7.1663 -7.1315 -7.1139 -3.1689 1.4070 4.4961
|
|
5.5923 9.9106 12.2629 13.5780 14.4996 17.9966 19.8562 20.1016
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.2500 0.7500 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2888 -7.1720 -7.1662 -7.1301 -7.1147 -3.0626 1.2366 4.3484
|
|
5.6238 9.9295 12.5165 13.7527 14.4337 17.6447 19.4803 20.1122
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.2188 0.7188 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2890 -7.1726 -7.1664 -7.1287 -7.1157 -2.9957 1.1341 4.2270
|
|
5.6759 9.9627 12.6522 13.9875 14.4573 17.1651 18.9075 20.0202
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.1875 0.6875 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2885 -7.1732 -7.1669 -7.1272 -7.1169 -2.9764 1.1079 4.1351
|
|
5.7474 10.0109 12.7135 14.0349 14.7434 16.6640 18.3248 19.9789
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.1562 0.6562 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2872 -7.1739 -7.1678 -7.1258 -7.1182 -3.0073 1.1597 4.0758
|
|
5.8370 10.0735 12.7465 13.9524 15.0685 16.2933 17.7727 19.9943
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.1250 0.6250 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2852 -7.1746 -7.1690 -7.1245 -7.1194 -3.0839 1.2826 4.0529
|
|
5.9429 10.1478 12.7743 13.8266 15.0019 16.3704 17.2868 20.0565
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.0938 0.5938 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2826 -7.1754 -7.1705 -7.1237 -7.1203 -3.1969 1.4633 4.0713
|
|
6.0627 10.2293 12.8050 13.6643 14.6129 16.6136 17.0756 20.1569
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.0625 0.5625 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2795 -7.1763 -7.1724 -7.1235 -7.1205 -3.3349 1.6846 4.1368
|
|
6.1934 10.3107 12.8337 13.4599 14.1855 16.3684 17.5153 20.2749
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.0312 0.5312 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2758 -7.1773 -7.1744 -7.1239 -7.1201 -3.4873 1.9284 4.2565
|
|
6.3314 10.3802 12.8192 13.2453 13.8103 16.1101 18.0221 20.2891
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375 0.0000 0.5000 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2717 -7.1785 -7.1766 -7.1244 -7.1195 -3.6450 2.1779 4.4369
|
|
6.4717 10.4196 12.6521 13.1419 13.5138 15.9339 18.3915 19.9547
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.5625 0.0000 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2730 -7.1718 -7.1715 -7.1355 -7.1134 -3.9679 2.9756 5.6250
|
|
5.7062 9.4812 10.7122 14.4234 14.7319 15.6987 19.0634 19.7365
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.5938-0.0312 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2775 -7.1701 -7.1694 -7.1363 -7.1128 -3.8340 2.6973 5.4513
|
|
5.6186 9.5250 10.6654 14.3655 14.9452 16.2040 19.2400 19.9714
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.6250-0.0625 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2815 -7.1689 -7.1675 -7.1366 -7.1124 -3.6892 2.4116 5.2508
|
|
5.5422 9.6129 10.6947 14.2627 15.0740 16.7744 19.4789 20.0803
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.6562-0.0938 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2850 -7.1682 -7.1659 -7.1366 -7.1122 -3.5374 2.1293 5.0318
|
|
5.4851 9.6933 10.8373 14.1508 15.1274 17.3471 19.7760 20.0733
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.6875-0.1250 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2878 -7.1679 -7.1647 -7.1361 -7.1122 -3.3840 1.8603 4.8078
|
|
5.4497 9.7405 11.1020 14.0455 15.1199 17.8592 19.9277 20.1773
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.7188-0.1562 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2899 -7.1681 -7.1639 -7.1353 -7.1125 -3.2360 1.6151 4.5911
|
|
5.4365 9.7644 11.4614 13.9571 15.0686 18.1795 19.9049 20.3952
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.2500 0.8125 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2913 -7.1685 -7.1634 -7.1342 -7.1130 -3.1021 1.4048 4.3908
|
|
5.4452 9.7836 11.8770 13.8975 14.9891 18.1246 20.0085 20.2516
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.2188 0.7812 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2920 -7.1692 -7.1632 -7.1329 -7.1138 -2.9928 1.2414 4.2138
|
|
5.4755 9.8102 12.3065 13.8867 14.8943 17.7449 19.5702 20.5050
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.1875 0.7500 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2920 -7.1700 -7.1635 -7.1314 -7.1149 -2.9187 1.1363 4.0653
|
|
5.5267 9.8501 12.6903 13.9604 14.7990 17.2219 18.9770 20.6174
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.1562 0.7188 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2913 -7.1709 -7.1640 -7.1297 -7.1161 -2.8885 1.0977 3.9500
|
|
5.5978 9.9057 12.9559 14.1345 14.7424 16.6634 18.3863 20.6250
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.1250 0.6875 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2900 -7.1719 -7.1650 -7.1281 -7.1174 -2.9057 1.1279 3.8725
|
|
5.6874 9.9768 13.0925 14.2369 14.8581 16.1525 17.8319 20.6527
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.0938 0.6562 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2881 -7.1729 -7.1663 -7.1265 -7.1188 -2.9680 1.2211 3.8378
|
|
5.7938 10.0611 13.1574 14.1304 15.0010 15.9195 17.3385 20.7091
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.0625 0.6250 ( 1810 PWs) bands (ev):
|
|
|
|
-7.2856 -7.1740 -7.1679 -7.1251 -7.1199 -3.0674 1.3645 3.8522
|
|
5.9147 10.1541 13.1955 13.9058 14.7428 16.2307 16.9469 20.7882
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.0312 0.5938 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2827 -7.1750 -7.1698 -7.1241 -7.1207 -3.1937 1.5413 3.9225
|
|
6.0473 10.2483 13.2223 13.5929 14.3774 16.4339 16.9748 20.8683
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.0000 0.5625 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2794 -7.1761 -7.1721 -7.1237 -7.1207 -3.3367 1.7342 4.0557
|
|
6.1878 10.3306 13.1679 13.2923 14.0546 16.2520 17.5110 20.7711
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.6250 0.0000 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2821 -7.1672 -7.1669 -7.1379 -7.1121 -3.7299 2.5131 5.4293
|
|
5.4978 9.3324 10.4677 14.9106 15.2737 16.2012 19.3932 20.3340
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.6562-0.0312 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2860 -7.1657 -7.1649 -7.1386 -7.1116 -3.5929 2.2600 5.2617
|
|
5.4184 9.3910 10.4207 14.8452 15.4811 16.7329 19.6177 20.4832
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.6875-0.0625 ( 1812 PWs) bands (ev):
|
|
|
|
-7.2893 -7.1648 -7.1633 -7.1388 -7.1113 -3.4486 2.0083 5.0559
|
|
5.3581 9.4874 10.4680 14.7414 15.5884 17.3081 19.9071 20.4686
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.7188-0.0938 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2919 -7.1645 -7.1620 -7.1386 -7.1113 -3.3020 1.7676 4.8275
|
|
5.3198 9.5678 10.6451 14.6295 15.6149 17.8461 20.2101 20.3353
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.7500-0.1250 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2938 -7.1647 -7.1611 -7.1379 -7.1115 -3.1594 1.5475 4.5939
|
|
5.3039 9.6150 10.9502 14.5225 15.5809 18.2205 20.1194 20.4787
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7812-0.2188 0.8438 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2950 -7.1653 -7.1606 -7.1368 -7.1120 -3.0291 1.3577 4.3693
|
|
5.3101 9.6459 11.3491 14.4287 15.5045 18.2190 20.1078 20.3423
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.1875 0.8125 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2954 -7.1661 -7.1604 -7.1355 -7.1128 -2.9204 1.2084 4.1647
|
|
5.3381 9.6784 11.8061 14.3557 15.3993 17.8439 19.6640 20.6087
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.1562 0.7812 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2952 -7.1672 -7.1607 -7.1340 -7.1139 -2.8434 1.1092 3.9885
|
|
5.3873 9.7225 12.2895 14.3142 15.2748 17.3046 19.0695 21.0094
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.1250 0.7500 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2943 -7.1685 -7.1613 -7.1323 -7.1151 -2.8061 1.0671 3.8477
|
|
5.4567 9.7822 12.7588 14.3204 15.1403 16.7225 18.4828 21.2237
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.0938 0.7188 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2929 -7.1698 -7.1623 -7.1305 -7.1165 -2.8128 1.0833 3.7493
|
|
5.5452 9.8582 13.1495 14.3770 15.0305 16.1593 17.9392 21.3098
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.0625 0.6875 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2909 -7.1711 -7.1637 -7.1287 -7.1179 -2.8624 1.1524 3.7001
|
|
5.6510 9.9488 13.3968 14.3512 15.0681 15.6970 17.4627 21.3784
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.0312 0.6562 ( 1811 PWs) bands (ev):
|
|
|
|
-7.2885 -7.1724 -7.1654 -7.1269 -7.1191 -2.9484 1.2622 3.7078
|
|
5.7719 10.0499 13.5072 14.1057 14.9940 15.7181 17.0765 21.4464
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625 0.0000 0.6250 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2858 -7.1737 -7.1675 -7.1253 -7.1201 -3.0620 1.3969 3.7800
|
|
5.9053 10.1541 13.5010 13.7656 14.6708 16.1854 16.8195 21.4262
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.6875 0.0000 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2902 -7.1629 -7.1626 -7.1403 -7.1108 -3.4839 2.0756 5.2609
|
|
5.3172 9.2168 10.2035 15.4258 15.8155 16.7409 19.7449 20.8147
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.7188-0.0312 ( 1811 PWs) bands (ev):
|
|
|
|
-7.2934 -7.1618 -7.1609 -7.1408 -7.1105 -3.3483 1.8504 5.1002
|
|
5.2494 9.2899 10.1697 15.3566 16.0129 17.2691 20.0056 20.8054
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.7500-0.0625 ( 1809 PWs) bands (ev):
|
|
|
|
-7.2958 -7.1613 -7.1595 -7.1407 -7.1104 -3.2102 1.6352 4.8923
|
|
5.2068 9.3911 10.2470 15.2524 16.0954 17.8091 20.3122 20.5882
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.7812-0.0938 ( 1811 PWs) bands (ev):
|
|
|
|
-7.2976 -7.1614 -7.1586 -7.1402 -7.1106 -3.0757 1.4393 4.6600
|
|
5.1872 9.4667 10.4679 15.1406 16.0918 18.2244 20.2958 20.5541
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8125-0.1875 0.8750 ( 1812 PWs) bands (ev):
|
|
|
|
-7.2986 -7.1620 -7.1581 -7.1393 -7.1110 -2.9521 1.2715 4.4233
|
|
5.1900 9.5127 10.8161 15.0326 16.0256 18.2920 20.1861 20.4325
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7812-0.1562 0.8438 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2988 -7.1630 -7.1579 -7.1380 -7.1118 -2.8482 1.1405 4.1981
|
|
5.2149 9.5512 11.2514 14.9353 15.9131 17.9512 19.7738 20.6324
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.1250 0.8125 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2984 -7.1643 -7.1582 -7.1365 -7.1128 -2.7729 1.0538 3.9972
|
|
5.2612 9.5978 11.7416 14.8541 15.7621 17.4190 19.1920 21.0776
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.0938 0.7812 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2973 -7.1659 -7.1589 -7.1348 -7.1140 -2.7334 1.0160 3.8314
|
|
5.3281 9.6594 12.2602 14.7941 15.5730 16.8415 18.6218 21.4907
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.0625 0.7500 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2957 -7.1675 -7.1599 -7.1329 -7.1153 -2.7340 1.0270 3.7101
|
|
5.4145 9.7378 12.7748 14.7550 15.3486 16.2863 18.1038 21.7608
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.0312 0.7188 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2936 -7.1691 -7.1614 -7.1309 -7.1167 -2.7737 1.0800 3.6431
|
|
5.5187 9.8320 13.2278 14.6749 15.1724 15.7968 17.6637 21.8967
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250 0.0000 0.6875 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2912 -7.1708 -7.1632 -7.1289 -7.1180 -2.8478 1.1632 3.6396
|
|
5.6388 9.9384 13.5163 14.4038 15.2328 15.4374 17.3188 21.8937
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.7500 0.0000 ( 1805 PWs) bands (ev):
|
|
|
|
-7.2970 -7.1592 -7.1587 -7.1423 -7.1098 -3.2392 1.6730 5.1218
|
|
5.1664 9.1368 9.9487 15.9527 16.3479 17.2844 20.1105 21.0733
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.7812-0.0312 ( 1805 PWs) bands (ev):
|
|
|
|
-7.2994 -7.1584 -7.1574 -7.1426 -7.1096 -3.1115 1.4802 4.9687
|
|
5.1130 9.2233 9.9367 15.8805 16.5274 17.7753 20.3814 20.8302
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8125-0.0625 ( 1808 PWs) bands (ev):
|
|
|
|
-7.3011 -7.1583 -7.1565 -7.1422 -7.1097 -2.9876 1.3065 4.7627
|
|
5.0887 9.3241 10.0535 15.7756 16.5766 18.2081 20.4540 20.6319
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8438-0.1562 0.9062 ( 1811 PWs) bands (ev):
|
|
|
|
-7.3019 -7.1589 -7.1559 -7.1415 -7.1100 -2.8744 1.1606 4.5323
|
|
5.0875 9.3914 10.3238 15.6628 16.5306 18.3512 20.2554 20.5382
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8125-0.1250 0.8750 ( 1810 PWs) bands (ev):
|
|
|
|
-7.3020 -7.1600 -7.1558 -7.1403 -7.1107 -2.7797 1.0498 4.2994
|
|
5.1085 9.4374 10.7139 15.5520 16.4108 18.0749 19.9032 20.6272
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7812-0.0938 0.8438 ( 1815 PWs) bands (ev):
|
|
|
|
-7.3014 -7.1615 -7.1561 -7.1388 -7.1117 -2.7113 0.9799 4.0818
|
|
5.1512 9.4857 11.1817 15.4484 16.2238 17.5777 19.3517 21.0386
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.0625 0.8125 ( 1821 PWs) bands (ev):
|
|
|
|
-7.3002 -7.1632 -7.1568 -7.1371 -7.1128 -2.6753 0.9533 3.8945
|
|
5.2149 9.5476 11.6987 15.3542 15.9605 17.0384 18.8141 21.4664
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.0312 0.7812 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2984 -7.1651 -7.1579 -7.1351 -7.1141 -2.6749 0.9674 3.7506
|
|
5.2984 9.6266 12.2414 15.2647 15.6108 16.5403 18.3399 21.8015
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875 0.0000 0.7500 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2962 -7.1671 -7.1594 -7.1331 -7.1154 -2.7091 1.0139 3.6629
|
|
5.4004 9.7224 12.7765 15.0856 15.2810 16.1170 17.9537 21.9849
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.8125 0.0000 ( 1790 PWs) bands (ev):
|
|
|
|
-7.3024 -7.1560 -7.1556 -7.1440 -7.1089 -3.0096 1.3196 5.0134
|
|
5.0467 9.0934 9.7201 16.4743 16.8526 17.7969 20.4700 21.0359
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0938 0.8438-0.0312 ( 1802 PWs) bands (ev):
|
|
|
|
-7.3041 -7.1557 -7.1547 -7.1440 -7.1089 -2.8991 1.1670 4.8687
|
|
5.0101 9.1909 9.7361 16.3987 16.9960 18.1955 20.5921 20.7382
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8750-0.1250 0.9375 ( 1805 PWs) bands (ev):
|
|
|
|
-7.3049 -7.1562 -7.1542 -7.1433 -7.1092 -2.8001 1.0425 4.6690
|
|
5.0041 9.2841 9.9015 16.2909 16.9879 18.4025 20.3311 20.6662
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8438-0.0938 0.9062 ( 1808 PWs) bands (ev):
|
|
|
|
-7.3049 -7.1573 -7.1541 -7.1422 -7.1097 -2.7193 0.9533 4.4464
|
|
5.0208 9.3417 10.2231 16.1722 16.8607 18.2220 20.0518 20.6171
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8125-0.0625 0.8750 ( 1810 PWs) bands (ev):
|
|
|
|
-7.3041 -7.1588 -7.1544 -7.1409 -7.1105 -2.6633 0.9035 4.2244
|
|
5.0595 9.3914 10.6506 16.0492 16.6223 17.7962 19.5577 20.9442
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7812-0.0312 0.8438 ( 1820 PWs) bands (ev):
|
|
|
|
-7.3027 -7.1607 -7.1551 -7.1392 -7.1116 -2.6367 0.8935 4.0231
|
|
5.1193 9.4523 11.1456 15.9197 16.2674 17.3277 19.0736 21.3215
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500 0.0000 0.8125 ( 1822 PWs) bands (ev):
|
|
|
|
-7.3008 -7.1629 -7.1563 -7.1373 -7.1128 -2.6411 0.9183 3.8598
|
|
5.1995 9.5305 11.6839 15.7417 15.8392 16.8998 18.6618 21.6245
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625 0.8750 0.0000 ( 1798 PWs) bands (ev):
|
|
|
|
-7.3064 -7.1537 -7.1534 -7.1453 -7.1083 -2.8149 1.0361 4.9366
|
|
4.9592 9.0862 9.5279 16.9656 17.2917 18.2267 20.7141 20.8784
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9062-0.0938 0.9688 ( 1803 PWs) bands (ev):
|
|
|
|
-7.3072 -7.1539 -7.1529 -7.1449 -7.1084 -2.7338 0.9340 4.8014
|
|
4.9413 9.1891 9.5793 16.8833 17.3538 18.4520 20.4303 20.8253
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8750-0.0625 0.9375 ( 1803 PWs) bands (ev):
|
|
|
|
-7.3072 -7.1549 -7.1528 -7.1439 -7.1088 -2.6717 0.8680 4.6123
|
|
4.9532 9.2655 9.8030 16.7631 17.2250 18.3884 20.2058 20.6479
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8438-0.0312 0.9062 ( 1802 PWs) bands (ev):
|
|
|
|
-7.3064 -7.1564 -7.1531 -7.1426 -7.1095 -2.6335 0.8412 4.4032
|
|
4.9874 9.3171 10.1714 16.6150 16.9338 18.0719 19.8168 20.8151
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8125 0.0000 0.8750 ( 1807 PWs) bands (ev):
|
|
|
|
-7.3048 -7.1584 -7.1539 -7.1410 -7.1105 -2.6218 0.8521 4.1993
|
|
5.0431 9.3759 10.6292 16.3923 16.5473 17.6880 19.4112 21.0914
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9375-0.0625 1.0000 ( 1799 PWs) bands (ev):
|
|
|
|
-7.3089 -7.1522 -7.1520 -7.1460 -7.1079 -2.6809 0.8485 4.8919
|
|
4.9048 9.1097 9.3830 17.3789 17.5856 18.5023 20.5702 20.9904
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9062-0.0312 0.9688 ( 1801 PWs) bands (ev):
|
|
|
|
-7.3088 -7.1530 -7.1520 -7.1452 -7.1082 -2.6417 0.8078 4.7676
|
|
4.9068 9.2036 9.4846 17.2744 17.4789 18.5343 20.3392 20.7971
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8750 0.0000 0.9375 ( 1801 PWs) bands (ev):
|
|
|
|
-7.3080 -7.1545 -7.1524 -7.1441 -7.1087 -2.6256 0.8064 4.5934
|
|
4.9363 9.2606 9.7685 17.0639 17.1950 18.3540 20.1107 20.7076
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0625-1.0000 0.0000 ( 1790 PWs) bands (ev):
|
|
|
|
-7.3097 -7.1517 -7.1516 -7.1462 -7.1078 -2.6326 0.7823 4.8782
|
|
4.8854 9.1333 9.3186 17.6153 17.6270 18.5890 20.5019 21.0763
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.2500 0.0000 ( 1834 PWs) bands (ev):
|
|
|
|
-7.2234 -7.1940 -7.1923 -7.1243 -7.1200 -4.8272 5.1959 6.7220
|
|
7.1975 9.8578 10.9691 12.1269 12.5389 15.8109 16.7810 17.4628
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.2812-0.0312 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2293 -7.1924 -7.1903 -7.1247 -7.1196 -4.7291 4.7707 6.5035
|
|
7.1355 9.9655 11.0431 12.2844 12.8016 15.6864 17.1024 17.4001
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.3125-0.0625 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2357 -7.1907 -7.1883 -7.1250 -7.1192 -4.6118 4.3131 6.3131
|
|
7.0485 9.9917 11.1975 12.4619 13.0180 15.6550 17.2131 17.5885
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.3438-0.0938 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2424 -7.1889 -7.1863 -7.1251 -7.1188 -4.4771 3.8425 6.1485
|
|
6.9443 9.9596 11.3969 12.6302 13.1996 15.7242 17.2363 17.8457
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.3750-0.1250 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2491 -7.1870 -7.1845 -7.1251 -7.1184 -4.3272 3.3735 6.0071
|
|
6.8314 9.8970 11.5971 12.7546 13.3894 15.8885 17.2767 18.0405
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.4062-0.1562 ( 1839 PWs) bands (ev):
|
|
|
|
-7.2556 -7.1853 -7.1828 -7.1248 -7.1180 -4.1654 2.9178 5.8870
|
|
6.7169 9.8228 11.7622 12.8170 13.6332 16.1345 17.2996 18.2584
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.4375-0.1875 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2616 -7.1837 -7.1814 -7.1243 -7.1176 -3.9958 2.4856 5.7866
|
|
6.6067 9.7476 11.8738 12.8300 13.9447 16.4414 17.2979 18.5664
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3438 0.4688-0.2188 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2670 -7.1823 -7.1801 -7.1235 -7.1173 -3.8242 2.0866 5.7047
|
|
6.5055 9.6778 11.9338 12.8150 14.3120 16.7561 17.3377 18.9578
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.5000-0.2500 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2717 -7.1812 -7.1791 -7.1226 -7.1171 -3.6584 1.7316 5.6401
|
|
6.4171 9.6172 11.9567 12.7872 14.7104 16.9520 17.5657 19.3905
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4062 0.5312-0.2812 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2755 -7.1804 -7.1783 -7.1217 -7.1170 -3.5085 1.4328 5.5916
|
|
6.3448 9.5681 11.9587 12.7565 15.1033 17.0435 17.9810 19.6956
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.4375 0.6875 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2782 -7.1798 -7.1778 -7.1208 -7.1171 -3.3869 1.2039 5.5580
|
|
6.2912 9.5322 11.9524 12.7299 15.4378 17.1667 18.4328 19.4070
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.4062 0.6562 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2800 -7.1795 -7.1774 -7.1201 -7.1172 -3.3068 1.0590 5.5384
|
|
6.2581 9.5103 11.9457 12.7121 15.6561 17.3614 18.6059 19.2723
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.3750 0.6250 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2805 -7.1794 -7.1773 -7.1198 -7.1173 -3.2787 1.0092 5.5319
|
|
6.2469 9.5030 11.9430 12.7059 15.7295 17.4936 18.4744 19.4724
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.3125 0.0000 ( 1834 PWs) bands (ev):
|
|
|
|
-7.2327 -7.1905 -7.1890 -7.1258 -7.1189 -4.6959 4.7243 6.4520
|
|
6.9167 10.1782 10.7837 12.5820 12.8701 15.4235 17.2960 17.6972
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.3438-0.0312 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2387 -7.1888 -7.1869 -7.1263 -7.1184 -4.5858 4.3240 6.2293
|
|
6.8472 10.2441 10.8763 12.7604 13.0484 15.4304 17.5600 17.7433
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.3750-0.0625 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2449 -7.1871 -7.1849 -7.1267 -7.1180 -4.4577 3.8958 6.0351
|
|
6.7551 10.2418 11.0509 12.9350 13.1550 15.5589 17.6079 18.0196
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.4062-0.0938 ( 1830 PWs) bands (ev):
|
|
|
|
-7.2511 -7.1854 -7.1830 -7.1268 -7.1175 -4.3139 3.4567 5.8674
|
|
6.6493 10.1970 11.2690 13.0622 13.2444 15.7883 17.6648 18.2552
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.4375-0.1250 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2572 -7.1838 -7.1812 -7.1267 -7.1172 -4.1571 3.0205 5.7234
|
|
6.5390 10.1331 11.4860 13.1119 13.3854 16.0910 17.7178 18.4708
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.4688-0.1562 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2629 -7.1824 -7.1796 -7.1263 -7.1168 -3.9911 2.5991 5.6002
|
|
6.4321 10.0638 11.6625 13.1268 13.5824 16.4429 17.7311 18.7577
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.5000-0.1875 ( 1837 PWs) bands (ev):
|
|
|
|
-7.2681 -7.1812 -7.1783 -7.1257 -7.1165 -3.8211 2.2037 5.4957
|
|
6.3347 9.9968 11.7768 13.1261 13.8505 16.8083 17.7399 19.1330
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3438 0.5312-0.2188 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2726 -7.1802 -7.1772 -7.1248 -7.1164 -3.6543 1.8453 5.4079
|
|
6.2520 9.9369 11.8340 13.1098 14.1952 17.0984 17.8527 19.5558
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.5625-0.2500 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2763 -7.1795 -7.1763 -7.1239 -7.1164 -3.4997 1.5362 5.3354
|
|
6.1876 9.8871 11.8549 13.0816 14.5958 17.2160 18.1710 19.8181
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.4062 0.7188 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2791 -7.1790 -7.1757 -7.1229 -7.1165 -3.3691 1.2900 5.2771
|
|
6.1442 9.8494 11.8593 13.0481 15.0149 17.2358 18.5794 19.4664
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.3750 0.6875 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2810 -7.1787 -7.1754 -7.1219 -7.1169 -3.2753 1.1209 5.2326
|
|
6.1235 9.8248 11.8607 13.0157 15.3966 17.2399 18.6831 19.3765
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.3438 0.6562 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2818 -7.1785 -7.1752 -7.1213 -7.1172 -3.2299 1.0415 5.2020
|
|
6.1258 9.8141 11.8663 12.9887 15.6510 17.2476 18.4601 19.5067
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.3125 0.6250 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2815 -7.1786 -7.1754 -7.1210 -7.1175 -3.2395 1.0586 5.1860
|
|
6.1509 9.8173 11.8794 12.9694 15.6740 17.2411 18.4310 19.1484
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.2812 0.5938 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2802 -7.1788 -7.1758 -7.1214 -7.1175 -3.3027 1.1706 5.1859
|
|
6.1974 9.8344 11.8993 12.9581 15.4529 17.2226 18.4016 18.9645
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.2500 0.5625 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2778 -7.1792 -7.1764 -7.1222 -7.1174 -3.4106 1.3681 5.2030
|
|
6.2636 9.8647 11.9223 12.9534 15.0842 17.1915 18.0131 19.3532
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.2188 0.5312 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2746 -7.1798 -7.1773 -7.1231 -7.1174 -3.5509 1.6376 5.2391
|
|
6.3473 9.9071 11.9396 12.9525 14.6637 17.0604 17.7099 19.8096
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750-0.1875 0.5000 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2704 -7.1808 -7.1784 -7.1240 -7.1174 -3.7108 1.9645 5.2958
|
|
6.4454 9.9601 11.9365 12.9521 14.2490 16.7609 17.6244 19.6272
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3438-0.1562 0.4688 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2655 -7.1820 -7.1796 -7.1247 -7.1175 -3.8796 2.3352 5.3753
|
|
6.5548 10.0208 11.8917 12.9487 13.8758 16.4182 17.6330 19.1892
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3125-0.1250 0.4375 ( 1837 PWs) bands (ev):
|
|
|
|
-7.2600 -7.1835 -7.1810 -7.1253 -7.1178 -4.0488 2.7375 5.4800
|
|
6.6711 10.0846 11.7853 12.9351 13.5692 16.1167 17.6342 18.7947
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2812-0.0938 0.4062 ( 1834 PWs) bands (ev):
|
|
|
|
-7.2540 -7.1853 -7.1826 -7.1256 -7.1181 -4.2121 3.1593 5.6129
|
|
6.7893 10.1440 11.6157 12.8855 13.3509 15.8820 17.5754 18.4756
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500-0.0625 0.3750 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2478 -7.1872 -7.1843 -7.1257 -7.1184 -4.3648 3.5881 5.7780
|
|
6.9029 10.1853 11.4107 12.7647 13.2280 15.7189 17.4589 18.1954
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2188-0.0312 0.3438 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2414 -7.1890 -7.1862 -7.1255 -7.1188 -4.5035 4.0097 5.9798
|
|
7.0043 10.1847 11.2181 12.5949 13.1407 15.6274 17.3466 17.8847
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1875 0.0000 0.3125 ( 1840 PWs) bands (ev):
|
|
|
|
-7.2352 -7.1908 -7.1882 -7.1252 -7.1192 -4.6255 4.4089 6.2221
|
|
7.0846 10.1134 11.0883 12.4249 13.0109 15.6135 17.2763 17.5546
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.3750 0.0000 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2427 -7.1865 -7.1852 -7.1277 -7.1176 -4.5386 4.2533 6.1827
|
|
6.6171 10.2518 10.7957 13.0676 13.1450 15.2497 17.8527 17.9902
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.4062-0.0312 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2485 -7.1847 -7.1831 -7.1283 -7.1171 -4.4177 3.8794 5.9611
|
|
6.5403 10.3006 10.8887 13.1695 13.2875 15.4295 17.9767 18.2195
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.4375-0.0625 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2544 -7.1831 -7.1811 -7.1286 -7.1167 -4.2804 3.4831 5.7650
|
|
6.4446 10.3187 11.0445 13.1589 13.4536 15.7187 18.0532 18.4875
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.4688-0.0938 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2600 -7.1816 -7.1792 -7.1287 -7.1162 -4.1293 3.0789 5.5928
|
|
6.3404 10.2989 11.2568 13.1294 13.5853 16.0753 18.1512 18.7006
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.5000-0.1250 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2653 -7.1804 -7.1775 -7.1285 -7.1159 -3.9679 2.6797 5.4418
|
|
6.2379 10.2565 11.4841 13.1319 13.6778 16.4712 18.2062 18.9552
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.5312-0.1562 ( 1830 PWs) bands (ev):
|
|
|
|
-7.2702 -7.1794 -7.1760 -7.1280 -7.1157 -3.8009 2.2977 5.3095
|
|
6.1450 10.2065 11.6758 13.1984 13.7530 16.8792 18.2139 19.3066
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.5625-0.1875 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2744 -7.1786 -7.1748 -7.1272 -7.1156 -3.6345 1.9446 5.1938
|
|
6.0680 10.1583 11.7976 13.3095 13.8712 17.2410 18.2573 19.7184
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3438 0.5938-0.2188 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2779 -7.1780 -7.1739 -7.1263 -7.1156 -3.4774 1.6330 5.0934
|
|
6.0111 10.1174 11.8539 13.3817 14.1177 17.4399 18.4612 19.9594
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.3750 0.7500 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2806 -7.1776 -7.1732 -7.1252 -7.1159 -3.3400 1.3763 5.0076
|
|
5.9766 10.0870 11.8715 13.3900 14.4901 17.4371 18.8190 19.5716
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.3438 0.7188 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2824 -7.1774 -7.1729 -7.1242 -7.1164 -3.2349 1.1890 4.9368
|
|
5.9658 10.0688 11.8745 13.3663 14.9192 17.3024 18.9210 19.4982
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.3125 0.6875 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2833 -7.1773 -7.1728 -7.1232 -7.1170 -3.1742 1.0844 4.8819
|
|
5.9786 10.0638 11.8773 13.3317 15.3239 17.0893 18.7047 19.5574
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.2812 0.6562 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2833 -7.1774 -7.1730 -7.1225 -7.1175 -3.1661 1.0714 4.8443
|
|
6.0142 10.0718 11.8873 13.2948 15.5561 16.9297 18.5815 19.1441
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.2500 0.6250 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2822 -7.1776 -7.1734 -7.1223 -7.1179 -3.2118 1.1509 4.8256
|
|
6.0710 10.0926 11.9067 13.2585 15.4385 16.9988 18.4047 18.8851
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.2188 0.5938 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2803 -7.1780 -7.1741 -7.1227 -7.1180 -3.3048 1.3159 4.8279
|
|
6.1470 10.1251 11.9336 13.2215 15.0761 17.1400 18.0481 19.0622
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.1875 0.5625 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2774 -7.1785 -7.1751 -7.1235 -7.1179 -3.4338 1.5533 4.8534
|
|
6.2399 10.1679 11.9612 13.1806 14.6454 17.0427 17.8880 19.4466
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.1562 0.5312 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2738 -7.1792 -7.1763 -7.1243 -7.1178 -3.5861 1.8481 4.9046
|
|
6.3466 10.2185 11.9745 13.1325 14.2263 16.7199 17.9383 19.8671
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750-0.1250 0.5000 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2694 -7.1803 -7.1777 -7.1251 -7.1177 -3.7505 2.1854 4.9848
|
|
6.4636 10.2732 11.9478 13.0808 13.8566 16.3768 18.0184 19.7401
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3438-0.0938 0.4688 ( 1836 PWs) bands (ev):
|
|
|
|
-7.2645 -7.1817 -7.1792 -7.1257 -7.1178 -3.9178 2.5508 5.0979
|
|
6.5864 10.3260 11.8518 13.0408 13.5526 16.0884 18.0553 19.2867
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3125-0.0625 0.4375 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2590 -7.1834 -7.1807 -7.1260 -7.1179 -4.0813 2.9301 5.2490
|
|
6.7094 10.3659 11.6828 13.0153 13.3182 15.8755 17.9940 18.8679
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2812-0.0312 0.4062 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2532 -7.1852 -7.1824 -7.1261 -7.1182 -4.2358 3.3087 5.4438
|
|
6.8258 10.3733 11.4819 12.9322 13.1974 15.7365 17.8042 18.5225
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.0000 0.3750 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2473 -7.1872 -7.1842 -7.1259 -7.1184 -4.3774 3.6726 5.6872
|
|
6.9272 10.3191 11.3123 12.7633 13.1790 15.6573 17.5545 18.2053
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.4375 0.0000 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2530 -7.1821 -7.1810 -7.1299 -7.1163 -4.3574 3.7863 5.9244
|
|
6.3190 10.0964 10.9299 13.3348 13.6032 15.3445 18.2976 18.4670
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.4688-0.0312 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2585 -7.1804 -7.1789 -7.1304 -7.1158 -4.2271 3.4399 5.7073
|
|
6.2358 10.1628 10.9891 13.2864 13.8069 15.6703 18.3945 18.7595
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.5000-0.0625 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2638 -7.1789 -7.1769 -7.1307 -7.1153 -4.0824 3.0772 5.5094
|
|
6.1393 10.2235 11.1095 13.2025 13.9654 16.0664 18.5412 18.9749
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.5312-0.0938 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2687 -7.1778 -7.1751 -7.1307 -7.1150 -3.9264 2.7107 5.3298
|
|
6.0415 10.2471 11.3093 13.1250 14.0676 16.4989 18.6770 19.1729
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.5625-0.1250 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2732 -7.1769 -7.1735 -7.1304 -7.1148 -3.7635 2.3526 5.1670
|
|
5.9527 10.2388 11.5568 13.0898 14.1184 16.9425 18.7210 19.4765
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.5938-0.1562 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2771 -7.1763 -7.1722 -7.1298 -7.1147 -3.5993 2.0149 5.0199
|
|
5.8804 10.2167 11.7899 13.1383 14.1354 17.3538 18.7306 19.8693
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.6250-0.1875 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2803 -7.1759 -7.1712 -7.1289 -7.1149 -3.4415 1.7100 4.8881
|
|
5.8290 10.1943 11.9477 13.3006 14.1491 17.6288 18.8348 20.1393
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.3438 0.7812 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2828 -7.1757 -7.1705 -7.1278 -7.1152 -3.2998 1.4514 4.7722
|
|
5.8011 10.1792 12.0192 13.5244 14.2232 17.6437 19.1293 19.7479
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.3125 0.7500 ( 1811 PWs) bands (ev):
|
|
|
|
-7.2844 -7.1757 -7.1701 -7.1266 -7.1157 -3.1861 1.2535 4.6733
|
|
5.7974 10.1753 12.0385 13.6639 14.4645 17.4222 19.2939 19.6364
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.2812 0.7188 ( 1811 PWs) bands (ev):
|
|
|
|
-7.2853 -7.1758 -7.1700 -7.1255 -7.1165 -3.1123 1.1299 4.5930
|
|
5.8175 10.1843 12.0387 13.6853 14.8550 17.0618 19.0719 19.6579
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.2500 0.6875 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2853 -7.1760 -7.1702 -7.1245 -7.1173 -3.0880 1.0910 4.5332
|
|
5.8603 10.2064 12.0380 13.6545 15.2428 16.6949 18.8091 19.3328
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.2188 0.6562 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2845 -7.1763 -7.1707 -7.1238 -7.1180 -3.1165 1.1401 4.4960
|
|
5.9244 10.2409 12.0448 13.6018 15.3649 16.5801 18.3845 19.2239
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.1875 0.6250 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2828 -7.1767 -7.1715 -7.1236 -7.1185 -3.1938 1.2722 4.4841
|
|
6.0076 10.2862 12.0612 13.5325 15.0864 16.8163 17.9498 19.2848
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.1562 0.5938 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2803 -7.1772 -7.1726 -7.1239 -7.1186 -3.3100 1.4755 4.5003
|
|
6.1075 10.3396 12.0836 13.4410 14.6759 16.9336 17.7826 19.4585
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.1250 0.5625 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2771 -7.1779 -7.1740 -7.1246 -7.1184 -3.4530 1.7345 4.5482
|
|
6.2211 10.3975 12.0999 13.3193 14.2804 16.6766 18.0030 19.7256
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.0938 0.5312 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2732 -7.1788 -7.1755 -7.1253 -7.1182 -3.6112 2.0329 4.6323
|
|
6.3447 10.4541 12.0832 13.1771 13.9467 16.3522 18.2580 19.9283
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750-0.0625 0.5000 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2688 -7.1799 -7.1772 -7.1258 -7.1180 -3.7751 2.3544 4.7583
|
|
6.4735 10.5000 11.9931 13.0662 13.6724 16.0834 18.4134 19.6542
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3438-0.0312 0.4688 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2639 -7.1815 -7.1789 -7.1261 -7.1179 -3.9373 2.6833 4.9324
|
|
6.6018 10.5191 11.8216 13.0342 13.4322 15.8963 18.4115 19.1973
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3125 0.0000 0.4375 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2587 -7.1833 -7.1806 -7.1262 -7.1180 -4.0922 3.0052 5.1602
|
|
6.7221 10.4858 11.6274 13.0441 13.2327 15.7873 18.1811 18.8267
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.5000 0.0000 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2632 -7.1775 -7.1765 -7.1322 -7.1149 -4.1547 3.3263 5.6840
|
|
6.0341 9.9081 10.9476 13.5703 14.1409 15.6568 18.6668 19.0652
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.5312-0.0312 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2681 -7.1760 -7.1744 -7.1327 -7.1144 -4.0169 3.0079 5.4735
|
|
5.9467 9.9914 10.9771 13.4840 14.3492 16.0642 18.8375 19.3089
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.5625-0.0625 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2727 -7.1748 -7.1724 -7.1330 -7.1141 -3.8672 2.6802 5.2730
|
|
5.8536 10.0758 11.0853 13.3775 14.4908 16.5170 19.0578 19.4613
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.5938-0.0938 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2769 -7.1740 -7.1708 -7.1328 -7.1139 -3.7095 2.3541 5.0829
|
|
5.7677 10.1245 11.2958 13.2773 14.5646 16.9862 19.2103 19.6550
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.6250-0.1250 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2804 -7.1735 -7.1694 -7.1323 -7.1138 -3.5489 2.0409 4.9044
|
|
5.6983 10.1393 11.5845 13.2062 14.5839 17.4323 19.2174 20.0033
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.6562-0.1562 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2833 -7.1733 -7.1683 -7.1315 -7.1140 -3.3923 1.7523 4.7396
|
|
5.6505 10.1396 11.8941 13.1973 14.5683 17.7624 19.2321 20.3567
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.3125 0.8125 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2855 -7.1733 -7.1676 -7.1305 -7.1144 -3.2489 1.5014 4.5911
|
|
5.6267 10.1406 12.1455 13.3032 14.5393 17.8087 19.4241 20.0624
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.2812 0.7812 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2870 -7.1735 -7.1672 -7.1293 -7.1150 -3.1293 1.3018 4.4615
|
|
5.6274 10.1505 12.2807 13.5469 14.5283 17.5397 19.6761 19.8705
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.2500 0.7500 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2877 -7.1738 -7.1671 -7.1280 -7.1158 -3.0454 1.1672 4.3535
|
|
5.6521 10.1731 12.3256 13.8214 14.6072 17.0991 19.3761 19.9412
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.2188 0.7188 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2877 -7.1742 -7.1673 -7.1268 -7.1168 -3.0071 1.1087 4.2698
|
|
5.6996 10.2096 12.3327 13.9499 14.8722 16.6171 18.9100 19.7962
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.1875 0.6875 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2869 -7.1747 -7.1679 -7.1257 -7.1178 -3.0197 1.1314 4.2132
|
|
5.7684 10.2597 12.3317 13.9321 15.1813 16.2505 18.3801 19.7590
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.1562 0.6562 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2854 -7.1752 -7.1688 -7.1249 -7.1186 -3.0811 1.2320 4.1868
|
|
5.8565 10.3213 12.3348 13.8377 15.1263 16.3258 17.8791 19.7960
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.1250 0.6250 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2832 -7.1759 -7.1699 -7.1246 -7.1191 -3.1834 1.4000 4.1944
|
|
5.9614 10.3910 12.3442 13.6797 14.7879 16.6534 17.5317 19.8887
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.0938 0.5938 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2803 -7.1766 -7.1714 -7.1248 -7.1190 -3.3154 1.6199 4.2408
|
|
6.0802 10.4635 12.3524 13.4564 14.4493 16.6284 17.6694 20.0252
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.0625 0.5625 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2769 -7.1774 -7.1732 -7.1253 -7.1187 -3.4656 1.8744 4.3318
|
|
6.2090 10.5301 12.3319 13.2082 14.1629 16.3614 18.0924 20.1478
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.0312 0.5312 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2730 -7.1785 -7.1751 -7.1258 -7.1184 -3.6242 2.1463 4.4739
|
|
6.3432 10.5775 12.2266 13.0367 13.9052 16.1268 18.4549 19.9921
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.0000 0.5000 ( 1835 PWs) bands (ev):
|
|
|
|
-7.2686 -7.1798 -7.1770 -7.1261 -7.1181 -3.7834 2.4199 4.6731
|
|
6.4767 10.5837 12.0265 12.9998 13.6564 15.9730 18.6018 19.5660
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.5625 0.0000 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2728 -7.1730 -7.1718 -7.1346 -7.1136 -3.9337 2.8764 5.4662
|
|
5.7701 9.7340 10.8228 13.9016 14.6909 16.0940 19.0594 19.6524
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.5938-0.0312 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2772 -7.1717 -7.1698 -7.1351 -7.1132 -3.7910 2.5870 5.2637
|
|
5.6814 9.8322 10.8389 13.8076 14.8995 16.5360 19.3003 19.8269
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.6250-0.0625 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2810 -7.1708 -7.1680 -7.1351 -7.1129 -3.6395 2.2956 5.0595
|
|
5.5968 9.9291 10.9548 13.6965 15.0216 17.0116 19.5785 19.9012
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.6562-0.0938 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2843 -7.1703 -7.1666 -7.1348 -7.1129 -3.4840 2.0122 4.8569
|
|
5.5282 9.9880 11.1915 13.5879 15.0681 17.4784 19.6608 20.1210
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.6875-0.1250 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2869 -7.1702 -7.1655 -7.1341 -7.1131 -3.3307 1.7474 4.6618
|
|
5.4818 10.0150 11.5243 13.4964 15.0597 17.8474 19.5788 20.4749
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.2812 0.8438 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2888 -7.1704 -7.1647 -7.1332 -7.1135 -3.1880 1.5128 4.4805
|
|
5.4600 10.0312 11.9059 13.4413 15.0172 17.9317 19.6306 20.5027
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.2500 0.8125 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2900 -7.1709 -7.1642 -7.1320 -7.1142 -3.0657 1.3209 4.3185
|
|
5.4630 10.0515 12.2739 13.4597 14.9584 17.6492 19.8388 20.2553
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.2188 0.7812 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2905 -7.1714 -7.1642 -7.1306 -7.1150 -2.9750 1.1845 4.1804
|
|
5.4901 10.0832 12.5406 13.6120 14.9027 17.1717 19.5181 20.4372
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.1875 0.7500 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2904 -7.1721 -7.1644 -7.1292 -7.1161 -2.9258 1.1144 4.0704
|
|
5.5401 10.1293 12.6638 13.8852 14.8898 16.6416 18.9702 20.3892
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.1562 0.7188 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2895 -7.1729 -7.1651 -7.1278 -7.1173 -2.9244 1.1164 3.9921
|
|
5.6116 10.1902 12.7021 14.0855 15.0136 16.1492 18.4057 20.3825
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.1250 0.6875 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2880 -7.1736 -7.1660 -7.1266 -7.1183 -2.9707 1.1889 3.9499
|
|
5.7027 10.2642 12.7118 14.0525 15.1906 15.8914 17.8777 20.4184
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.0938 0.6562 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2860 -7.1745 -7.1673 -7.1257 -7.1191 -3.0587 1.3223 3.9487
|
|
5.8108 10.3478 12.7159 13.8405 15.0092 16.1738 17.4396 20.4882
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.0625 0.6250 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2834 -7.1753 -7.1689 -7.1253 -7.1195 -3.1783 1.5015 3.9942
|
|
5.9333 10.4348 12.7163 13.5253 14.7265 16.4884 17.2741 20.5796
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.0312 0.5938 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2803 -7.1762 -7.1708 -7.1253 -7.1193 -3.3186 1.7092 4.0932
|
|
6.0662 10.5151 12.6803 13.2048 14.4533 16.4057 17.6299 20.6426
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375 0.0000 0.5625 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2768 -7.1773 -7.1729 -7.1256 -7.1189 -3.4700 1.9286 4.2518
|
|
6.2049 10.5716 12.5043 13.0405 14.1779 16.2363 18.1199 20.4297
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.6250 0.0000 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2817 -7.1686 -7.1672 -7.1370 -7.1123 -3.6990 2.4416 5.2746
|
|
5.5321 9.5860 10.6116 14.3198 15.2458 16.5912 19.4708 20.1786
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.6562-0.0312 ( 1811 PWs) bands (ev):
|
|
|
|
-7.2853 -7.1675 -7.1654 -7.1373 -7.1120 -3.5548 2.1823 5.0807
|
|
5.4457 9.6975 10.6327 14.2236 15.4506 17.0380 19.7695 20.2350
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.6875-0.0625 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2883 -7.1670 -7.1639 -7.1371 -7.1120 -3.4058 1.9289 4.8718
|
|
5.3749 9.7999 10.7728 14.1113 15.5505 17.5026 20.0148 20.2309
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.7188-0.0938 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2907 -7.1670 -7.1627 -7.1366 -7.1121 -3.2578 1.6908 4.6571
|
|
5.3277 9.8610 11.0460 13.9995 15.5685 17.8960 19.8511 20.5417
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.2500 0.8750 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2923 -7.1673 -7.1619 -7.1358 -7.1125 -3.1184 1.4780 4.4483
|
|
5.3058 9.8949 11.4204 13.8991 15.5307 18.0249 19.7792 20.6512
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.2188 0.8438 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2933 -7.1679 -7.1615 -7.1346 -7.1132 -2.9967 1.3012 4.2554
|
|
5.3093 9.9242 11.8533 13.8216 15.4566 17.7599 19.9447 20.3719
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.1875 0.8125 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2936 -7.1688 -7.1614 -7.1332 -7.1141 -2.9029 1.1716 4.0864
|
|
5.3371 9.9618 12.3021 13.7854 15.3583 17.2774 19.6120 20.6010
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.1562 0.7812 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2932 -7.1697 -7.1617 -7.1317 -7.1152 -2.8466 1.0988 3.9479
|
|
5.3881 10.0133 12.7038 13.8276 15.2454 16.7418 19.0393 20.9371
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.1250 0.7500 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2923 -7.1708 -7.1624 -7.1301 -7.1165 -2.8344 1.0881 3.8456
|
|
5.4607 10.0803 12.9700 13.9796 15.1451 16.2353 18.4652 21.0255
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.0938 0.7188 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2907 -7.1718 -7.1634 -7.1286 -7.1177 -2.8675 1.1381 3.7853
|
|
5.5531 10.1619 13.0864 14.0898 15.1722 15.8207 17.9343 21.0793
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.0625 0.6875 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2887 -7.1729 -7.1648 -7.1272 -7.1187 -2.9415 1.2401 3.7733
|
|
5.6631 10.2549 13.1274 13.9152 15.2826 15.6989 17.4828 21.1444
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.0312 0.6562 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2863 -7.1740 -7.1665 -7.1261 -7.1194 -3.0479 1.3798 3.8165
|
|
5.7879 10.3531 13.1403 13.5523 15.0557 16.0978 17.1722 21.2135
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.0000 0.6250 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2835 -7.1751 -7.1685 -7.1255 -7.1196 -3.1767 1.5410 3.9216
|
|
5.9238 10.4460 13.0549 13.2273 14.7620 16.4049 17.1939 21.1675
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.6875 0.0000 ( 1810 PWs) bands (ev):
|
|
|
|
-7.2895 -7.1645 -7.1630 -7.1392 -7.1112 -3.4570 2.0283 5.1117
|
|
5.3237 9.4692 10.3698 14.7928 15.7979 17.1081 19.8910 20.5489
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.7188-0.0312 ( 1812 PWs) bands (ev):
|
|
|
|
-7.2923 -7.1638 -7.1614 -7.1393 -7.1111 -3.3160 1.8017 4.9265
|
|
5.2439 9.5921 10.4095 14.6937 15.9922 17.5309 20.2188 20.3999
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.7500-0.0625 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2945 -7.1637 -7.1602 -7.1389 -7.1112 -3.1754 1.5891 4.7129
|
|
5.1918 9.6943 10.5860 14.5802 16.0638 17.9251 20.0751 20.5899
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7812-0.2188 0.9062 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2960 -7.1641 -7.1594 -7.1382 -7.1115 -3.0421 1.3995 4.4893
|
|
5.1679 9.7533 10.9020 14.4668 16.0453 18.1008 19.9013 20.7141
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.1875 0.8750 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2967 -7.1648 -7.1590 -7.1371 -7.1122 -2.9245 1.2421 4.2727
|
|
5.1703 9.7930 11.3154 14.3624 15.9629 17.8829 20.0166 20.4435
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.1562 0.8438 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2968 -7.1659 -7.1589 -7.1357 -7.1131 -2.8318 1.1259 4.0760
|
|
5.1975 9.8350 11.7869 14.2747 15.8274 17.4272 19.7038 20.6376
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.1250 0.8125 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2962 -7.1671 -7.1592 -7.1342 -7.1142 -2.7729 1.0585 3.9092
|
|
5.2480 9.8894 12.2839 14.2124 15.6344 16.9262 19.1312 21.1039
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.0938 0.7812 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2951 -7.1685 -7.1599 -7.1325 -7.1155 -2.7541 1.0435 3.7812
|
|
5.3205 9.9595 12.7649 14.1865 15.3785 16.4750 18.5646 21.4739
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.0625 0.7500 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2934 -7.1699 -7.1610 -7.1307 -7.1167 -2.7770 1.0787 3.7000
|
|
5.4131 10.0452 13.1586 14.1794 15.1282 16.1047 18.0517 21.6524
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.0312 0.7188 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2914 -7.1713 -7.1625 -7.1290 -7.1179 -2.8386 1.1556 3.6738
|
|
5.5238 10.1439 13.3891 14.0207 15.1444 15.7910 17.6273 21.7379
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625 0.0000 0.6875 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2890 -7.1727 -7.1643 -7.1274 -7.1189 -2.9318 1.2607 3.7105
|
|
5.6499 10.2500 13.4486 13.6712 15.3303 15.6613 17.3228 21.7119
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.7500 0.0000 ( 1807 PWs) bands (ev):
|
|
|
|
-7.2961 -7.1609 -7.1593 -7.1411 -7.1103 -3.2169 1.6467 4.9793
|
|
5.1474 9.3860 10.1319 15.2957 16.3342 17.6092 20.3014 20.6319
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1562 0.7812-0.0312 ( 1809 PWs) bands (ev):
|
|
|
|
-7.2982 -7.1606 -7.1581 -7.1409 -7.1103 -3.0858 1.4569 4.8023
|
|
5.0789 9.5178 10.1994 15.1930 16.5038 17.9622 20.2764 20.6249
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8125-0.1875 0.9375 ( 1812 PWs) bands (ev):
|
|
|
|
-7.2995 -7.1609 -7.1573 -7.1403 -7.1106 -2.9616 1.2895 4.5857
|
|
5.0491 9.6141 10.4215 15.0781 16.5282 18.1720 20.0150 20.7760
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7812-0.1562 0.9062 ( 1815 PWs) bands (ev):
|
|
|
|
-7.3000 -7.1617 -7.1568 -7.1393 -7.1112 -2.8520 1.1528 4.3589
|
|
5.0489 9.6697 10.7823 14.9635 16.4414 18.0299 20.0569 20.5354
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.1250 0.8750 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2999 -7.1629 -7.1568 -7.1380 -7.1120 -2.7651 1.0539 4.1424
|
|
5.0743 9.7164 11.2314 14.8565 16.2559 17.6394 19.8036 20.6465
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.0938 0.8438 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2991 -7.1644 -7.1571 -7.1365 -7.1131 -2.7088 0.9982 3.9514
|
|
5.1235 9.7721 11.7336 14.7617 15.9632 17.2126 19.2547 21.1005
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.0625 0.8125 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2978 -7.1661 -7.1578 -7.1347 -7.1143 -2.6884 0.9871 3.7981
|
|
5.1949 9.8432 12.2616 14.6804 15.5698 16.8348 18.7154 21.5328
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.0312 0.7812 ( 1810 PWs) bands (ev):
|
|
|
|
-7.2960 -7.1678 -7.1590 -7.1329 -7.1156 -2.7055 1.0165 3.6939
|
|
5.2868 9.9307 12.7797 14.5878 15.1590 16.4932 18.2454 21.8351
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250 0.0000 0.7500 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2938 -7.1696 -7.1605 -7.1309 -7.1168 -2.7575 1.0769 3.6494
|
|
5.3973 10.0326 13.2144 14.3432 14.9805 16.1463 17.8787 21.9552
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8125 0.0000 ( 1799 PWs) bands (ev):
|
|
|
|
-7.3014 -7.1578 -7.1562 -7.1426 -7.1095 -2.9924 1.3110 4.8790
|
|
5.0048 9.3380 9.9172 15.8107 16.8279 18.0475 20.4590 20.6648
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8438-0.1562 0.9688 ( 1806 PWs) bands (ev):
|
|
|
|
-7.3026 -7.1580 -7.1555 -7.1422 -7.1097 -2.8805 1.1646 4.7090
|
|
4.9531 9.4742 10.0201 15.7044 16.9345 18.2551 20.1367 20.8346
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8125-0.1250 0.9375 ( 1811 PWs) bands (ev):
|
|
|
|
-7.3031 -7.1588 -7.1551 -7.1413 -7.1102 -2.7829 1.0489 4.4927
|
|
4.9474 9.5590 10.2947 15.5875 16.8519 18.2082 20.0820 20.6535
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7812-0.0938 0.9062 ( 1812 PWs) bands (ev):
|
|
|
|
-7.3028 -7.1601 -7.1551 -7.1400 -7.1109 -2.7068 0.9697 4.2697
|
|
4.9701 9.6129 10.6982 15.4703 16.6040 17.9240 19.9100 20.6469
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.0625 0.8750 ( 1815 PWs) bands (ev):
|
|
|
|
-7.3019 -7.1617 -7.1554 -7.1385 -7.1119 -2.6587 0.9305 4.0623
|
|
5.0171 9.6692 11.1783 15.3576 16.2108 17.5842 19.4198 21.0319
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.0312 0.8438 ( 1815 PWs) bands (ev):
|
|
|
|
-7.3003 -7.1637 -7.1562 -7.1368 -7.1131 -2.6425 0.9302 3.8876
|
|
5.0867 9.7398 11.7049 15.2467 15.7232 17.2451 18.9359 21.4247
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875 0.0000 0.8125 ( 1811 PWs) bands (ev):
|
|
|
|
-7.2983 -7.1657 -7.1574 -7.1349 -7.1144 -2.6590 0.9626 3.7603
|
|
5.1772 9.8274 12.2527 15.0536 15.2878 16.8849 18.5369 21.7106
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8750-0.1250 1.0000 ( 1799 PWs) bands (ev):
|
|
|
|
-7.3053 -7.1555 -7.1541 -7.1437 -7.1089 -2.8029 1.0414 4.8117
|
|
4.8973 9.3245 9.7373 16.3204 17.2139 18.3590 20.2766 20.8775
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8438-0.0938 0.9688 ( 1807 PWs) bands (ev):
|
|
|
|
-7.3057 -7.1562 -7.1538 -7.1429 -7.1093 -2.7216 0.9473 4.6470
|
|
4.8681 9.4570 9.8849 16.2097 17.1600 18.3988 20.1206 20.7972
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8125-0.0625 0.9375 ( 1808 PWs) bands (ev):
|
|
|
|
-7.3053 -7.1575 -7.1538 -7.1418 -7.1099 -2.6614 0.8900 4.4361
|
|
4.8866 9.5273 10.2148 16.0874 16.8620 18.2448 20.0101 20.6805
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7812-0.0312 0.9062 ( 1811 PWs) bands (ev):
|
|
|
|
-7.3042 -7.1592 -7.1542 -7.1404 -7.1108 -2.6271 0.8711 4.2245
|
|
4.9309 9.5842 10.6551 15.9586 16.4020 17.9760 19.6370 20.9175
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500 0.0000 0.8750 ( 1813 PWs) bands (ev):
|
|
|
|
-7.3025 -7.1613 -7.1550 -7.1387 -7.1119 -2.6210 0.8873 4.0353
|
|
4.9981 9.6532 11.1602 15.7733 15.9099 17.6383 19.2453 21.2101
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8750-0.0625 1.0000 ( 1800 PWs) bands (ev):
|
|
|
|
-7.3076 -7.1541 -7.1529 -7.1443 -7.1086 -2.6730 0.8632 4.7774
|
|
4.8261 9.3401 9.6038 16.7968 17.3602 18.5307 20.2032 20.9298
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8438-0.0312 0.9688 ( 1802 PWs) bands (ev):
|
|
|
|
-7.3072 -7.1552 -7.1530 -7.1433 -7.1091 -2.6335 0.8298 4.6160
|
|
4.8252 9.4558 9.8090 16.6756 17.0504 18.5060 20.0878 20.8151
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8125 0.0000 0.9375 ( 1805 PWs) bands (ev):
|
|
|
|
-7.3060 -7.1570 -7.1534 -7.1419 -7.1099 -2.6180 0.8341 4.4170
|
|
4.8663 9.5170 10.1875 16.4885 16.6053 18.3074 19.8933 20.7998
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250-1.0000 0.0000 ( 1802 PWs) bands (ev):
|
|
|
|
-7.3084 -7.1536 -7.1525 -7.1444 -7.1085 -2.6263 0.8003 4.7704
|
|
4.7978 9.3577 9.5466 17.1571 17.2107 18.5985 20.1761 21.0672
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.3750 0.0000 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2445 -7.1871 -7.1848 -7.1269 -7.1180 -4.4709 3.9799 5.9518
|
|
6.7905 10.3681 10.9267 12.9309 13.1402 15.5036 17.6686 18.0228
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.4062-0.0312 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2504 -7.1853 -7.1828 -7.1272 -7.1176 -4.3389 3.6053 5.7127
|
|
6.7054 10.4210 11.0679 13.0727 13.1966 15.6603 17.7897 18.3391
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.4375-0.0625 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2562 -7.1836 -7.1810 -7.1274 -7.1172 -4.1921 3.2130 5.5128
|
|
6.6017 10.4085 11.2790 13.0878 13.3436 15.8753 17.9408 18.6254
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.4688-0.0938 ( 1834 PWs) bands (ev):
|
|
|
|
-7.2619 -7.1821 -7.1793 -7.1272 -7.1169 -4.0337 2.8169 5.3489
|
|
6.4893 10.3640 11.5012 13.0872 13.5079 16.1433 18.0463 18.9313
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.5000-0.1250 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2671 -7.1807 -7.1777 -7.1268 -7.1167 -3.8678 2.4305 5.2166
|
|
6.3765 10.3085 11.6796 13.1267 13.6783 16.4632 18.0677 19.3140
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3438 0.5312-0.1562 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2717 -7.1797 -7.1763 -7.1262 -7.1166 -3.7002 2.0668 5.1118
|
|
6.2703 10.2528 11.7838 13.1973 13.8975 16.8167 18.0483 19.7486
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.5625-0.1875 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2757 -7.1789 -7.1751 -7.1253 -7.1166 -3.5385 1.7388 5.0309
|
|
6.1762 10.2026 11.8222 13.2573 14.2055 17.1372 18.0747 19.9094
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.4062 0.7812 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2789 -7.1783 -7.1742 -7.1244 -7.1168 -3.3927 1.4602 4.9712
|
|
6.0984 10.1612 11.8231 13.2890 14.5933 17.2810 18.2795 19.4593
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.3750 0.7500 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2813 -7.1779 -7.1735 -7.1235 -7.1170 -3.2746 1.2457 4.9302
|
|
6.0403 10.1305 11.8104 13.3008 15.0157 17.2051 18.6338 19.0916
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.3438 0.7188 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2827 -7.1777 -7.1731 -7.1228 -7.1173 -3.1969 1.1094 4.9064
|
|
6.0045 10.1117 11.7982 13.3035 15.3953 17.0193 18.6557 19.2816
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.3125 0.6875 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2832 -7.1777 -7.1730 -7.1225 -7.1174 -3.1696 1.0626 4.8986
|
|
5.9923 10.1053 11.7935 13.3037 15.5704 16.9052 18.5848 19.5774
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.4375 0.0000 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2541 -7.1830 -7.1810 -7.1289 -7.1167 -4.2928 3.5548 5.6942
|
|
6.4759 10.4051 10.9411 13.1438 13.4946 15.6384 18.1071 18.5322
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.4688-0.0312 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2595 -7.1814 -7.1790 -7.1292 -7.1163 -4.1525 3.2070 5.4618
|
|
6.3857 10.4802 11.0603 13.0716 13.6942 15.8992 18.2903 18.8138
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.5000-0.0625 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2648 -7.1799 -7.1771 -7.1293 -7.1160 -3.9998 2.8470 5.2646
|
|
6.2812 10.4956 11.2622 13.0026 13.8589 16.1980 18.4645 19.0827
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.5312-0.0938 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2696 -7.1788 -7.1754 -7.1290 -7.1158 -3.8383 2.4873 5.1001
|
|
6.1732 10.4734 11.4950 12.9811 13.9790 16.5361 18.5338 19.4289
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.5625-0.1250 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2739 -7.1779 -7.1739 -7.1285 -7.1157 -3.6733 2.1411 4.9646
|
|
6.0706 10.4382 11.6885 13.0512 14.0659 16.9019 18.5136 19.8480
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3438 0.5938-0.1562 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2776 -7.1773 -7.1726 -7.1277 -7.1158 -3.5117 1.8214 4.8542
|
|
5.9807 10.4029 11.7968 13.2265 14.1535 17.2403 18.4904 20.0466
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.3750 0.8125 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2806 -7.1769 -7.1716 -7.1268 -7.1160 -3.3625 1.5422 4.7657
|
|
5.9088 10.3738 11.8300 13.4389 14.3044 17.4054 18.6007 19.6537
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.3438 0.7812 ( 1809 PWs) bands (ev):
|
|
|
|
-7.2829 -7.1766 -7.1709 -7.1258 -7.1164 -3.2368 1.3182 4.6967
|
|
5.8586 10.3540 11.8251 13.5843 14.5845 17.2750 18.9270 19.3133
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.3125 0.7500 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2843 -7.1765 -7.1705 -7.1249 -7.1168 -3.1469 1.1640 4.6458
|
|
5.8326 10.3451 11.8101 13.6431 14.9668 16.9496 19.0367 19.4367
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.2812 0.7188 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2849 -7.1765 -7.1704 -7.1242 -7.1173 -3.1038 1.0920 4.6125
|
|
5.8318 10.3474 11.7993 13.6527 15.3207 16.6146 18.9371 19.6702
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.2500 0.6875 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2846 -7.1766 -7.1706 -7.1240 -7.1175 -3.1134 1.1087 4.5972
|
|
5.8560 10.3608 11.7990 13.6354 15.3685 16.5693 18.8756 19.3293
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.2188 0.6562 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2835 -7.1768 -7.1710 -7.1243 -7.1175 -3.1744 1.2123 4.6013
|
|
5.9042 10.3845 11.8099 13.5938 15.0549 16.8584 18.6262 19.1780
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.1875 0.6250 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2815 -7.1772 -7.1718 -7.1249 -7.1173 -3.2785 1.3936 4.6268
|
|
5.9743 10.4176 11.8273 13.5154 14.6645 17.1226 18.2866 19.3401
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.1562 0.5938 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2787 -7.1776 -7.1728 -7.1257 -7.1171 -3.4140 1.6385 4.6765
|
|
6.0633 10.4584 11.8383 13.3806 14.3314 17.0782 18.2003 19.6520
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750-0.1250 0.5625 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2752 -7.1783 -7.1741 -7.1265 -7.1169 -3.5687 1.9315 4.7538
|
|
6.1674 10.5044 11.8171 13.1989 14.0933 16.7833 18.3101 19.9713
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3438-0.0938 0.5312 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2711 -7.1792 -7.1756 -7.1271 -7.1168 -3.7323 2.2575 4.8629
|
|
6.2821 10.5514 11.7260 13.0423 13.9165 16.4548 18.4184 19.7714
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3125-0.0625 0.5000 ( 1832 PWs) bands (ev):
|
|
|
|
-7.2664 -7.1804 -7.1773 -7.1276 -7.1168 -3.8966 2.6015 5.0088
|
|
6.4015 10.5907 11.5497 12.9771 13.7484 16.1735 18.4425 19.3299
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2812-0.0312 0.4688 ( 1834 PWs) bands (ev):
|
|
|
|
-7.2613 -7.1818 -7.1790 -7.1277 -7.1170 -4.0553 2.9493 5.1968
|
|
6.5181 10.6043 11.3322 12.9974 13.5619 15.9569 18.3161 18.9490
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.0000 0.4375 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2559 -7.1835 -7.1809 -7.1276 -7.1172 -4.2039 3.2875 5.4312
|
|
6.6229 10.5559 11.1534 13.0563 13.3606 15.7930 18.0532 18.6452
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.5000 0.0000 ( 1830 PWs) bands (ev):
|
|
|
|
-7.2636 -7.1787 -7.1767 -7.1310 -7.1153 -4.0939 3.1363 5.4561
|
|
6.1622 10.2690 11.0209 13.2008 14.0522 15.9544 18.5868 19.0544
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.5312-0.0312 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2685 -7.1774 -7.1747 -7.1313 -7.1150 -3.9475 2.8170 5.2328
|
|
6.0674 10.3766 11.1130 13.0932 14.2600 16.2697 18.8276 19.2885
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.5625-0.0625 ( 1831 PWs) bands (ev):
|
|
|
|
-7.2730 -7.1764 -7.1729 -7.1312 -7.1148 -3.7915 2.4919 5.0380
|
|
5.9645 10.4358 11.3016 12.9954 14.4080 16.6171 18.9890 19.5544
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.5938-0.0938 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2769 -7.1756 -7.1713 -7.1309 -7.1147 -3.6304 2.1724 4.8703
|
|
5.8653 10.4488 11.5562 12.9407 14.4949 16.9901 18.9837 19.9367
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.6250-0.1250 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2803 -7.1752 -7.1699 -7.1302 -7.1148 -3.4706 1.8708 4.7269
|
|
5.7788 10.4422 11.7971 12.9790 14.5377 17.3401 18.9059 20.2297
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.3438 0.8438 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2831 -7.1749 -7.1689 -7.1294 -7.1151 -3.3203 1.6007 4.6057
|
|
5.7115 10.4338 11.9438 13.1616 14.5625 17.5221 18.9103 19.9751
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.3125 0.8125 ( 1812 PWs) bands (ev):
|
|
|
|
-7.2851 -7.1749 -7.1681 -7.1283 -7.1156 -3.1896 1.3763 4.5048
|
|
5.6677 10.4322 11.9889 13.4591 14.6065 17.3671 19.1603 19.7116
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.2812 0.7812 ( 1812 PWs) bands (ev):
|
|
|
|
-7.2864 -7.1749 -7.1677 -7.1273 -7.1162 -3.0904 1.2122 4.4237
|
|
5.6495 10.4411 11.9823 13.7510 14.7337 16.9707 19.4444 19.6739
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.2500 0.7500 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2870 -7.1751 -7.1676 -7.1263 -7.1169 -3.0337 1.1214 4.3628
|
|
5.6577 10.4616 11.9621 13.9134 15.0020 16.5099 19.3247 19.8546
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.2188 0.7188 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2867 -7.1753 -7.1678 -7.1256 -7.1175 -3.0271 1.1122 4.3234
|
|
5.6914 10.4934 11.9458 13.9377 15.2711 16.1816 19.0234 19.6613
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.1875 0.6875 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2858 -7.1756 -7.1683 -7.1253 -7.1179 -3.0714 1.1851 4.3078
|
|
5.7491 10.5351 11.9401 13.8658 15.1563 16.3337 18.5655 19.6282
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.1562 0.6562 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2840 -7.1760 -7.1692 -7.1256 -7.1179 -3.1606 1.3325 4.3188
|
|
5.8285 10.5842 11.9447 13.7016 14.8474 16.7256 18.1451 19.6996
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.1250 0.6250 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2816 -7.1765 -7.1703 -7.1261 -7.1177 -3.2840 1.5412 4.3602
|
|
5.9264 10.6376 11.9507 13.4477 14.5914 16.9194 17.9973 19.8427
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.0938 0.5938 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2785 -7.1771 -7.1717 -7.1267 -7.1174 -3.4299 1.7950 4.4366
|
|
6.0390 10.6905 11.9336 13.1633 14.3996 16.7366 18.2375 20.0282
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750-0.0625 0.5625 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2749 -7.1779 -7.1734 -7.1273 -7.1171 -3.5877 2.0776 4.5533
|
|
6.1615 10.7354 11.8480 12.9488 14.2238 16.4555 18.5407 20.0440
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3438-0.0312 0.5312 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2708 -7.1789 -7.1752 -7.1277 -7.1169 -3.7487 2.3730 4.7161
|
|
6.2876 10.7574 11.6713 12.8714 14.0275 16.2213 18.7136 19.6697
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3125 0.0000 0.5000 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2662 -7.1802 -7.1771 -7.1278 -7.1169 -3.9063 2.6672 4.9300
|
|
6.4097 10.7261 11.4685 12.9071 13.8015 16.0607 18.6451 19.2568
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.5625 0.0000 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2727 -7.1746 -7.1722 -7.1332 -7.1141 -3.8776 2.7270 5.2425
|
|
5.8627 10.1100 10.9839 13.3888 14.6241 16.3720 19.0948 19.5567
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.5938-0.0312 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2769 -7.1735 -7.1703 -7.1334 -7.1138 -3.7279 2.4380 5.0298
|
|
5.7649 10.2376 11.0676 13.2739 14.8347 16.7086 19.3669 19.7291
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.6250-0.0625 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2805 -7.1729 -7.1686 -7.1332 -7.1138 -3.5721 2.1503 4.8363
|
|
5.6676 10.3197 11.2682 13.1623 14.9632 17.0744 19.4158 20.0307
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.6562-0.0938 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2836 -7.1725 -7.1672 -7.1327 -7.1139 -3.4158 1.8744 4.6621
|
|
5.5827 10.3543 11.5653 13.0760 15.0200 17.4267 19.2723 20.4078
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.3125 0.8750 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2860 -7.1725 -7.1661 -7.1319 -7.1142 -3.2666 1.6221 4.5071
|
|
5.5183 10.3691 11.8896 13.0515 15.0287 17.6222 19.1647 20.4309
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.2812 0.8438 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2878 -7.1726 -7.1653 -7.1309 -7.1148 -3.1338 1.4067 4.3719
|
|
5.4789 10.3834 12.1420 13.1583 15.0129 17.4648 19.3306 20.2454
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.2500 0.8125 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2889 -7.1729 -7.1649 -7.1298 -7.1155 -3.0283 1.2419 4.2578
|
|
5.4665 10.4064 12.2520 13.4376 14.9968 17.0411 19.6569 20.1392
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.2188 0.7812 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2893 -7.1733 -7.1648 -7.1286 -7.1163 -2.9611 1.1406 4.1667
|
|
5.4811 10.4418 12.2673 13.7883 15.0195 16.5375 19.5469 20.2818
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.1875 0.7500 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2891 -7.1737 -7.1650 -7.1276 -7.1172 -2.9404 1.1117 4.1013
|
|
5.5218 10.4902 12.2516 14.0299 15.1553 16.0702 19.0735 20.2076
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.1562 0.7188 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2881 -7.1742 -7.1656 -7.1268 -7.1179 -2.9690 1.1576 4.0649
|
|
5.5866 10.5503 12.2332 14.0259 15.3116 15.8598 18.5452 20.2086
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.1250 0.6875 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2866 -7.1748 -7.1665 -7.1264 -7.1182 -3.0429 1.2723 4.0613
|
|
5.6730 10.6192 12.2213 13.8080 15.1470 16.1908 18.0630 20.2601
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.0938 0.6562 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2844 -7.1754 -7.1678 -7.1265 -7.1182 -3.1530 1.4435 4.0952
|
|
5.7779 10.6918 12.2127 13.4724 14.9463 16.5882 17.7477 20.3479
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.0625 0.6250 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2817 -7.1760 -7.1693 -7.1269 -7.1179 -3.2884 1.6550 4.1721
|
|
5.8974 10.7605 12.1856 13.1255 14.7601 16.6621 17.8546 20.4482
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.0312 0.5938 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2785 -7.1768 -7.1711 -7.1273 -7.1176 -3.4385 1.8902 4.2982
|
|
6.0266 10.8124 12.0827 12.8834 14.5526 16.4866 18.2633 20.4325
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.0000 0.5625 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2748 -7.1777 -7.1731 -7.1276 -7.1172 -3.5943 2.1335 4.4786
|
|
6.1593 10.8240 11.8777 12.8175 14.3052 16.3210 18.6271 20.0825
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.6250 0.0000 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2811 -7.1705 -7.1677 -7.1354 -7.1129 -3.6485 2.3305 5.0566
|
|
5.5866 9.9670 10.8343 13.7130 15.1997 16.8369 19.6102 19.9759
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.6562-0.0312 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2845 -7.1698 -7.1660 -7.1355 -7.1128 -3.4992 2.0741 4.8555
|
|
5.4883 10.1082 10.9260 13.5975 15.4073 17.1683 19.7762 20.1321
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.6875-0.0625 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2873 -7.1696 -7.1645 -7.1351 -7.1129 -3.3482 1.8264 4.6618
|
|
5.4019 10.1992 11.1541 13.4808 15.5118 17.5042 19.5727 20.5207
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.2812 0.9062 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2894 -7.1696 -7.1634 -7.1344 -7.1133 -3.2024 1.5976 4.4787
|
|
5.3375 10.2436 11.4954 13.3781 15.5352 17.7093 19.3724 20.8583
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.2500 0.8750 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2909 -7.1700 -7.1626 -7.1334 -7.1138 -3.0703 1.3987 4.3106
|
|
5.3002 10.2726 11.8917 13.3094 15.5042 17.5713 19.4711 20.7652
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.2188 0.8438 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2918 -7.1705 -7.1622 -7.1323 -7.1146 -2.9620 1.2421 4.1624
|
|
5.2914 10.3050 12.2703 13.3179 15.4362 17.1552 19.7926 20.4246
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.1875 0.8125 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2920 -7.1711 -7.1621 -7.1310 -7.1155 -2.8878 1.1391 4.0391
|
|
5.3105 10.3488 12.5233 13.4833 15.3397 16.6645 19.6530 20.5281
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.1562 0.7812 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2916 -7.1719 -7.1624 -7.1297 -7.1165 -2.8562 1.0986 3.9454
|
|
5.3560 10.4065 12.6128 13.7875 15.2324 16.2185 19.1184 20.7949
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.1250 0.7500 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2906 -7.1726 -7.1630 -7.1286 -7.1175 -2.8711 1.1234 3.8861
|
|
5.4257 10.4778 12.6236 13.9847 15.2228 15.8929 18.5646 20.8411
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.0938 0.7188 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2891 -7.1734 -7.1640 -7.1277 -7.1182 -2.9303 1.2088 3.8663
|
|
5.5173 10.5599 12.6134 13.8364 15.3917 15.7821 18.0597 20.8937
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.0625 0.6875 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2871 -7.1742 -7.1653 -7.1272 -7.1185 -3.0265 1.3435 3.8919
|
|
5.6275 10.6479 12.5977 13.4766 15.3255 16.1095 17.6668 20.9630
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.0312 0.6562 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2846 -7.1750 -7.1670 -7.1270 -7.1184 -3.1498 1.5121 3.9690
|
|
5.7525 10.7324 12.5533 13.1009 15.1264 16.4640 17.5314 21.0256
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375 0.0000 0.6250 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2817 -7.1758 -7.1690 -7.1271 -7.1180 -3.2901 1.6988 4.1032
|
|
5.8876 10.7971 12.3748 12.8930 14.8640 16.5363 17.8146 20.9033
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.6875 0.0000 ( 1810 PWs) bands (ev):
|
|
|
|
-7.2885 -7.1667 -7.1636 -7.1375 -7.1119 -3.4132 1.9530 4.9013
|
|
5.3400 9.8504 10.6316 14.1269 15.7678 17.3085 20.0549 20.2390
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2188 0.7188-0.0312 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2911 -7.1664 -7.1621 -7.1373 -7.1120 -3.2692 1.7319 4.7120
|
|
5.2450 10.0013 10.7449 14.0103 15.9620 17.5945 19.8270 20.5847
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.2500 0.9375 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2930 -7.1665 -7.1609 -7.1367 -7.1123 -3.1292 1.5275 4.5163
|
|
5.1757 10.0925 11.0112 13.8916 16.0294 17.7953 19.5568 20.9209
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.2188 0.9062 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2942 -7.1670 -7.1601 -7.1358 -7.1128 -3.0009 1.3493 4.3236
|
|
5.1374 10.1415 11.3947 13.7823 15.9979 17.6970 19.5897 20.8858
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.1875 0.8750 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2948 -7.1678 -7.1597 -7.1347 -7.1136 -2.8935 1.2072 4.1448
|
|
5.1300 10.1820 11.8405 13.6944 15.8846 17.3273 19.8906 20.4947
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.1562 0.8438 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2948 -7.1687 -7.1596 -7.1333 -7.1146 -2.8165 1.1108 3.9895
|
|
5.1517 10.2306 12.3002 13.6474 15.6818 16.9043 19.7339 20.5813
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.1250 0.8125 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2942 -7.1697 -7.1600 -7.1319 -7.1157 -2.7780 1.0673 3.8659
|
|
5.2004 10.2928 12.7010 13.6824 15.3832 16.5547 19.1809 21.0539
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.0938 0.7812 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2931 -7.1708 -7.1606 -7.1305 -7.1168 -2.7823 1.0788 3.7813
|
|
5.2735 10.3697 12.9396 13.8196 15.0782 16.2975 18.6248 21.3831
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.0625 0.7500 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2915 -7.1719 -7.1617 -7.1292 -7.1177 -2.8286 1.1408 3.7427
|
|
5.3687 10.4594 13.0220 13.8039 15.0562 16.0881 18.1269 21.5025
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.0312 0.7188 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2896 -7.1729 -7.1631 -7.1281 -7.1184 -2.9111 1.2430 3.7571
|
|
5.4828 10.5571 13.0376 13.4716 15.3817 15.9110 17.7350 21.5667
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.0000 0.6875 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2872 -7.1740 -7.1649 -7.1274 -7.1186 -3.0212 1.3713 3.8310
|
|
5.6123 10.6538 12.9463 13.1284 15.4314 16.0796 17.5074 21.5253
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875 0.7500 0.0000 ( 1809 PWs) bands (ev):
|
|
|
|
-7.2948 -7.1634 -7.1599 -7.1393 -7.1111 -3.1808 1.6035 4.7784
|
|
5.1272 9.7645 10.4209 14.5924 16.3087 17.7390 20.0590 20.6152
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7812-0.2188 0.9688 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2965 -7.1634 -7.1588 -7.1388 -7.1113 -3.0491 1.4219 4.6004
|
|
5.0406 9.9207 10.5658 14.4740 16.4617 17.9031 19.7367 20.9361
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.1875 0.9375 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2976 -7.1640 -7.1580 -7.1380 -7.1118 -2.9279 1.2650 4.4012
|
|
4.9952 10.0067 10.8775 14.3543 16.4449 17.8566 19.6942 20.9341
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.1562 0.9062 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2979 -7.1649 -7.1576 -7.1369 -7.1126 -2.8254 1.1409 4.2013
|
|
4.9865 10.0589 11.3010 14.2427 16.2737 17.5798 19.9469 20.5655
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.1250 0.8750 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2977 -7.1660 -7.1576 -7.1356 -7.1135 -2.7504 1.0571 4.0184
|
|
5.0092 10.1111 11.7836 14.1466 15.9520 17.2662 19.8110 20.6138
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.0938 0.8438 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2969 -7.1674 -7.1579 -7.1341 -7.1147 -2.7098 1.0184 3.8658
|
|
5.0597 10.1753 12.2888 14.0734 15.5160 17.0044 19.2703 21.0856
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.0625 0.8125 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2956 -7.1688 -7.1586 -7.1325 -7.1158 -2.7078 1.0251 3.7543
|
|
5.1350 10.2546 12.7692 14.0230 15.0608 16.7726 18.7352 21.5219
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.0312 0.7812 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2939 -7.1702 -7.1597 -7.1309 -7.1169 -2.7442 1.0720 3.6935
|
|
5.2327 10.3481 13.1394 13.9131 14.7934 16.5233 18.2764 21.7948
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625 0.0000 0.7500 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2919 -7.1716 -7.1613 -7.1294 -7.1178 -2.8143 1.1488 3.6922
|
|
5.3498 10.4517 13.3017 13.5990 14.9720 16.2225 17.9370 21.8642
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8125-0.1875 1.0000 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2998 -7.1605 -7.1570 -7.1407 -7.1104 -2.9650 1.2957 4.6896
|
|
4.9511 9.7112 10.2272 15.0866 16.7728 18.0607 19.9280 20.9158
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7812-0.1562 0.9688 ( 1819 PWs) bands (ev):
|
|
|
|
-7.3007 -7.1610 -7.1563 -7.1399 -7.1109 -2.8543 1.1594 4.5209
|
|
4.8796 9.8670 10.4121 14.9667 16.7969 18.0576 19.8041 20.9702
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.1250 0.9375 ( 1816 PWs) bands (ev):
|
|
|
|
-7.3009 -7.1620 -7.1559 -7.1389 -7.1115 -2.7612 1.0549 4.3179
|
|
4.8641 9.9446 10.7728 14.8465 16.5685 17.9103 19.9685 20.6645
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.0938 0.9062 ( 1814 PWs) bands (ev):
|
|
|
|
-7.3005 -7.1633 -7.1559 -7.1376 -7.1124 -2.6932 0.9876 4.1164
|
|
4.8861 10.0016 11.2323 14.7333 16.1514 17.7079 19.8838 20.6385
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.0625 0.8750 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2994 -7.1649 -7.1563 -7.1361 -7.1135 -2.6561 0.9601 3.9390
|
|
4.9374 10.0665 11.7437 14.6295 15.6364 17.4923 19.3965 21.0496
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.0312 0.8438 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2979 -7.1667 -7.1570 -7.1344 -7.1147 -2.6531 0.9703 3.8012
|
|
5.0140 10.1462 12.2761 14.5215 15.1158 17.2412 18.9163 21.4506
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250 0.0000 0.8125 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2961 -7.1685 -7.1582 -7.1327 -7.1159 -2.6837 1.0112 3.7157
|
|
5.1134 10.2412 12.7839 14.2906 14.7808 16.9206 18.5341 21.7189
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8125-0.1250 1.0000 ( 1813 PWs) bands (ev):
|
|
|
|
-7.3035 -7.1583 -7.1549 -7.1416 -7.1100 -2.7841 1.0485 4.6358
|
|
4.8138 9.6903 10.0650 15.5936 17.0296 18.2662 19.9470 20.9489
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7812-0.0938 0.9688 ( 1816 PWs) bands (ev):
|
|
|
|
-7.3035 -7.1593 -7.1547 -7.1406 -7.1106 -2.7049 0.9646 4.4720
|
|
4.7667 9.8374 10.2988 15.4721 16.7784 18.2522 19.9826 20.7881
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.0625 0.9375 ( 1811 PWs) bands (ev):
|
|
|
|
-7.3029 -7.1607 -7.1547 -7.1394 -7.1114 -2.6492 0.9168 4.2673
|
|
4.7848 9.9072 10.7068 15.3498 16.3109 18.1505 19.9399 20.6909
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.0312 0.9062 ( 1813 PWs) bands (ev):
|
|
|
|
-7.3017 -7.1625 -7.1551 -7.1379 -7.1124 -2.6213 0.9055 4.0729
|
|
4.8361 9.9724 11.1964 15.2260 15.7592 17.9506 19.5724 20.9613
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875 0.0000 0.8750 ( 1815 PWs) bands (ev):
|
|
|
|
-7.3000 -7.1646 -7.1558 -7.1362 -7.1135 -2.6230 0.9264 3.9120
|
|
4.9136 10.0513 11.7296 15.0207 15.2743 17.6466 19.1951 21.2570
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8125-0.0625 1.0000 ( 1805 PWs) bands (ev):
|
|
|
|
-7.3057 -7.1569 -7.1538 -7.1421 -7.1097 -2.6609 0.8854 4.6165
|
|
4.7178 9.6963 9.9468 16.0950 16.9321 18.4851 20.0252 20.8932
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7812-0.0312 0.9688 ( 1806 PWs) bands (ev):
|
|
|
|
-7.3050 -7.1584 -7.1539 -7.1409 -7.1104 -2.6227 0.8596 4.4496
|
|
4.7077 9.8257 10.2378 15.9667 16.4531 18.4922 19.9700 20.8296
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500 0.0000 0.9375 ( 1811 PWs) bands (ev):
|
|
|
|
-7.3036 -7.1603 -7.1543 -7.1395 -7.1114 -2.6094 0.8684 4.2504
|
|
4.7583 9.8947 10.6844 15.7688 15.9462 18.3063 19.7940 20.8515
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1875-1.0000 0.0000 ( 1800 PWs) bands (ev):
|
|
|
|
-7.3064 -7.1564 -7.1534 -7.1422 -7.1096 -2.6169 0.8280 4.6193
|
|
4.6764 9.7070 9.8984 16.5077 16.6270 18.6153 20.0065 21.0555
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.5000 0.0000 ( 1833 PWs) bands (ev):
|
|
|
|
-7.2646 -7.1798 -7.1770 -7.1295 -7.1160 -4.0105 2.9104 5.1965
|
|
6.2962 10.6397 11.1193 12.9624 13.9365 16.0867 18.5950 19.0961
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.5312-0.0312 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2693 -7.1785 -7.1750 -7.1295 -7.1158 -3.8574 2.6003 4.9736
|
|
6.1881 10.7204 11.2828 12.8687 14.1501 16.3022 18.8184 19.4022
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.5625-0.0625 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2736 -7.1775 -7.1732 -7.1293 -7.1158 -3.6975 2.2867 4.7926
|
|
6.0732 10.7265 11.5123 12.8331 14.3148 16.5698 18.8243 19.8137
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3438 0.5938-0.0938 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2774 -7.1768 -7.1716 -7.1288 -7.1159 -3.5362 1.9822 4.6500
|
|
5.9610 10.7052 11.7036 12.9123 14.4321 16.8807 18.6801 20.1199
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.3750 0.8750 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2807 -7.1762 -7.1703 -7.1281 -7.1162 -3.3811 1.7008 4.5413
|
|
5.8594 10.6784 11.7946 13.1346 14.5252 17.1526 18.4995 19.9660
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.3438 0.8438 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2833 -7.1759 -7.1692 -7.1273 -7.1165 -3.2417 1.4576 4.4620
|
|
5.7743 10.6544 11.8080 13.4405 14.6352 17.1634 18.5179 19.7377
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.3125 0.8125 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2851 -7.1757 -7.1684 -7.1264 -7.1169 -3.1292 1.2683 4.4083
|
|
5.7104 10.6363 11.7912 13.7212 14.8204 16.8365 18.8392 19.5988
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.2812 0.7812 ( 1811 PWs) bands (ev):
|
|
|
|
-7.2863 -7.1756 -7.1679 -7.1258 -7.1173 -3.0554 1.1472 4.3772
|
|
5.6707 10.6252 11.7730 13.8906 15.1059 16.4030 19.2063 19.6199
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.2500 0.7500 ( 1808 PWs) bands (ev):
|
|
|
|
-7.2867 -7.1755 -7.1678 -7.1256 -7.1174 -3.0296 1.1055 4.3671
|
|
5.6572 10.6215 11.7658 13.9418 15.3069 16.1506 19.3055 19.8346
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.5625 0.0000 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2729 -7.1762 -7.1727 -7.1315 -7.1148 -3.8009 2.5437 4.9879
|
|
5.9693 10.5553 11.1564 12.9692 14.5345 16.4744 19.1294 19.5423
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.5938-0.0312 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2769 -7.1753 -7.1707 -7.1315 -7.1148 -3.6464 2.2641 4.7783
|
|
5.8588 10.6807 11.3045 12.8572 14.7520 16.7137 19.1969 19.8934
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.6250-0.0625 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2804 -7.1747 -7.1690 -7.1311 -7.1149 -3.4891 1.9879 4.6038
|
|
5.7483 10.7262 11.5527 12.7910 14.8954 16.9943 19.0157 20.2885
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.3438 0.9062 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2833 -7.1743 -7.1676 -7.1305 -7.1152 -3.3356 1.7271 4.4620
|
|
5.6481 10.7356 11.7923 12.8321 14.9753 17.2398 18.7672 20.3755
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.3125 0.8750 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2856 -7.1742 -7.1665 -7.1297 -7.1156 -3.1947 1.4952 4.3496
|
|
5.5657 10.7383 11.9169 13.0483 15.0173 17.2310 18.7298 20.2369
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.2812 0.8438 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2873 -7.1741 -7.1657 -7.1288 -7.1162 -3.0768 1.3070 4.2635
|
|
5.5066 10.7455 11.9340 13.4002 15.0517 16.8831 19.0276 20.1202
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.2500 0.8125 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2883 -7.1742 -7.1652 -7.1279 -7.1168 -2.9931 1.1769 4.2016
|
|
5.4741 10.7606 11.9098 13.7695 15.1190 16.4061 19.4434 20.0720
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.2188 0.7812 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2887 -7.1743 -7.1651 -7.1273 -7.1172 -2.9534 1.1167 4.1630
|
|
5.4700 10.7837 11.8818 14.0148 15.2698 15.9704 19.5866 20.1643
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.1875 0.7500 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2884 -7.1745 -7.1653 -7.1270 -7.1175 -2.9631 1.1324 4.1480
|
|
5.4943 10.8134 11.8648 14.0158 15.3347 15.8866 19.2390 20.0987
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.1562 0.7188 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2874 -7.1747 -7.1658 -7.1272 -7.1174 -3.0207 1.2220 4.1586
|
|
5.5455 10.8477 11.8623 13.7828 15.1713 16.2793 18.7589 20.1167
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.1250 0.6875 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2857 -7.1750 -7.1667 -7.1277 -7.1171 -3.1188 1.3760 4.1977
|
|
5.6211 10.8838 11.8675 13.4248 15.0444 16.7253 18.3509 20.1924
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.0938 0.6562 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2835 -7.1753 -7.1678 -7.1283 -7.1167 -3.2468 1.5806 4.2693
|
|
5.7174 10.9189 11.8556 13.0613 14.9425 16.9571 18.2200 20.3050
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750-0.0625 0.6250 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2807 -7.1758 -7.1693 -7.1289 -7.1163 -3.3934 1.8197 4.3784
|
|
5.8295 10.9473 11.7721 12.8004 14.8236 16.8382 18.4711 20.3877
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3438-0.0312 0.5938 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2773 -7.1765 -7.1711 -7.1294 -7.1160 -3.5490 2.0780 4.5298
|
|
5.9510 10.9546 11.5828 12.7120 14.6557 16.6133 18.8068 20.1800
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3125 0.0000 0.5625 ( 1826 PWs) bands (ev):
|
|
|
|
-7.2735 -7.1773 -7.1730 -7.1296 -7.1158 -3.7056 2.3417 4.7277
|
|
6.0740 10.8960 11.3793 12.7577 14.4264 16.4295 18.9751 19.7539
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.6250 0.0000 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2806 -7.1726 -7.1683 -7.1335 -7.1137 -3.5799 2.1902 4.8092
|
|
5.6574 10.4338 11.1045 13.1506 15.1359 16.9037 19.5108 20.0108
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2812 0.6562-0.0312 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2838 -7.1721 -7.1665 -7.1333 -7.1139 -3.4280 1.9439 4.6141
|
|
5.5461 10.5830 11.2628 13.0296 15.3503 17.1307 19.3085 20.4322
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.3125 0.9375 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2864 -7.1719 -7.1651 -7.1328 -7.1142 -3.2782 1.7085 4.4450
|
|
5.4445 10.6513 11.5522 12.9336 15.4658 17.3367 19.0096 20.7759
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.2812 0.9062 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2884 -7.1719 -7.1639 -7.1320 -7.1147 -3.1384 1.4953 4.3009
|
|
5.3622 10.6825 11.8809 12.9049 15.5014 17.3191 18.9264 20.8003
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.2500 0.8750 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2898 -7.1721 -7.1631 -7.1311 -7.1153 -3.0182 1.3171 4.1811
|
|
5.3059 10.7089 12.1168 13.0336 15.4802 16.9858 19.1953 20.6909
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.2188 0.8438 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2906 -7.1724 -7.1626 -7.1301 -7.1160 -2.9280 1.1871 4.0855
|
|
5.2790 10.7425 12.1898 13.3573 15.4107 16.5392 19.6161 20.4891
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.1875 0.8125 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2909 -7.1728 -7.1625 -7.1292 -7.1168 -2.8776 1.1167 4.0154
|
|
5.2824 10.7867 12.1790 13.7386 15.2968 16.1554 19.7205 20.4238
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.1562 0.7812 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2905 -7.1732 -7.1627 -7.1285 -7.1173 -2.8733 1.1127 3.9729
|
|
5.3155 10.8412 12.1495 13.9491 15.2413 15.9358 19.2566 20.6586
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.1250 0.7500 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2896 -7.1736 -7.1633 -7.1282 -7.1176 -2.9155 1.1746 3.9614
|
|
5.3762 10.9034 12.1238 13.7856 15.3818 15.9288 18.7326 20.7140
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.0938 0.7188 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2881 -7.1740 -7.1643 -7.1282 -7.1176 -2.9987 1.2946 3.9851
|
|
5.4615 10.9685 12.1048 13.4084 15.4392 16.2251 18.2721 20.7760
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.0625 0.6875 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2861 -7.1745 -7.1655 -7.1285 -7.1173 -3.1137 1.4597 4.0491
|
|
5.5673 11.0290 12.0748 13.0125 15.3626 16.6045 17.9913 20.8494
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.0312 0.6562 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2836 -7.1750 -7.1671 -7.1289 -7.1168 -3.2499 1.6546 4.1585
|
|
5.6888 11.0717 11.9735 12.7316 15.2045 16.7519 18.0830 20.8760
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.0000 0.6250 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2807 -7.1756 -7.1690 -7.1292 -7.1164 -3.3977 1.8647 4.3180
|
|
5.8194 11.0670 11.7650 12.6530 14.9642 16.6891 18.4648 20.6231
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.6875 0.0000 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2874 -7.1693 -7.1642 -7.1354 -7.1129 -3.3542 1.8547 4.6629
|
|
5.3709 10.3239 10.9657 13.4759 15.7246 17.3207 19.5732 20.5319
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.2812 0.9688 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2898 -7.1692 -7.1627 -7.1350 -7.1132 -3.2101 1.6450 4.4832
|
|
5.2620 10.4851 11.1477 13.3519 15.9191 17.4602 19.2420 20.9510
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.2500 0.9375 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2915 -7.1693 -7.1615 -7.1343 -7.1137 -3.0741 1.4540 4.3176
|
|
5.1751 10.5612 11.4816 13.2417 15.9779 17.4370 19.1154 21.2320
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.2188 0.9062 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2927 -7.1697 -7.1607 -7.1334 -7.1144 -2.9548 1.2921 4.1684
|
|
5.1182 10.6051 11.8851 13.1671 15.9114 17.1596 19.3429 21.0391
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.1875 0.8750 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2932 -7.1703 -7.1602 -7.1323 -7.1152 -2.8619 1.1702 4.0396
|
|
5.0944 10.6488 12.2614 13.1811 15.7086 16.8168 19.7505 20.5854
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.1562 0.8438 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2933 -7.1709 -7.1601 -7.1312 -7.1160 -2.8046 1.0983 3.9362
|
|
5.1035 10.7025 12.4792 13.3787 15.3720 16.5632 19.8020 20.4963
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.1250 0.8125 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2928 -7.1716 -7.1604 -7.1302 -7.1169 -2.7895 1.0824 3.8636
|
|
5.1437 10.7687 12.5299 13.6820 15.0306 16.4018 19.2902 20.9580
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.0938 0.7812 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2918 -7.1723 -7.1610 -7.1294 -7.1175 -2.8182 1.1226 3.8274
|
|
5.2122 10.8457 12.5195 13.7219 15.0037 16.2846 18.7532 21.2790
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.0625 0.7500 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2903 -7.1730 -7.1621 -7.1289 -7.1178 -2.8870 1.2125 3.8335
|
|
5.3055 10.9293 12.4946 13.3919 15.3559 16.1907 18.2834 21.3753
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.0312 0.7188 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2885 -7.1736 -7.1634 -7.1287 -7.1177 -2.9881 1.3401 3.8876
|
|
5.4196 11.0103 12.4459 12.9895 15.6435 16.2294 17.9509 21.4262
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375 0.0000 0.6875 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2862 -7.1743 -7.1651 -7.1288 -7.1173 -3.1121 1.4917 3.9948
|
|
5.5494 11.0710 12.2682 12.7498 15.5202 16.5326 17.8576 21.3450
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.2500 1.0000 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2932 -7.1663 -7.1606 -7.1370 -7.1122 -3.1329 1.5450 4.5514
|
|
5.1175 10.2386 10.7946 13.8881 16.2663 17.6451 19.4798 20.9850
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.2188 0.9688 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2947 -7.1665 -7.1594 -7.1364 -7.1127 -3.0035 1.3760 4.3871
|
|
5.0152 10.4042 11.0098 13.7633 16.3795 17.6048 19.3097 21.2396
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.1875 0.9375 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2956 -7.1671 -7.1586 -7.1355 -7.1133 -2.8887 1.2331 4.2222
|
|
4.9510 10.4805 11.3884 13.6483 16.2611 17.4277 19.4743 21.0771
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.1562 0.9062 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2959 -7.1679 -7.1582 -7.1344 -7.1142 -2.7973 1.1250 4.0662
|
|
4.9268 10.5338 11.8419 13.5554 15.9252 17.2285 19.8444 20.6307
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.1250 0.8750 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2957 -7.1688 -7.1581 -7.1332 -7.1151 -2.7377 1.0591 3.9309
|
|
4.9398 10.5922 12.3048 13.5057 15.4566 17.0710 19.8648 20.5520
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.0938 0.8438 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2950 -7.1698 -7.1584 -7.1320 -7.1161 -2.7159 1.0398 3.8268
|
|
4.9857 10.6631 12.6876 13.5410 14.9730 16.9336 19.3484 21.0238
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.0625 0.8125 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2939 -7.1709 -7.1591 -7.1308 -7.1170 -2.7343 1.0664 3.7631
|
|
5.0606 10.7467 12.8813 13.6088 14.6762 16.7841 18.8260 21.4701
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.0312 0.7812 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2924 -7.1718 -7.1602 -7.1298 -7.1176 -2.7902 1.1325 3.7478
|
|
5.1608 10.8395 12.9281 13.3752 14.8720 16.5901 18.3877 21.7245
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.0000 0.7500 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2906 -7.1728 -7.1616 -7.1291 -7.1179 -2.8775 1.2277 3.7877
|
|
5.2820 10.9334 12.8456 13.0283 15.3405 16.3385 18.0869 21.7561
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.1875 1.0000 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2979 -7.1637 -7.1577 -7.1383 -7.1117 -2.9291 1.2730 4.4765
|
|
4.9024 10.1819 10.6283 14.3504 16.6529 17.8290 19.5321 21.1762
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.1562 0.9688 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2986 -7.1643 -7.1570 -7.1375 -7.1123 -2.8227 1.1496 4.3260
|
|
4.8133 10.3452 10.8849 14.2258 16.5025 17.7656 19.6076 21.0876
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.1250 0.9375 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2986 -7.1653 -7.1566 -7.1364 -7.1132 -2.7374 1.0584 4.1579
|
|
4.7814 10.4190 11.3073 14.1097 16.0830 17.7012 19.8964 20.6995
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.0938 0.9062 ( 1812 PWs) bands (ev):
|
|
|
|
-7.2982 -7.1665 -7.1565 -7.1351 -7.1141 -2.6804 1.0042 3.9964
|
|
4.7957 10.4816 11.7972 14.0087 15.5490 17.6060 19.9117 20.6054
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.0625 0.8750 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2972 -7.1679 -7.1568 -7.1338 -7.1152 -2.6572 0.9892 3.8618
|
|
4.8462 10.5542 12.3046 13.9250 15.0010 17.4691 19.4402 21.0228
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.0312 0.8438 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2959 -7.1692 -7.1575 -7.1324 -7.1162 -2.6695 1.0108 3.7686
|
|
4.9268 10.6404 12.7690 13.8210 14.5632 17.2690 18.9707 21.4307
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625 0.0000 0.8125 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2943 -7.1706 -7.1587 -7.1310 -7.1170 -2.7155 1.0620 3.7278
|
|
5.0330 10.7378 13.0687 13.5481 14.5175 16.9759 18.6103 21.6852
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.1250 1.0000 ( 1817 PWs) bands (ev):
|
|
|
|
-7.3012 -7.1617 -7.1557 -7.1392 -7.1114 -2.7601 1.0554 4.4392
|
|
4.7294 10.1547 10.4870 14.8421 16.6642 18.0761 19.7775 21.0164
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.0938 0.9688 ( 1819 PWs) bands (ev):
|
|
|
|
-7.3011 -7.1628 -7.1554 -7.1381 -7.1121 -2.6856 0.9827 4.2970
|
|
4.6643 10.3082 10.7922 14.7178 16.2149 18.1421 19.9237 20.7952
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.0625 0.9375 ( 1815 PWs) bands (ev):
|
|
|
|
-7.3005 -7.1642 -7.1553 -7.1369 -7.1131 -2.6369 0.9446 4.1220
|
|
4.6749 10.3809 11.2544 14.5992 15.6518 18.1085 19.9323 20.6852
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.0312 0.9062 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2993 -7.1658 -7.1557 -7.1355 -7.1141 -2.6177 0.9403 3.9609
|
|
4.7292 10.4544 11.7714 14.4782 15.0793 17.9558 19.5787 20.9658
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250 0.0000 0.8750 ( 1809 PWs) bands (ev):
|
|
|
|
-7.2977 -7.1675 -7.1564 -7.1339 -7.1152 -2.6292 0.9653 3.8380
|
|
4.8150 10.5410 12.3010 14.2527 14.6551 17.6749 19.2194 21.2593
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500-0.0625 1.0000 ( 1813 PWs) bands (ev):
|
|
|
|
-7.3033 -7.1604 -7.1545 -7.1396 -7.1112 -2.6462 0.9123 4.4382
|
|
4.6030 10.1520 10.3854 15.3461 16.3364 18.4402 19.9563 20.8751
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7188-0.0312 0.9688 ( 1813 PWs) bands (ev):
|
|
|
|
-7.3025 -7.1619 -7.1546 -7.1384 -7.1121 -2.6109 0.8932 4.2904
|
|
4.5811 10.2908 10.7430 15.2139 15.7688 18.4935 19.9238 20.8380
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875 0.0000 0.9375 ( 1814 PWs) bands (ev):
|
|
|
|
-7.3011 -7.1638 -7.1549 -7.1370 -7.1130 -2.6015 0.9048 4.1107
|
|
4.6384 10.3680 11.2361 14.9992 15.2592 18.3221 19.7662 20.8738
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500-1.0000 0.0000 ( 1810 PWs) bands (ev):
|
|
|
|
-7.3040 -7.1599 -7.1541 -7.1398 -7.1112 -2.6056 0.8620 4.4535
|
|
4.5451 10.1570 10.3453 15.7655 15.9561 18.6366 19.9263 21.0429
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125 0.6250 0.0000 ( 1829 PWs) bands (ev):
|
|
|
|
-7.2804 -7.1745 -7.1687 -7.1314 -7.1149 -3.4954 2.0315 4.5573
|
|
5.7381 10.9130 11.3720 12.7342 15.0563 16.8316 19.0578 20.3134
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.3438 0.9688 ( 1825 PWs) bands (ev):
|
|
|
|
-7.2834 -7.1740 -7.1669 -7.1311 -7.1152 -3.3439 1.8011 4.3770
|
|
5.6156 11.0272 11.5754 12.6614 15.2814 16.9772 18.7092 20.7066
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.3125 0.9375 ( 1828 PWs) bands (ev):
|
|
|
|
-7.2859 -7.1737 -7.1654 -7.1305 -7.1157 -3.1989 1.5836 4.2366
|
|
5.5019 11.0553 11.8050 12.7128 15.4137 17.0306 18.4525 20.8076
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.2812 0.9062 ( 1824 PWs) bands (ev):
|
|
|
|
-7.2879 -7.1735 -7.1642 -7.1299 -7.1162 -3.0693 1.3919 4.1330
|
|
5.4054 11.0611 11.9089 12.9670 15.4671 16.7928 18.5594 20.7405
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.2500 0.8750 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2893 -7.1734 -7.1633 -7.1292 -7.1167 -2.9654 1.2404 4.0625
|
|
5.3321 11.0630 11.9138 13.3582 15.4503 16.3855 18.9470 20.6612
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.2188 0.8438 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2902 -7.1734 -7.1628 -7.1287 -7.1171 -2.8976 1.1426 4.0218
|
|
5.2864 11.0644 11.8954 13.7496 15.3449 16.0583 19.4294 20.5597
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.1875 0.8125 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2905 -7.1734 -7.1626 -7.1285 -7.1173 -2.8740 1.1088 4.0085
|
|
5.2709 11.0650 11.8866 13.9405 15.2452 15.9508 19.7556 20.3695
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.3125 1.0000 ( 1827 PWs) bands (ev):
|
|
|
|
-7.2865 -7.1717 -7.1647 -7.1331 -7.1142 -3.2823 1.7402 4.4216
|
|
5.4185 10.8471 11.3310 12.9007 15.6683 17.1768 18.9625 20.8786
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.2812 0.9688 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2887 -7.1716 -7.1631 -7.1327 -7.1146 -3.1413 1.5467 4.2604
|
|
5.2987 10.9959 11.5630 12.7992 15.8601 17.1508 18.7019 21.2165
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.2500 0.9375 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2904 -7.1716 -7.1619 -7.1320 -7.1153 -3.0131 1.3735 4.1301
|
|
5.1979 11.0512 11.8804 12.7756 15.8889 16.9409 18.7715 21.2957
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.2188 0.9062 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2916 -7.1718 -7.1610 -7.1312 -7.1159 -2.9069 1.2323 4.0291
|
|
5.1239 11.0865 12.0870 12.9405 15.7164 16.6717 19.1238 21.1424
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.1875 0.8750 ( 1823 PWs) bands (ev):
|
|
|
|
-7.2922 -7.1720 -7.1605 -7.1305 -7.1165 -2.8325 1.1350 3.9563
|
|
5.0818 11.1236 12.1265 13.3022 15.3564 16.5102 19.5929 20.7034
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.1562 0.8438 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2924 -7.1722 -7.1604 -7.1299 -7.1170 -2.7981 1.0911 3.9115
|
|
5.0737 11.1657 12.1040 13.6598 14.9965 16.4341 19.8603 20.4269
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.1250 0.8125 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2920 -7.1724 -7.1606 -7.1296 -7.1172 -2.8078 1.1050 3.8960
|
|
5.0996 11.2107 12.0769 13.6795 14.9853 16.3964 19.4336 20.8341
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.0938 0.7812 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2912 -7.1726 -7.1612 -7.1297 -7.1171 -2.8604 1.1746 3.9127
|
|
5.1575 11.2534 12.0585 13.3287 15.3478 16.3895 18.9246 21.2004
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375-0.0625 0.7500 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2899 -7.1729 -7.1621 -7.1300 -7.1168 -2.9495 1.2913 3.9654
|
|
5.2439 11.2865 12.0309 12.9183 15.7040 16.4673 18.4995 21.3020
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4062-0.0312 0.7188 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2882 -7.1731 -7.1634 -7.1304 -7.1163 -3.0661 1.4430 4.0582
|
|
5.3537 11.2972 11.9197 12.6383 15.7780 16.7063 18.2688 21.3266
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.0000 0.6875 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2860 -7.1735 -7.1650 -7.1308 -7.1157 -3.2005 1.6168 4.1948
|
|
5.4804 11.2408 11.7025 12.5841 15.5996 16.9096 18.3613 21.1470
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.2500 1.0000 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2917 -7.1691 -7.1611 -7.1346 -7.1136 -3.0755 1.4741 4.3233
|
|
5.1271 10.7756 11.2237 13.2220 16.1956 17.3450 18.9812 21.3196
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.2188 0.9688 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2931 -7.1693 -7.1599 -7.1340 -7.1142 -2.9516 1.3212 4.1820
|
|
5.0135 10.9369 11.4942 13.1075 16.2034 17.1934 18.9989 21.4661
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.1875 0.9375 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2940 -7.1697 -7.1591 -7.1332 -7.1150 -2.8470 1.1953 4.0594
|
|
4.9328 11.0035 11.8910 13.0333 15.8877 17.1007 19.2906 21.2023
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.1562 0.9062 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2944 -7.1702 -7.1586 -7.1323 -7.1158 -2.7702 1.1057 3.9573
|
|
4.8907 11.0567 12.2514 13.0652 15.4005 17.0478 19.7244 20.7225
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.1250 0.8750 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2944 -7.1708 -7.1584 -7.1315 -7.1165 -2.7291 1.0600 3.8798
|
|
4.8883 11.1161 12.4218 13.2955 14.9013 16.9958 19.9254 20.4879
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.0938 0.8438 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2939 -7.1713 -7.1587 -7.1308 -7.1170 -2.7282 1.0619 3.8324
|
|
4.9236 11.1838 12.4412 13.5096 14.6087 16.9301 19.4618 20.9332
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.0625 0.8125 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2930 -7.1718 -7.1593 -7.1303 -7.1173 -2.7673 1.1096 3.8212
|
|
4.9930 11.2561 12.4170 13.2983 14.8391 16.8354 18.9597 21.3974
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.0312 0.7812 ( 1821 PWs) bands (ev):
|
|
|
|
-7.2918 -7.1722 -7.1603 -7.1302 -7.1172 -2.8419 1.1961 3.8522
|
|
5.0916 11.3228 12.3646 12.9009 15.3331 16.6930 18.5521 21.6532
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375 0.0000 0.7500 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2902 -7.1727 -7.1617 -7.1303 -7.1168 -2.9444 1.3109 3.9301
|
|
5.2141 11.3597 12.1851 12.6542 15.7824 16.5456 18.3069 21.6527
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.1875 1.0000 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2959 -7.1669 -7.1583 -7.1358 -7.1132 -2.8873 1.2426 4.2645
|
|
4.8726 10.7220 11.0949 13.6340 16.3922 17.5045 19.2684 21.3770
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.1562 0.9688 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2965 -7.1675 -7.1575 -7.1350 -7.1140 -2.7880 1.1341 4.1425
|
|
4.7709 10.8839 11.4079 13.5158 16.0094 17.5586 19.4625 21.1829
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.1250 0.9375 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2967 -7.1682 -7.1570 -7.1340 -7.1148 -2.7136 1.0572 4.0224
|
|
4.7211 10.9551 11.8585 13.4217 15.4680 17.5934 19.8181 20.7555
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.0938 0.9062 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2964 -7.1691 -7.1569 -7.1330 -7.1157 -2.6706 1.0170 3.9149
|
|
4.7218 11.0215 12.3157 13.3733 14.9060 17.5653 19.9565 20.5634
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.0625 0.8750 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2957 -7.1700 -7.1572 -7.1320 -7.1165 -2.6633 1.0152 3.8337
|
|
4.7659 11.0969 12.6627 13.3921 14.4405 17.4769 19.5215 20.9689
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.0312 0.8438 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2946 -7.1708 -7.1578 -7.1312 -7.1170 -2.6921 1.0493 3.7906
|
|
4.8463 11.1805 12.8009 13.2757 14.3841 17.3125 19.0696 21.3861
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.0000 0.8125 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2933 -7.1716 -7.1589 -7.1306 -7.1173 -2.7536 1.1125 3.7948
|
|
4.9569 11.2638 12.7424 12.9587 14.7954 17.0450 18.7358 21.6335
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.1250 1.0000 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2990 -7.1651 -7.1562 -7.1367 -7.1130 -2.7331 1.0591 4.2464
|
|
4.6617 10.6924 10.9780 14.0976 16.1149 17.9351 19.6739 21.0727
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.0938 0.9688 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2988 -7.1661 -7.1558 -7.1357 -7.1139 -2.6658 0.9980 4.1388
|
|
4.5820 10.8467 11.3377 13.9786 15.5536 18.0809 19.8796 20.8147
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.0625 0.9375 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2983 -7.1672 -7.1558 -7.1345 -7.1148 -2.6263 0.9688 4.0112
|
|
4.5795 10.9221 11.8270 13.8722 14.9633 18.0939 19.9497 20.6709
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.0312 0.9062 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2973 -7.1685 -7.1561 -7.1334 -7.1157 -2.6178 0.9710 3.8965
|
|
4.6322 11.0006 12.3275 13.7598 14.4348 17.9736 19.6252 20.9466
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625 0.0000 0.8750 ( 1822 PWs) bands (ev):
|
|
|
|
-7.2961 -7.1697 -7.1568 -7.1322 -7.1165 -2.6406 1.0003 3.8183
|
|
4.7240 11.0887 12.7447 13.5157 14.1924 17.7112 19.2882 21.2365
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6875-0.0625 1.0000 ( 1816 PWs) bands (ev):
|
|
|
|
-7.3008 -7.1639 -7.1551 -7.1371 -7.1129 -2.6305 0.9395 4.2672
|
|
4.5015 10.6845 10.8930 14.5890 15.6539 18.4152 19.9272 20.8666
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6562-0.0312 0.9688 ( 1815 PWs) bands (ev):
|
|
|
|
-7.3000 -7.1653 -7.1551 -7.1359 -7.1138 -2.5999 0.9256 4.1555
|
|
4.4677 10.8279 11.2994 14.4567 15.0592 18.5024 19.9113 20.8408
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250 0.0000 0.9375 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2988 -7.1669 -7.1554 -7.1347 -7.1148 -2.5959 0.9383 4.0108
|
|
4.5285 10.9106 11.8149 14.2304 14.5844 18.3430 19.7784 20.8782
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3125-1.0000 0.0000 ( 1810 PWs) bands (ev):
|
|
|
|
-7.3014 -7.1635 -7.1547 -7.1372 -7.1129 -2.5943 0.8977 4.2978
|
|
4.4242 10.6859 10.8600 14.9918 15.2530 18.6590 19.8911 21.0289
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.2500 1.0000 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2906 -7.1714 -7.1615 -7.1323 -7.1152 -3.0115 1.3945 4.1119
|
|
5.1599 11.2961 11.6625 12.6969 16.0633 16.9194 18.5974 21.5350
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.2188 0.9688 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2920 -7.1714 -7.1602 -7.1318 -7.1159 -2.8967 1.2601 3.9999
|
|
5.0398 11.4137 11.9238 12.6833 15.8430 16.8699 18.7554 21.5847
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.1875 0.9375 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2931 -7.1714 -7.1593 -7.1313 -7.1164 -2.8056 1.1533 3.9226
|
|
4.9474 11.4486 12.1059 12.8841 15.3563 16.9273 19.1185 21.3089
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.1562 0.9062 ( 1819 PWs) bands (ev):
|
|
|
|
-7.2937 -7.1714 -7.1587 -7.1309 -7.1169 -2.7466 1.0842 3.8778
|
|
4.8892 11.4649 12.1402 13.2583 14.8534 16.9655 19.5923 20.8280
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.1250 0.8750 ( 1820 PWs) bands (ev):
|
|
|
|
-7.2939 -7.1715 -7.1586 -7.1308 -7.1170 -2.7261 1.0602 3.8631
|
|
4.8694 11.4704 12.1398 13.4903 14.5864 16.9769 19.9535 20.4586
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.1875 1.0000 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2943 -7.1695 -7.1587 -7.1335 -7.1149 -2.8421 1.2048 4.0719
|
|
4.8708 11.2885 11.5920 12.9923 15.9320 17.2696 19.0675 21.5000
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.1562 0.9688 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2950 -7.1698 -7.1578 -7.1328 -7.1156 -2.7531 1.1120 3.9849
|
|
4.7617 11.4321 11.9193 12.9242 15.4001 17.4417 19.3267 21.2611
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.1250 0.9375 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2953 -7.1702 -7.1573 -7.1322 -7.1163 -2.6922 1.0499 3.9188
|
|
4.6966 11.4922 12.2504 12.9810 14.8336 17.5358 19.7241 20.8252
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.0938 0.9062 ( 1815 PWs) bands (ev):
|
|
|
|
-7.2953 -7.1705 -7.1571 -7.1317 -7.1167 -2.6652 1.0238 3.8740
|
|
4.6805 11.5453 12.3777 13.2085 14.3682 17.5516 19.9898 20.5328
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.0625 0.8750 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2950 -7.1708 -7.1573 -7.1314 -7.1169 -2.6750 1.0358 3.8540
|
|
4.7127 11.5947 12.3786 13.1980 14.3448 17.5001 19.6211 20.8996
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4688-0.0312 0.8438 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2943 -7.1710 -7.1579 -7.1314 -7.1168 -2.7204 1.0835 3.8647
|
|
4.7881 11.6288 12.3185 12.8665 14.7919 17.3677 19.1931 21.3282
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4375 0.0000 0.8125 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2933 -7.1712 -7.1589 -7.1315 -7.1164 -2.7966 1.1608 3.9119
|
|
4.8999 11.6096 12.1169 12.6718 15.3521 17.1342 18.8916 21.5745
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.1250 1.0000 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2970 -7.1680 -7.1566 -7.1343 -7.1147 -2.7056 1.0571 4.0761
|
|
4.6233 11.2748 11.5075 13.3969 15.4681 17.8513 19.5805 21.1197
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.0938 0.9688 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2970 -7.1686 -7.1562 -7.1335 -7.1155 -2.6476 1.0066 4.0107
|
|
4.5339 11.4197 11.8916 13.3041 14.8737 18.0451 19.8272 20.8434
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.0625 0.9375 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2967 -7.1693 -7.1560 -7.1327 -7.1162 -2.6192 0.9855 3.9422
|
|
4.5156 11.4906 12.3292 13.2530 14.3240 18.0904 19.9698 20.6568
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.0312 0.9062 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2962 -7.1700 -7.1563 -7.1321 -7.1166 -2.6228 0.9937 3.8839
|
|
4.5612 11.5600 12.6172 13.1850 14.0236 17.9957 19.6915 20.9146
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.0000 0.8750 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2954 -7.1705 -7.1569 -7.1316 -7.1169 -2.6577 1.0282 3.8539
|
|
4.6561 11.6210 12.6249 12.9414 14.2707 17.7513 19.3809 21.2016
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250-0.0625 1.0000 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2986 -7.1670 -7.1555 -7.1348 -7.1146 -2.6160 0.9622 4.1223
|
|
4.4280 11.2719 11.4393 13.8555 14.9506 18.4021 19.9059 20.8629
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5938-0.0312 0.9688 ( 1813 PWs) bands (ev):
|
|
|
|
-7.2980 -7.1680 -7.1554 -7.1338 -7.1154 -2.5915 0.9515 4.0578
|
|
4.3838 11.4088 11.8704 13.7300 14.3776 18.5120 19.9120 20.8403
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625 0.0000 0.9375 ( 1814 PWs) bands (ev):
|
|
|
|
-7.2972 -7.1690 -7.1556 -7.1329 -7.1161 -2.5940 0.9635 3.9596
|
|
4.4447 11.4868 12.3466 13.4997 14.0086 18.3632 19.8098 20.8738
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750-1.0000 0.0000 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2992 -7.1667 -7.1551 -7.1349 -7.1146 -2.5846 0.9294 4.1718
|
|
4.3282 11.2742 11.4116 14.2230 14.5614 18.6786 19.8774 21.0168
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.1250 1.0000 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2957 -7.1699 -7.1569 -7.1324 -7.1162 -2.6798 1.0472 3.9420
|
|
4.6211 11.7673 12.0488 12.8681 14.8125 17.7958 19.4819 21.1619
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.0938 0.9688 ( 1812 PWs) bands (ev):
|
|
|
|
-7.2961 -7.1700 -7.1563 -7.1321 -7.1166 -2.6329 1.0057 3.9232
|
|
4.5267 11.8546 12.3171 12.9377 14.2659 18.0191 19.7626 20.8782
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000-0.0625 0.9375 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2962 -7.1701 -7.1561 -7.1321 -7.1167 -2.6167 0.9914 3.9187
|
|
4.4931 11.8695 12.4115 13.0746 13.9778 18.0901 19.9782 20.6509
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5625-0.0625 1.0000 ( 1816 PWs) bands (ev):
|
|
|
|
-7.2971 -7.1691 -7.1557 -7.1330 -7.1161 -2.6043 0.9757 4.0174
|
|
4.3918 11.8496 11.9817 13.2107 14.2894 18.3920 19.8799 20.8631
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5312-0.0312 0.9688 ( 1817 PWs) bands (ev):
|
|
|
|
-7.2970 -7.1695 -7.1555 -7.1325 -7.1165 -2.5869 0.9659 4.0065
|
|
4.3393 11.9487 12.3373 13.1286 13.8422 18.5180 19.9150 20.8391
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.0000 0.9375 ( 1818 PWs) bands (ev):
|
|
|
|
-7.2966 -7.1698 -7.1558 -7.1323 -7.1166 -2.5968 0.9766 3.9617
|
|
4.3975 11.9685 12.4808 12.9814 13.8411 18.3798 19.8466 20.8673
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4375-1.0000 0.0000 ( 1812 PWs) bands (ev):
|
|
|
|
-7.2976 -7.1688 -7.1553 -7.1331 -7.1160 -2.5781 0.9513 4.0901
|
|
4.2670 11.8920 11.9372 13.4954 13.9501 18.6920 19.8732 21.0085
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-1.0000 0.0000 ( 1800 PWs) bands (ev):
|
|
|
|
-7.2970 -7.1696 -7.1553 -7.1324 -7.1166 -2.5759 0.9592 4.0618
|
|
4.2460 12.2120 12.3232 13.0275 13.6465 18.6967 19.8724 21.0056
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000
|
|
1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
highest occupied, lowest unoccupied level (ev): 7.6004 8.1064
|
|
|
|
! total energy = -453.96625085 Ry
|
|
Harris-Foulkes estimate = -453.96625086 Ry
|
|
estimated scf accuracy < 7.5E-09 Ry
|
|
|
|
total all-electron energy = -8410.098273 Ry
|
|
|
|
The total energy is the sum of the following terms:
|
|
|
|
one-electron contribution = -120.29268548 Ry
|
|
hartree contribution = 45.06806256 Ry
|
|
xc contribution = -50.87533680 Ry
|
|
ewald contribution = -92.98613402 Ry
|
|
one-center paw contrib. = -234.88015711 Ry
|
|
|
|
convergence has been achieved in 8 iterations
|
|
|
|
Writing output data file GaAs.save
|
|
|
|
init_run : 2.54s CPU 2.64s WALL ( 1 calls)
|
|
electrons : 30.43s CPU 32.16s WALL ( 1 calls)
|
|
|
|
Called by init_run:
|
|
wfcinit : 0.94s CPU 0.98s WALL ( 1 calls)
|
|
potinit : 0.81s CPU 0.82s WALL ( 1 calls)
|
|
|
|
Called by electrons:
|
|
c_bands : 23.99s CPU 25.35s WALL ( 9 calls)
|
|
sum_band : 5.03s CPU 5.18s WALL ( 9 calls)
|
|
v_of_rho : 0.36s CPU 0.37s WALL ( 9 calls)
|
|
v_h : 0.02s CPU 0.02s WALL ( 9 calls)
|
|
v_xc : 0.34s CPU 0.34s WALL ( 9 calls)
|
|
newd : 0.72s CPU 0.73s WALL ( 9 calls)
|
|
mix_rho : 0.04s CPU 0.04s WALL ( 9 calls)
|
|
|
|
Called by c_bands:
|
|
init_us_2 : 0.35s CPU 0.43s WALL ( 2147 calls)
|
|
cegterg : 21.56s CPU 22.22s WALL ( 1017 calls)
|
|
|
|
Called by sum_band:
|
|
sum_band:bec : 0.01s CPU 0.01s WALL ( 1017 calls)
|
|
addusdens : 0.49s CPU 0.50s WALL ( 9 calls)
|
|
|
|
Called by *egterg:
|
|
h_psi : 18.92s CPU 19.57s WALL ( 3216 calls)
|
|
s_psi : 0.26s CPU 0.28s WALL ( 3216 calls)
|
|
g_psi : 0.11s CPU 0.10s WALL ( 2086 calls)
|
|
cdiaghg : 1.34s CPU 1.33s WALL ( 2990 calls)
|
|
cegterg:over : 0.51s CPU 0.51s WALL ( 2086 calls)
|
|
cegterg:upda : 0.28s CPU 0.32s WALL ( 2086 calls)
|
|
cegterg:last : 0.18s CPU 0.19s WALL ( 1017 calls)
|
|
|
|
Called by h_psi:
|
|
h_psi:vloc : 18.16s CPU 18.80s WALL ( 3216 calls)
|
|
h_psi:vnl : 0.70s CPU 0.72s WALL ( 3216 calls)
|
|
add_vuspsi : 0.27s CPU 0.28s WALL ( 3216 calls)
|
|
|
|
General routines
|
|
calbec : 0.52s CPU 0.57s WALL ( 4233 calls)
|
|
fft : 0.25s CPU 0.26s WALL ( 144 calls)
|
|
ffts : 0.01s CPU 0.01s WALL ( 18 calls)
|
|
fftw : 18.59s CPU 19.35s WALL ( 94540 calls)
|
|
interpolate : 0.05s CPU 0.05s WALL ( 18 calls)
|
|
davcio : 0.00s CPU 0.13s WALL ( 113 calls)
|
|
|
|
Parallel routines
|
|
fft_scatter : 3.45s CPU 4.24s WALL ( 94702 calls)
|
|
|
|
PAW routines
|
|
PAW_pot : 0.38s CPU 0.39s WALL ( 9 calls)
|
|
PAW_symme : 0.01s CPU 0.01s WALL ( 18 calls)
|
|
|
|
PWSCF : 34.85s CPU 52.84s WALL
|
|
|
|
|
|
This run was terminated on: 13:57:32 15Nov2015
|
|
|
|
=------------------------------------------------------------------------------=
|
|
JOB DONE.
|
|
=------------------------------------------------------------------------------=
|