mirror of https://gitlab.com/QEF/q-e.git
4812 lines
188 KiB
Plaintext
4812 lines
188 KiB
Plaintext
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Program PHONON v.4.3.2 starts on 16Sep2011 at 15:35:44
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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.php
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Parallel version (MPI), running on 2 processors
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R & G space division: proc/pool = 2
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Ultrasoft (Vanderbilt) Pseudopotentials
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Info: using nr1, nr2, nr3 values from input
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Info: using nr1s, nr2s, nr3s values from input
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IMPORTANT: XC functional enforced from input :
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Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0)
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EXX-fraction = 0.00
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Any further DFT definition will be discarded
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Please, verify this is what you really want
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ATT1.1.6
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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 248 248 72 4192 4192 682
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Max 249 249 73 4193 4193 683
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Sum 497 497 145 8385 8385 1365
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IMPORTANT: XC functional enforced from input :
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Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0)
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EXX-fraction = 0.00
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Any further DFT definition will be discarded
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Please, verify this is what you really want
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EXX fraction changed: 0.00
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EXX Screening parameter changed: 0.0000000
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Calculation of q = 0.0000000 0.0000000 0.0000000
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bravais-lattice index = 8
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lattice parameter (alat) = 10.2600 a.u.
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unit-cell volume = 1080.0456 (a.u.)^3
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number of atoms/cell = 8
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number of atomic types = 1
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kinetic-energy cut-off = 15.0000 Ry
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charge density cut-off = 60.0000 Ry
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convergence threshold = 1.0E-04
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beta = 0.7000
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number of iterations used = 4
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Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0)
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EXX-fraction = 0.00
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celldm(1)= 10.26000 celldm(2)= 1.00000 celldm(3)= 1.00000
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celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000
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crystal axes: (cart. coord. in units of alat)
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a(1) = ( 1.0000 0.0000 0.0000 )
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a(2) = ( 0.0000 1.0000 0.0000 )
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a(3) = ( 0.0000 0.0000 1.0000 )
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reciprocal axes: (cart. coord. in units 2 pi/alat)
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b(1) = ( 1.0000 0.0000 0.0000 )
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b(2) = ( 0.0000 1.0000 0.0000 )
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b(3) = ( 0.0000 0.0000 1.0000 )
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Atoms inside the unit cell:
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Cartesian axes
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site n. atom mass positions (alat units)
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1 Si 1.0000 tau( 1) = ( 0.00000 0.00000 0.00000 )
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2 Si 1.0000 tau( 2) = ( 0.50000 0.50000 0.00000 )
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3 Si 1.0000 tau( 3) = ( 0.00000 0.50000 0.50000 )
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4 Si 1.0000 tau( 4) = ( 0.50000 0.00000 0.50000 )
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5 Si 1.0000 tau( 5) = ( 0.25000 0.25000 0.25000 )
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6 Si 1.0000 tau( 6) = ( 0.75000 0.75000 0.25000 )
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7 Si 1.0000 tau( 7) = ( 0.75000 0.25000 0.75000 )
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8 Si 1.0000 tau( 8) = ( 0.25000 0.75000 0.75000 )
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Computing dynamical matrix for
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q = ( 0.0000000 0.0000000 0.0000000 )
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25 Sym.Ops. (with q -> -q+G )
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G cutoff = 159.9876 ( 4192 G-vectors) FFT grid: ( 25, 25, 25)
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number of k points= 4
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cart. coord. in units 2pi/alat
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k( 1) = ( 0.1250000 0.1250000 0.1250000), wk = 0.2500000
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k( 2) = ( 0.1250000 0.1250000 0.3750000), wk = 0.7500000
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k( 3) = ( 0.1250000 0.3750000 0.3750000), wk = 0.7500000
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k( 4) = ( 0.3750000 0.3750000 0.3750000), wk = 0.2500000
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PseudoPot. # 1 for Si read from file:
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./Si.pz-vbc.UPF
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MD5 check sum: 6dfa03ddd5817404712e03e4d12deb78
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Pseudo is Norm-conserving, Zval = 4.0
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Generated by new atomic code, or converted to UPF format
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Using radial grid of 431 points, 2 beta functions with:
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l(1) = 0
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l(2) = 1
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Atomic displacements:
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There are 24 irreducible representations
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Representation 1 1 modes - To be done
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Representation 2 1 modes - To be done
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Representation 3 1 modes - To be done
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Representation 4 1 modes - To be done
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Representation 5 1 modes - To be done
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Representation 6 1 modes - To be done
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Representation 7 1 modes - To be done
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Representation 8 1 modes - To be done
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Representation 9 1 modes - To be done
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Representation 10 1 modes - To be done
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Representation 11 1 modes - To be done
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Representation 12 1 modes - To be done
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Representation 13 1 modes - To be done
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Representation 14 1 modes - To be done
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Representation 15 1 modes - To be done
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Representation 16 1 modes - To be done
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Representation 17 1 modes - To be done
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Representation 18 1 modes - To be done
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Representation 19 1 modes - To be done
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Representation 20 1 modes - To be done
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Representation 21 1 modes - To be done
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Representation 22 1 modes - To be done
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Representation 23 1 modes - To be done
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Representation 24 1 modes - To be done
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PHONON : 0.41s CPU 0.74s WALL
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Routine solve_head
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Freq 1 0.
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Freq 2 0.005154639175257732
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Freq 3 0.015463917525773196
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Freq 4 0.025773195876288662
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Freq 5 0.03608247422680412
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Freq 6 0.04639175257731958
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Freq 7 0.05670103092783505
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Freq 8 0.06701030927835051
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Freq 9 0.07731958762886598
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Freq 10 0.08762886597938145
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Freq 11 0.0979381443298969
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Freq 12 0.10824742268041238
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Freq 13 0.11855670103092784
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Freq 14 0.12886597938144329
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Freq 15 0.13917525773195874
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Freq 16 0.14948453608247422
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Freq 17 0.15979381443298968
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Freq 18 0.17010309278350513
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Freq 19 0.18041237113402062
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Freq 20 0.19072164948453607
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Freq 21 0.20103092783505153
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Freq 22 0.20618556701030927
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Freq 23 0.211340206185567
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Freq 24 0.22164948453608246
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Freq 25 0.23195876288659792
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Freq 26 0.2422680412371134
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Freq 27 0.25257731958762886
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Freq 28 0.26288659793814434
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Freq 29 0.2731958762886598
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Freq 30 0.28350515463917525
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Freq 31 0.29381443298969073
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Freq 32 0.3041237113402062
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Freq 33 0.41237113402061853
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Freq 34 0.6185567010309279
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Freq 35 0.8247422680412371
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Freq 36 1.0309278350515463
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Freq 37 1.2371134020618557
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Freq 38 1.443298969072165
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Freq 39 1.6494845360824741
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Freq 40 1.8556701030927834
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Freq 41 2.0618556701030926
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Freq 42 2.268041237113402
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Freq 43 2.4742268041237114
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Freq 44 2.6804123711340204
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Freq 45 2.88659793814433
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Freq 46 3.092783505154639
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Freq 47 3.2989690721649483
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Freq 48 3.5051546391752577
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Freq 49 3.7113402061855667
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Freq 50 3.917525773195876
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Freq 51 4.123711340206185
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Freq 52 4.329896907216495
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Freq 53 4.536082474226804
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Freq 54 4.742268041237113
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Freq 55 4.948453608247423
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Freq 56 5.154639175257731
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Freq 57 5.360824742268041
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Freq 58 5.56701030927835
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Freq 59 5.77319587628866
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Freq 60 5.979381443298969
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Freq 61 6.185567010309278
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Freq 62 6.391752577319587
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Freq 63 6.597938144329897
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Freq 64 6.804123711340206
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Freq 65 7.010309278350515
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Freq 66 7.216494845360824
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Freq 67 7.422680412371133
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Freq 68 7.628865979381443
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Freq 69 7.835051546391752
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Freq 70 8.041237113402062
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Freq 71 8.24742268041237
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Freq 72 8.45360824742268
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Freq 73 8.65979381443299
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Freq 74 8.865979381443298
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Freq 75 9.072164948453608
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Freq 76 9.278350515463917
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Freq 77 9.484536082474227
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Freq 78 9.690721649484535
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Freq 79 9.896907216494846
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Freq 80 10.103092783505154
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Freq 81 10.309278350515463
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Freq 82 10.515463917525773
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Freq 83 10.721649484536082
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Freq 84 10.927835051546392
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Freq 85 11.1340206185567
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Freq 86 11.340206185567009
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Freq 87 11.54639175257732
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Freq 88 11.752577319587628
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Freq 89 11.958762886597938
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Freq 90 12.164948453608247
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Freq 91 12.371134020618555
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Freq 92 12.577319587628866
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Freq 93 12.783505154639174
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Freq 94 12.989690721649485
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Freq 95 13.195876288659793
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Freq 96 13.402061855670102
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Freq 97 13.608247422680412
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Freq 98 13.81443298969072
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Freq 99 14.02061855670103
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Freq 100 14.22680412371134
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Freq 101 14.432989690721648
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Freq 102 14.639175257731958
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Freq 103 14.845360824742267
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Freq 104 15.051546391752577
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Freq 105 15.257731958762886
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Freq 106 15.463917525773194
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Freq 107 15.670103092783505
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Freq 108 15.876288659793813
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Freq 109 16.082474226804123
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Freq 110 16.288659793814432
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Freq 111 16.49484536082474
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Freq 112 16.70103092783505
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Freq 113 16.90721649484536
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Freq 114 17.11340206185567
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Freq 115 17.31958762886598
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Freq 116 17.525773195876287
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Freq 117 17.731958762886595
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Freq 118 17.938144329896907
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Freq 119 18.144329896907216
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Freq 120 18.350515463917525
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Freq 121 18.556701030927833
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Freq 122 18.76288659793814
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Freq 123 18.969072164948454
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Freq 124 19.175257731958762
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Freq 125 19.38144329896907
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Freq 126 19.58762886597938
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Freq 127 19.79381443298969
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Freq 128 20.
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ik: 1
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ipol: 1
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before lanczos_state_k
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Lanczos N1 1.7869124915815684 1.8883923019509363 1.3591953334688476 1.5477905436415782 1.4164823252269694 1.2943387867162692 1.3497667674333882 0.7125508878417742 0.6924979169503213 0.7460256460649055 0.5461996797899602 0.5641405864900643 0.5527642946596356 0.903322877682871 0.6908620497246275 0.6910274944237459
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Lanczos alpha (0.6766937787468074,8.174812057768283E-18) (0.6862744263144461,-5.576971492323466E-17) (0.6498525356516635,-4.1293543238266595E-17) (0.6557240586235155,-4.113974082050433E-19) (0.6851241099106041,-4.980566543243967E-18) (0.6872958575842942,6.044724141278776E-17) (0.6855930134833788,2.408821015892976E-17) (0.8885766763430085,4.911723285311862E-17) (0.9020726323866534,2.684667917023671E-16) (0.8683859817700894,-2.4489718467673036E-17) (0.9571093720139426,-9.63642050596414E-17) (0.9394746344783489,-1.936413050197549E-16) (0.950474725394577,2.9320922796590177E-16) (0.9048645738272625,2.2035780304308293E-16) (0.9736343495612761,-2.3477428680368513E-16) (0.9737903205953025,-1.6191781818147463E-16)
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Lanczos beta 0.7362645786708523 0.7273427058730824 0.7600603146508205 0.7550006350608625 0.7284263545611207 0.7263775906148741 0.7279850409608557 0.45872812237665817 0.43158425121755106 0.49588888540196036 0.2897268541282938 0.3426184629756171 0.3108018603324396 0.42569954549236605 0.22811434271959327 0.22744760169079925
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Lanczos Diagonal 1 (1.2091925662182041,1.4607673782357772E-17) (1.2959553436779951,-1.0531510034303459E-16) (0.8832765339006389,-5.612599127184604E-17) (1.014923497175753,-6.367570180984203E-19) (0.9704661922752302,-7.054884478121864E-18) (0.8895936864207732,7.823920911057314E-17) (0.9253906655843754,3.2513465559474725E-17) (0.6331560996437036,3.4998527877820834E-17) (0.6246834188656504,1.8591269402422502E-16) (0.6478382130837382,-1.8269958041793424E-17) (0.5227728325179853,-5.263409794679019E-17) (0.5299957712871545,-1.0924091938254596E-16) (0.5253884911745442,1.62075592084268E-16) (0.8173848707429274,1.9905424476475298E-16) (0.6726470224202077,-1.6219664500383146E-16) (0.6729158853350681,-1.1188966420050406E-16)
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ATTENZIONE1
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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after lanczos_state_k
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ipol: 2
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before lanczos_state_k
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Lanczos N1 1.7869124266727687 1.7417330550870829 1.4147375697108397 1.5477905180993752 1.8605524375014053 1.1513374848644584 1.3497667199419692 0.7125508887130615 0.7043879455396213 0.7223056529016878 0.5482145287925189 0.5592010945259516 0.5527642924000503 0.9033227787626741 0.690987636834781 0.6908876783919747
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Lanczos alpha (0.6766937785129429,-1.2482829664079715E-18) (0.670662969509796,6.061459931257578E-17) (0.6504898256834962,-4.3832777870741823E-17) (0.6557240497347391,2.5890227715733315E-18) (0.7126393992095883,-1.6411227625890744E-18) (0.6984675413322231,-2.172800454253418E-17) (0.685593011626298,-4.457131112504227E-17) (0.8885766750022271,-1.4500874225393391E-16) (0.8939361833471826,2.0646668684313353E-16) (0.8824033368885935,-1.8826071130811452E-16) (0.9550501497780017,-9.585634860809234E-17) (0.9441753054917253,2.5397590212748334E-18) (0.9504747280819777,-2.9844739845681277E-16) (0.9048645945475648,2.3564374171404213E-17) (0.9737526965584653,1.1422768505454072E-16) (0.9736584847567001,8.662473191082898E-17)
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Lanczos beta 0.7362645788857938 0.7417622134675662 0.7595149680435889 0.7550006427808343 0.701530531548126 0.715641735580953 0.7279850427097962 0.45872812497380955 0.448194266030563 0.47049373114620363 0.2964442804457782 0.32944345872942593 0.31080185211399836 0.42569950144940105 0.22760862449634203 0.22801130467870626
|
|
Lanczos Diagonal 1 (1.209192521876928,-2.2305723446783505E-18) (1.1681158628180721,1.0557445124357201E-16) (0.9202723951090972,-6.201187763852837E-17) (1.0149234666691522,4.007264896984567E-18) (1.3259029712589365,-3.0533949561741425E-18) (0.8041718622969038,-2.501626610112483E-17) (0.9253906305179647,-6.01608724207613E-17) (0.6331560994625341,-1.0332610816420388E-16) (0.6296778716314522,1.4543264536780718E-16) (0.6373649183739435,-1.3598177599714382E-16) (0.5235723678337718,-5.254984298395676E-17) (0.5279838642553475,1.4202360245290464E-18) (0.5253884905123647,-1.6497106502661597E-16) (0.8173847999506667,2.128623595631624E-17) (0.6728510746564296,7.892991815694472E-17) (0.6726886500802045,5.984795992119984E-17)
|
|
ATTENZIONE1
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
after lanczos_state_k
|
|
ipol: 3
|
|
before lanczos_state_k
|
|
Lanczos N1 1.786912337270756 1.274192383436327 2.338188032798992 1.54779072670112 1.122983513989408 2.11341116806226 1.349766735970578 0.712550907089301 0.7640255394875354 0.6871875647900851 0.5771557084060542 0.5432795370201812 0.5527642918361774 0.9033228246487335 0.6909667856073906 0.6909035112360036
|
|
Lanczos alpha (0.6766937754828398,-4.461266754716603E-17) (0.6510209810378169,7.44592448972633E-17) (0.7494918650140828,-4.563772450082706E-17) (0.6557240338845773,-6.693531322158527E-18) (0.7020773464835699,4.866383380788325E-17) (0.743506675447728,-5.094522344714396E-17) (0.685593008937564,6.593501980122578E-17) (0.8885766627682412,5.809126896053347E-17) (0.8586252377274443,-8.132992324956462E-17) (0.9058375090554602,2.2477349893777297E-17) (0.9276208895728363,1.1715890592788444E-16) (0.9601305530865974,-4.5113628292277093E-17) (0.9504747277590297,-4.8950611069324685E-17) (0.9048645819415521,-1.1152510607152602E-16) (0.9737330617294281,1.475330179763198E-16) (0.9736734148999875,1.0725351536429375E-16)
|
|
Lanczos beta 0.736264581670734 0.7590597356259636 0.6620135529411106 0.7550006565468269 0.7121006948140048 0.6687285126003418 0.7279850452419598 0.45872814867157863 0.5126038442476714 0.4236253146215392 0.3735230718819092 0.2795520005824021 0.31080185310161845 0.4256995282446742 0.2276926096627503 0.227947540274062
|
|
Lanczos Diagonal 1 (1.2091924559646134,-7.971892603858965E-17) (0.8295259754956318,9.487540272451308E-17) (1.752452909456126,-1.0670958127201118E-16) (1.0149235789215998,-1.0360185709320456E-17) (0.7884212856464785,5.464868309377329E-17) (1.5713353114200703,-1.0766820419262133E-16) (0.9253906378779032,8.899689646325596E-17) (0.6331561070738942,4.1392986391796686E-17) (0.6560116104723239,-6.213813848722846E-17) (0.6224802719433384,1.54461553364395E-17) (0.5353816916536646,6.761893134688641E-17) (0.5216192823598171,-2.4509311091928844E-17) (0.5253884897979035,-2.7058149862683404E-17) (0.8173848300840382,-1.007431738357805E-16) (0.6728172037028257,1.0194041520205505E-16) (0.6727143811515515,7.410183035759521E-17)
|
|
ATTENZIONE1
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
after lanczos_state_k
|
|
ik: 2
|
|
ipol: 1
|
|
before lanczos_state_k
|
|
Lanczos N1 2.146388628327507 2.4843905579786587 1.7180896760365314 1.7180938511481427 1.7118327793040986 1.7118351287860893 1.5767479950112613 1.007012118237846 1.007012907040707 1.0783455522126453 0.7672153805891797 0.7672153571534824 0.72529402129952 0.592951624441818 0.6714128367165224 0.7687929608857665
|
|
Lanczos alpha (0.7192799815361455,-4.8300098383640396E-17) (0.7692121762672559,5.373091118971021E-17) (0.6945869659781317,-3.156456797190713E-17) (0.6945865203511818,3.4073259459974756E-17) (0.7360500328774741,-6.347727896273406E-17) (0.736049941273502,2.1592473274761593E-17) (0.7327917171704749,-1.0202852946866054E-16) (0.8466999321409533,-3.789047166736956E-17) (0.846699677342575,6.249431905845233E-17) (0.81495182705725,-2.7509438332145886E-16) (0.8966916027827633,1.51486768670208E-17) (0.8966914731016941,-1.4405657163505209E-18) (0.916842758116885,1.5508737448656852E-16) (0.9594975913673683,4.867430468171911E-16) (0.961075922823254,2.737158213169714E-16) (0.9413428269184885,3.156500410039638E-17)
|
|
Lanczos beta 0.6947203093053795 0.6389934490135177 0.7194087479960843 0.719409178247288 0.6769271372171972 0.6769272368218572 0.6804530103147074 0.5320706954085193 0.532071100876546 0.5795287047041328 0.4426558138089666 0.44265607650490024 0.3992484901519707 0.2817168297426038 0.2762844016035539 0.33745174797163185
|
|
Lanczos Diagonal 1 (1.5438543729528018,-1.0367078191774554E-16) (1.9110234678005864,1.334885684313059E-16) (1.1933626953565657,-5.4230758361086995E-17) (1.1933648297057498,5.854105756675791E-17) (1.2599945734875195,-1.0866248686943865E-16) (1.2599961460129188,3.6962754269111704E-17) (1.1554278708094055,-1.608732792736579E-16) (0.8526370921771018,-3.815616413478891E-17) (0.8526375034711751,6.293258590858154E-17) (0.8787996779747544,-2.9664680469337566E-16) (0.6879555893000993,1.1622297887953865E-17) (0.6879554687921985,-1.105224140572927E-18) (0.6649805709339387,1.1248394549414788E-16) (0.5689356554492928,2.886150802960134E-16) (0.6452787116427106,1.8377631604462053E-16) (0.7236977391152424,2.4266952962715095E-17)
|
|
ATTENZIONE1
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
after lanczos_state_k
|
|
ipol: 2
|
|
before lanczos_state_k
|
|
Lanczos N1 2.1463886220897077 2.484390533518875 1.7180896837226043 1.7180938349385535 1.711832778504246 1.711835136478162 1.5767481173531013 1.0070121221623665 1.007012912323955 1.0783455202028893 0.7672153813925323 0.7672153604336968 0.7252940093975736 0.5929516185213263 0.6714128472455602 0.7687929693666317
|
|
Lanczos alpha (0.7192799809844854,2.5827078784333075E-18) (0.7692121761229083,3.553347403994614E-17) (0.6945869661657543,-2.84765893609978E-17) (0.6945865192405968,7.340905370400766E-17) (0.7360500330860689,9.872750355179282E-18) (0.736049942917822,-7.393464766526491E-19) (0.7327917166630219,-7.03062296808674E-17) (0.846699932777321,-6.467113593501418E-17) (0.8466996736272007,3.3350006233238044E-17) (0.8149518359603833,8.748935180443597E-17) (0.8966916020713356,-1.5441410114753826E-16) (0.8966914719251853,-1.0683681509602386E-16) (0.9168427640483598,-3.1118887355309967E-16) (0.9594975933974665,1.9088242601700806E-17) (0.9610759199123834,1.3494530061956104E-16) (0.9413428239526207,1.00383914020993E-16)
|
|
Lanczos beta 0.6947203098765415 0.6389934491872822 0.7194087478149366 0.7194091793195522 0.6769271369903838 0.6769272350339217 0.680453010861192 0.5320706943958461 0.5320711067889238 0.5795286921842593 0.4426558152501111 0.4426560788881689 0.39924847653079926 0.2817168228282943 0.2762844117292319 0.3374517562451025
|
|
Lanczos Diagonal 1 (1.5438543672820009,5.543494804450699E-18) (1.911023448627207,8.827902652788089E-17) (1.193362701017564,-4.8925334408735183E-17) (1.1933648165386983,1.2612364259752875E-16) (1.2599945732558675,1.6900497671985332E-17) (1.2599961544894733,-1.2656392767653357E-18) (1.155427959660367,-1.1085521528750239E-16) (0.8526370961408231,-6.512461784056951E-17) (0.8526375042030696,3.3583886902955096E-17) (0.8787996614889994,9.43437505837681E-17) (0.6879555894746405,-1.1846887350429363E-16) (0.6879554708309031,-8.196684560148416E-17) (0.6649805643237885,-2.257034257792422E-16) (0.5689356509723452,1.1318404345406224E-17) (0.6452787198075193,9.060400851138752E-17) (0.7236977448185057,7.717444733684386E-17)
|
|
ATTENZIONE1
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
after lanczos_state_k
|
|
ipol: 3
|
|
before lanczos_state_k
|
|
Lanczos N1 1.629485741463342 1.3439322140347953 2.611944333278177 2.6119453913812896 2.3356016674184246 2.3355809946614725 1.0178148383335175 1.0017053214302785 1.0017068104171114 1.1884240530111454 0.7406457325318184 0.7406459619249778 0.9087330668828488 1.249365427211587 0.9244380150997896 0.8482930788614433
|
|
Lanczos alpha (0.6563342583834856,-1.737078495939828E-17) (0.6421310812447882,9.364537753081967E-17) (0.7905463327228007,-2.115722282668157E-18) (0.7905506846839574,-9.259071161393533E-17) (0.7686648954156154,7.821182463756929E-17) (0.7686658257570036,-9.15658451202737E-17) (0.7956016472455064,7.277012260293821E-17) (0.8589398794150117,-1.4230542464541956E-17) (0.8589399231091767,2.1442317921092005E-17) (0.850100366951158,9.133725265901055E-18) (0.9217207610836478,-1.7888817209235417E-16) (0.9217202774152276,-6.585393813464627E-17) (0.8679931523753264,-8.069370122857455E-17) (0.8404204765546731,-3.1199534663001516E-17) (0.894700345427219,1.0514269671615234E-16) (0.9410296427575303,-6.11267999825651E-17)
|
|
Lanczos beta 0.7544702388247001 0.7665948568177318 0.6124022336818602 0.6123966157203391 0.6396516853379676 0.6396505673516621 0.6058201209106854 0.5120764430732242 0.5120763697820846 0.5266207042165234 0.3878541460231951 0.38785529544096636 0.49657616478194444 0.5419348877749197 0.4466668690337518 0.33832412188851707
|
|
Lanczos Diagonal 1 (1.0694873156698066,-2.8305446409365376E-17) (0.8629806457178653,1.2585303955911876E-16) (2.0648630139491635,-5.526148827005462E-18) (2.0648752175135856,-2.4184188248473244E-16) (1.7952950114187203,1.8267166803534425E-16) (1.7952812938838245,-2.1385944762302719E-16) (0.8097751619690653,7.406651057261981E-17) (0.860404647998699,-1.4254810113571226E-17) (0.8604059707176123,2.147891589268674E-17) (1.0102797235583572,1.0854738799592435E-17) (0.6826685482825835,-1.3249276126061965E-16) (0.6826684014919586,-4.877445335628306E-17) (0.7887740793913423,-7.332903459557086E-17) (1.0499922877280947,-3.897961995304361E-17) (0.8270950114358344,9.719790585451905E-17) (0.7982689329546695,-5.1853441358157776E-17)
|
|
ATTENZIONE1
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
after lanczos_state_k
|
|
ik: 3
|
|
ipol: 1
|
|
before lanczos_state_k
|
|
Lanczos N1 1.8691750874657553 2.0423168760345445 2.042323525707613 1.4474333408882594 1.7746397145014845 1.6469372860179134 1.646950276463917 1.3515513570318543 0.8787412751347372 0.9021380002790702 0.9021383171645313 0.8629042078629028 0.7366895160861937 0.7366896299309067 1.0540343041646165 0.7663866305951357
|
|
Lanczos alpha (0.6888765611774379,2.560012699497436E-17) (0.7135857162507007,2.3475388642947586E-18) (0.7135904027991217,1.5420649633570624E-17) (0.6609226083053207,-2.844103811810669E-17) (0.7633991762090718,-1.5575426940209818E-17) (0.7554587391286969,1.8755049606779028E-16) (0.7554572233724643,1.5874888241203394E-16) (0.7756977566766592,-1.3618783896365627E-17) (0.8611199655843058,7.00108392197371E-17) (0.8910940278423157,-9.03368082143487E-17) (0.8910938024079835,2.3587830769238592E-17) (0.9258454036849381,-1.309807281441603E-16) (0.9324582202922098,-5.262811960946888E-17) (0.9324581017346985,6.549596676617001E-17) (0.8770143890051332,-2.834726722894075E-18) (0.954086825180095,-3.406984163150092E-17)
|
|
Lanczos beta 0.7248786680958056 0.7005679307269024 0.7005631570622215 0.7504540664363768 0.6459270065288419 0.6551962251677584 0.6551979728710765 0.6311045795165785 0.5084018143870901 0.4538187232185963 0.4538191658690507 0.3779024854052657 0.3612778257926786 0.36127813178951523 0.4804641104993731 0.299530182148253
|
|
Lanczos Diagonal 1 (1.2876309064919462,4.7851119614965644E-17) (1.457368150796004,4.7944182396961535E-18) (1.457382467355818,3.149395552833577E-17) (0.9566414190079527,-4.1166506821621504E-17) (1.3547584961183357,-2.764077121841268E-17) (1.244193165519131,3.0888390498519987E-16) (1.2442004828899433,2.6145151577683715E-16) (1.0483953556829038,-1.8406485856256526E-17) (0.7567016566015339,6.152141412920485E-17) (0.8038897843382888,-8.149626751408642E-17) (0.8038898633400816,2.1279485955722654E-17) (0.7989158946702609,-1.1302382146454286E-16) (0.6869321950776615,-3.877058396762595E-17) (0.6869322138930107,4.825019951893675E-17) (0.9244032512573819,-2.9878992088625E-18) (0.7311993872449832,-2.611067113287587E-17)
|
|
ATTENZIONE1
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
after lanczos_state_k
|
|
ipol: 2
|
|
before lanczos_state_k
|
|
Lanczos N1 1.9874126166647303 1.9634132723519415 1.9634178297620521 2.223090075446986 2.03333499363074 1.661324258351558 1.6613239110931555 1.464707866791008 1.2204309201779187 0.9607694732175923 0.9607692602869354 0.8695926019475815 0.7697945476372672 0.7697950308981799 0.6190389750347136 0.6953094824831237
|
|
Lanczos alpha (0.7033400044059227,-1.6388612668442002E-17) (0.7059945994266955,2.38944296547182E-17) (0.7059942161337487,-8.725126013161426E-17) (0.7438008956456693,-7.65571100410414E-17) (0.7777038002044744,-1.6184291358978918E-16) (0.7615247301471677,-2.2716229766469374E-17) (0.7615245021494252,-8.750132644213655E-17) (0.798290049368635,-2.098208905478367E-17) (0.8376430985088046,4.848454677662034E-17) (0.8440544595413214,-1.5424497866323786E-16) (0.8440547973749899,7.666425712064953E-17) (0.8868795428046776,-1.2504265435537336E-16) (0.9453063329126042,6.093289369624929E-17) (0.9453062946529813,-5.259217766229685E-19) (0.9659551022360016,-7.402221779512683E-17) (0.9736765589088339,1.203322568731841E-16)
|
|
Lanczos beta 0.7108535982903067 0.7082172163823315 0.7082175984721739 0.6684012474829027 0.6286308926130822 0.6481358541033521 0.648136121988329 0.6022731913999015 0.5462179414121897 0.5362574655223055 0.5362569337810629 0.4620007322013354 0.3261839005152202 0.32618401139456804 0.2587097610532609 0.227934110285077
|
|
Lanczos Diagonal 1 (1.3978267985613577,-3.257093558689307E-17) (1.3861591667231663,4.6914640319353535E-17) (1.386161631665886,-1.7131067981161833E-16) (1.6535363892184667,-1.7019335153714192E-16) (1.5813323516353672,-3.290808596732744E-16) (1.2651395075281138,-3.773902356932332E-17) (1.2651388643041512,-1.4536804587068924E-16) (1.169261715291222,-3.073263090025115E-17) (1.0222855374937834,5.91720400370001E-17) (0.810941758460475,-1.481938668967378E-16) (0.8109419033156082,7.365666160425387E-17) (0.7712238892416011,-1.087361671553212E-16) (0.7276916609231021,4.690580933913392E-17) (0.7276920883006357,-4.0485197028550365E-19) (0.5979638564177264,-4.5822637833691655E-17) (0.67700654428085,8.366815925251995E-17)
|
|
ATTENZIONE1
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
after lanczos_state_k
|
|
ipol: 3
|
|
before lanczos_state_k
|
|
Lanczos N1 1.9874126838692097 1.9634132453922295 1.9634178590480604 2.2230900645285647 2.0333349616676686 1.6613242899549587 1.661323903888272 1.4647078481028677 1.2204309139045466 0.960769468882133 0.960769251722231 0.8695925833819019 0.7697945469299431 0.7697950309052708 0.6190389760492373 0.6953094804240944
|
|
Lanczos alpha (0.7033400068014178,-4.095471936419313E-17) (0.7059945962536701,-6.278473693838045E-17) (0.7059942177040107,-1.0525355834907964E-17) (0.7438008943117206,7.918167719060447E-17) (0.7777037966511856,-6.046480132103448E-18) (0.7615247310673605,4.0250524984186733E-17) (0.7615245042125033,-9.089310789678759E-17) (0.7982900460013077,1.0085865847286752E-17) (0.8376431005251267,-1.9199062970437613E-17) (0.8440544604308293,2.5101093980702262E-17) (0.8440548006565717,-6.120197347430758E-17) (0.8868795513261761,7.423255372199567E-17) (0.9453063325999412,4.0886229250937673E-16) (0.9453062947069877,-7.784818707536613E-17) (0.9659551013149319,4.438404303861427E-17) (0.9736765590103755,-1.6669812177277316E-16)
|
|
Lanczos beta 0.7108535959201309 0.7082172195453994 0.7082175969068419 0.6684012489673284 0.6286308970089929 0.6481358530221764 0.6481361195643247 0.6022731958631652 0.5462179383200938 0.5362574641222441 0.5362569286159338 0.46200071584303914 0.32618390142134573 0.32618401123804897 0.2587097644923003 0.22793410985132095
|
|
Lanczos Diagonal 1 (1.397826850589794,-8.139392872870136E-17) (1.3861591414597951,-1.2327238411328296E-16) (1.386161655424719,-2.0665671619094004E-17) (1.653536378131847,1.7602799985514087E-16) (1.5813323195525388,-1.2294519447634884E-17) (1.2651395331236237,6.686917483966835E-17) (1.2651388622448967,-1.5100289284762907E-16) (1.1692616954405146,1.4772846861433586E-17) (1.0222855346997184,-2.3431129967122113E-17) (0.8109417556557232,2.4116364732199816E-17) (0.8109418992393712,-5.880097425883433E-17) (0.7712238801863116,6.455207816214603E-17) (0.7276916600137778,3.1473996321899354E-16) (0.7276920883489126,-5.992714757560077E-17) (0.5979638568275327,2.7475452555549056E-17) (0.6770065423466243,-1.159067844374993E-16)
|
|
ATTENZIONE1
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
after lanczos_state_k
|
|
ik: 4
|
|
ipol: 1
|
|
before lanczos_state_k
|
|
Lanczos N1 1.7742303034376432 1.850876542426595 1.772809396894945 1.810409237738256 1.9234703580142571 1.9031688405504226 1.9443922396234372 1.6346968183084774 0.8063651060228805 0.8768958757287456 0.8306633805512001 0.6574381015146331 0.6679323433835807 0.6620338430790684 0.7582362802207937 0.6213865570444934
|
|
Lanczos alpha (0.6783786525888963,1.7927941673843498E-17) (0.693020628238886,6.598828502291854E-17) (0.6848408484894621,-3.188745881956951E-17) (0.6886651479358271,4.714082277649378E-17) (0.7841910780279291,-8.662126663719033E-17) (0.7823912189833879,-6.902286754620806E-17) (0.7861133840444166,-9.501546639748984E-17) (0.7663849005895662,-5.841083380080514E-17) (0.926376484874199,-1.0154229116616526E-17) (0.8978807239762207,-5.934788551068451E-17) (0.9155536490473565,8.413769795026272E-17) (0.9638930529326207,-7.338375434703491E-18) (0.9588884128806893,7.089720304488151E-17) (0.9616615920192406,1.5511761608976419E-16) (0.9437766976110803,1.3727041461046942E-17) (0.9749553588390029,5.20826118328385E-17)
|
|
Lanczos beta 0.7347124632886498 0.7209177545569115 0.7286926733817444 0.7250795225480623 0.6205194220501044 0.622787267417766 0.618082314442207 0.6423816499156264 0.3765987364186481 0.440238805095527 0.40219586735329443 0.2662896590336004 0.2837833885962191 0.27423891488084373 0.3305836430410912 0.22240064809058424
|
|
Lanczos Diagonal 1 (1.203599962628417,3.180829739599572E-17) (1.282695624225096,1.2213616882388013E-16) (1.2140922915796257,-5.653038663843342E-17) (1.246765745531404,8.534418102914632E-17) (1.508368293605967,-1.666134387502849E-16) (1.4890225890894462,-1.3136217079938217E-16) (1.5285127634000824,-1.847473355074807E-16) (1.2528069585934225,-9.548400416892142E-17) (0.7469976724426868,-8.188016038201105E-18) (0.7873479037510881,-5.2041916037541026E-17) (0.7605168891936642,6.989010461116101E-17) (0.633700018783166,-4.824527613993084E-18) (0.6404725846587612,4.7354534969109235E-17) (0.6366525195060331,1.0269311150917012E-16) (0.7156057325556904,1.0408340855860843E-17) (0.6058241537010466,3.236343484869231E-17)
|
|
ATTENZIONE1
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
after lanczos_state_k
|
|
ipol: 2
|
|
before lanczos_state_k
|
|
Lanczos N1 1.7742303248468043 1.6913127750016936 1.9642398478977594 1.8104089192652224 1.923470335936236 1.9290396307443767 1.9179616515341011 1.6346967694151795 0.8519258495565922 0.8156369053648023 0.8306633814539341 0.6534271260470885 0.6767077302832539 0.6620338407281119 0.6289286665194086 0.6538002702258119
|
|
Lanczos alpha (0.6783786545754085,-4.9406120168129364E-17) (0.6773607091147102,-7.551138958056376E-18) (0.7064203080126553,2.2919976188417826E-17) (0.6886651383382623,3.9754206729656266E-17) (0.7841910762817448,2.6416958456306054E-17) (0.7846944285645744,8.06639326624466E-18) (0.7836945876011882,1.6513967268795577E-17) (0.7663848942698817,3.423770472113183E-17) (0.9069756918351093,-1.2208459626651322E-16) (0.9221124819506463,-5.998843169917862E-17) (0.9155536505170506,5.2666598566332625E-17) (0.9658916809569754,2.069818933574317E-16) (0.9549443248697653,7.448042287829133E-17) (0.9616615931055174,6.320944639185023E-17) (0.9719820854081168,-8.024695615880749E-17) (0.9633802214449976,-2.688117153870239E-16)
|
|
Lanczos beta 0.7347124614544495 0.7356510516186429 0.7077925885648318 0.725079531663625 0.6205194242568712 0.6198827742240592 0.621146354223064 0.6423816574552419 0.4211829702400419 0.386921918002616 0.402195864007697 0.2589464436096903 0.2967850002931943 0.2742389110716389 0.23505494175976574 0.26813904775057784
|
|
Lanczos Diagonal 1 (1.203599980676465,-8.765783663532041E-17) (1.1456288206099157,-1.2771337785573726E-17) (1.3875789183626663,4.50203305421581E-17) (1.2467655088346083,7.197137044168323E-17) (1.5083682729338461,5.0812235956364596E-17) (1.5137066507253762,1.5560392287755523E-17) (1.5030961655339112,3.1673155936239256E-17) (1.2528069107915694,5.596826529982504E-17) (0.7726760367938035,-1.0400702339212283E-16) (0.7521089711764822,-4.8928778788805854E-17) (0.7605168912409868,4.374821485478678E-17) (0.6311398251605078,1.3524758372033155E-16) (0.6462182066294931,5.0401477916505464E-17) (0.6366525179643604,4.18467925650943E-17) (0.6113073968564808,-5.046961112920023E-17) (0.6298582491109419,-1.7574917215990027E-16)
|
|
ATTENZIONE1
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
after lanczos_state_k
|
|
ipol: 3
|
|
before lanczos_state_k
|
|
Lanczos N1 1.7742303238029793 1.9149910275906599 1.7231187022407377 1.8104088856029967 1.9234703096791859 1.9387107034117699 1.908569635755615 1.6346967786650046 0.847196530294877 0.8181633859309703 0.8306633681638121 0.6880689150354037 0.6504666080079885 0.6620338379722953 0.625785813350302 0.6696328185867387
|
|
Lanczos alpha (0.678378654923585,1.453169065746224E-17) (0.7003940554345985,1.9578680534607563E-16) (0.680141762077926,9.1316092406837E-17) (0.6886651418293454,5.64457091865331E-17) (0.7841910708735034,7.26264933943328E-17) (0.7855837779033108,7.812854946482933E-17) (0.7828628389484127,-4.6858156496562646E-17) (0.766384895403672,-3.1758246122310745E-17) (0.9088150136471592,-1.383913981934696E-17) (0.9209797198268229,1.8822547566580486E-17) (0.9155536572203045,1.0341896549287325E-17) (0.9501493832193847,2.6327637463755516E-17) (0.9673981393918856,1.9601796627458068E-17) (0.961661594294057,-3.6305798281384E-16) (0.9731995124451952,-1.1302149966787824E-19) (0.9587969656546679,1.0912161523307311E-16)
|
|
Lanczos beta 0.734712461132971 0.7137563779833264 0.7330806118548865 0.7250795283478685 0.6205194310916203 0.6187553053470827 0.6221943228555117 0.6423816561025886 0.4171993180357739 0.38961051791206935 0.4021958487484969 0.3117950441681623 0.2532604191363452 0.27423890690384156 0.22996240774620602 0.2840922009689851
|
|
Lanczos Diagonal 1 (1.2035999805861017,2.5782566220593956E-17) (1.3412483319350914,3.7492997555837386E-16) (1.1719649904114444,1.5734846664176426E-16) (1.2467654919728948,1.0218981346546223E-16) (1.5083682419407098,1.3969490374011065E-16) (1.5230196786478032,1.5146865508950053E-16) (1.4941482433783786,-8.943205467682418E-17) (1.2528069197338991,-5.1915102632191747E-17) (0.7699449262417646,-1.1724471237216415E-17) (0.7535118859472698,1.5399919248920235E-17) (0.7605168846413144,8.590634620832716E-18) (0.65376825523332,1.8115228945131704E-17) (0.629260186323479,1.2750314163125078E-17) (0.6366525161010509,-2.4035666976872613E-16) (0.6090144484476339,-7.072725109573408E-20) (0.6420419145637478,7.307141477726035E-17)
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ATTENZIONE1
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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lanczos alfa beta gamma
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lanczos d f omat
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lanczos h_psi
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|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
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lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
|
lanczos h_psi
|
|
lanczos alfa beta gamma
|
|
lanczos d f omat
|
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after lanczos_state_k
|
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|
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Unsymmetrized in crystal axis
|
|
|
|
( 12.32323 -5.26390 -3.32915 )
|
|
( -5.26394 15.68659 -6.19700 )
|
|
( -3.32920 -6.19703 12.49072 )
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|
|
|
Symmetrized in crystal axis
|
|
|
|
( 12.32323 -5.26390 -3.32915 )
|
|
( -5.26394 15.68659 -6.19700 )
|
|
( -3.32920 -6.19703 12.49072 )
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|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 13.500182454 0.000000000 0.000000000 )
|
|
( 0.000000000 13.500182454 0.000000000 )
|
|
( 0.000000000 0.000000000 13.500182454 )
|
|
POLA SCA (0.3143201189263525,0.)
|
|
POLA SCA (0.3143201189263526,0.)
|
|
POLA SCA (0.31432011892635253,0.)
|
|
HEAD: 0. 13.50018245397647 13.500182453976477 13.500182453976473
|
|
E_HEAD : 1
|
|
1 (9.164402306340251E-18,0.000003368260464315057)
|
|
1 (9.201528428093294E-19,2.5974180624258396E-18)
|
|
1 (1.982870248204427E-18,3.2756020118540617E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 12.31863 -5.26153 -3.32768 )
|
|
( -5.26157 15.68069 -6.19430 )
|
|
( -3.32774 -6.19432 12.48610 )
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|
|
|
Symmetrized in crystal axis
|
|
|
|
( 12.31863 -5.26153 -3.32768 )
|
|
( -5.26157 15.68069 -6.19430 )
|
|
( -3.32774 -6.19432 12.48610 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 13.495139082 0.000000000 0.000000000 )
|
|
( 0.000000000 13.495139082 0.000000000 )
|
|
( 0.000000000 0.000000000 13.495139082 )
|
|
POLA SCA (0.31414745212665385,0.)
|
|
POLA SCA (0.31414745212665385,0.)
|
|
POLA SCA (0.3141474521266539,0.)
|
|
HEAD: 0.005154639175257732 13.495139081947665 13.495139081947668 13.495139081947665
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|
E_HEAD : 2
|
|
2 (6.0514492997648074E-18,0.000003750864503626105)
|
|
2 (2.68940425485198E-18,6.548369363575633E-18)
|
|
2 (2.981894787514039E-18,-2.2382096176443164E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 12.28198 -5.24264 -3.31599 )
|
|
( -5.24269 15.63363 -6.17273 )
|
|
( -3.31604 -6.17275 12.44925 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 12.28198 -5.24264 -3.31599 )
|
|
( -5.24269 15.63363 -6.17273 )
|
|
( -3.31604 -6.17275 12.44925 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 13.454952101 0.000000000 0.000000000 )
|
|
( 0.000000000 13.454952101 0.000000000 )
|
|
( 0.000000000 0.000000000 13.454952101 )
|
|
POLA SCA (0.31277265055465026,0.)
|
|
POLA SCA (0.3127726505546503,0.)
|
|
POLA SCA (0.3127726505546503,0.)
|
|
HEAD: 0.015463917525773196 13.454952100775651 13.45495210077565 13.454952100775644
|
|
E_HEAD : 3
|
|
3 (3.918373729856245E-18,0.000004408362828058813)
|
|
3 (4.4195758164278235E-18,-2.4504578460772185E-18)
|
|
3 (-8.83014906853663E-19,-4.519051799434237E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 12.20944 -5.20531 -3.29289 )
|
|
( -5.20535 15.54048 -6.13007 )
|
|
( -3.29294 -6.13008 12.37634 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 12.20944 -5.20531 -3.29289 )
|
|
( -5.20535 15.54048 -6.13007 )
|
|
( -3.29294 -6.13008 12.37634 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 13.375421058 0.000000000 0.000000000 )
|
|
( 0.000000000 13.375421058 0.000000000 )
|
|
( 0.000000000 0.000000000 13.375421058 )
|
|
POLA SCA (0.31005755523745815,0.)
|
|
POLA SCA (0.31005755523745815,0.)
|
|
POLA SCA (0.31005755523745804,0.)
|
|
HEAD: 0.025773195876288662 13.37542105848923 13.375421058489229 13.375421058489232
|
|
E_HEAD : 4
|
|
4 (4.439601367754205E-18,0.000004959140385863435)
|
|
4 (-3.2365221613872564E-18,2.977405512893591E-19)
|
|
4 (8.769840322692125E-19,4.185096713626991E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 12.10255 -5.15034 -3.25891 )
|
|
( -5.15038 15.40313 -6.06721 )
|
|
( -3.25896 -6.06722 12.26887 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 12.10255 -5.15034 -3.25891 )
|
|
( -5.15038 15.40313 -6.06721 )
|
|
( -3.25896 -6.06722 12.26887 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 13.258183207 0.000000000 0.000000000 )
|
|
( 0.000000000 13.258183207 0.000000000 )
|
|
( 0.000000000 0.000000000 13.258183207 )
|
|
POLA SCA (0.30606896227153974,0.)
|
|
POLA SCA (0.30606896227153974,0.)
|
|
POLA SCA (0.30606896227153974,0.)
|
|
HEAD: 0.03608247422680412 13.25818320749561 13.258183207495607 13.258183207495605
|
|
E_HEAD : 5
|
|
5 (1.1186884406668049E-17,0.0000054390385563375795)
|
|
5 (-1.2363443602225747E-18,-1.7983102393271876E-18)
|
|
5 (-2.329713299446118E-18,6.764366844436154E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 11.96345 -5.07890 -3.21481 )
|
|
( -5.07894 15.22429 -5.98545 )
|
|
( -3.21486 -5.98546 12.12900 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 11.96345 -5.07890 -3.21481 )
|
|
( -5.07894 15.22429 -5.98545 )
|
|
( -3.21486 -5.98546 12.12900 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 13.105578506 0.000000000 0.000000000 )
|
|
( 0.000000000 13.105578506 0.000000000 )
|
|
( 0.000000000 0.000000000 13.105578506 )
|
|
POLA SCA (0.3009017694994268,0.)
|
|
POLA SCA (0.3009017694994268,0.)
|
|
POLA SCA (0.3009017694994268,0.)
|
|
HEAD: 0.04639175257731958 13.105578506147303 13.105578506147308 13.10557850614731
|
|
E_HEAD : 6
|
|
6 (7.048818123740015E-18,0.000005857996315926869)
|
|
6 (1.296740492762183E-18,-4.822649847828139E-18)
|
|
6 (-4.570589783384205E-18,4.973799150320671E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 11.79484 -4.99246 -3.16155 )
|
|
( -4.99250 15.00732 -5.88640 )
|
|
( -3.16159 -5.88641 11.95941 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 11.79484 -4.99246 -3.16155 )
|
|
( -4.99250 15.00732 -5.88640 )
|
|
( -3.16159 -5.88641 11.95941 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 12.920524997 0.000000000 0.000000000 )
|
|
( 0.000000000 12.920524997 0.000000000 )
|
|
( 0.000000000 0.000000000 12.920524997 )
|
|
POLA SCA (0.2946733836112089,0.)
|
|
POLA SCA (0.294673383611209,0.)
|
|
POLA SCA (0.2946733836112089,0.)
|
|
HEAD: 0.05670103092783505 12.920524997126606 12.920524997126604 12.920524997126606
|
|
E_HEAD : 7
|
|
7 (3.369826022445446E-18,0.000006209634695462939)
|
|
7 (-2.092548356813495E-18,-3.0678601613308777E-18)
|
|
7 (1.1651446409251253E-18,4.718003765447067E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 11.59980 -4.89269 -3.10018 )
|
|
( -4.89272 14.75612 -5.77193 )
|
|
( -3.10021 -5.77194 11.76320 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 11.59980 -4.89269 -3.10018 )
|
|
( -4.89272 14.75612 -5.77193 )
|
|
( -3.10021 -5.77194 11.76320 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 12.706373919 0.000000000 0.000000000 )
|
|
( 0.000000000 12.706373919 0.000000000 )
|
|
( 0.000000000 0.000000000 12.706373919 )
|
|
POLA SCA (0.28751730346985727,0.)
|
|
POLA SCA (0.28751730346985727,0.)
|
|
POLA SCA (0.28751730346985727,0.)
|
|
HEAD: 0.06701030927835051 12.70637391889369 12.706373918893691 12.706373918893691
|
|
E_HEAD : 8
|
|
8 (5.510398992515076E-18,0.000006484941538495264)
|
|
8 (-6.039613253960803E-20,3.8607168812787934E-18)
|
|
8 (-1.2458838214574054E-18,4.497735517361434E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 11.38168 -4.78140 -3.03186 )
|
|
( -4.78142 14.47490 -5.64405 )
|
|
( -3.03189 -5.64405 11.54370 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 11.38168 -4.78140 -3.03186 )
|
|
( -4.78142 14.47490 -5.64405 )
|
|
( -3.03189 -5.64405 11.54370 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 12.466757877 0.000000000 0.000000000 )
|
|
( 0.000000000 12.466757877 0.000000000 )
|
|
( 0.000000000 0.000000000 12.466757877 )
|
|
POLA SCA (0.27957648934342405,0.)
|
|
POLA SCA (0.27957648934342405,0.)
|
|
POLA SCA (0.27957648934342405,0.)
|
|
HEAD: 0.07731958762886598 12.466757877206142 12.466757877206142 12.466757877206136
|
|
E_HEAD : 9
|
|
9 (1.0010145373702279E-17,0.000006678874523966271)
|
|
9 (2.557953848736361E-19,-4.758063585599999E-18)
|
|
9 (1.792999342747903E-18,-1.9895196601282807E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 11.14392 -4.66046 -2.95777 )
|
|
( -4.66047 14.16805 -5.50485 )
|
|
( -2.95778 -5.50485 11.30436 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 11.14392 -4.66046 -2.95777 )
|
|
( -4.66047 14.16805 -5.50485 )
|
|
( -2.95778 -5.50485 11.30436 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 12.205444128 0.000000000 0.000000000 )
|
|
( 0.000000000 12.205444128 0.000000000 )
|
|
( 0.000000000 0.000000000 12.205444128 )
|
|
POLA SCA (0.27099706884756836,0.)
|
|
POLA SCA (0.27099706884756836,0.)
|
|
POLA SCA (0.27099706884756836,0.)
|
|
HEAD: 0.08762886597938145 12.205444127827155 12.20544412782715 12.205444127827155
|
|
E_HEAD : 10
|
|
10 (6.637687905900183E-18,0.0000067914394395996006)
|
|
10 (-1.3269385590319874E-18,2.6932767810666085E-18)
|
|
10 (1.4264034831762418E-18,-3.2684965844964585E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 10.88999 -4.53172 -2.87905 )
|
|
( -4.53173 13.83998 -5.35642 )
|
|
( -2.87906 -5.35642 11.04864 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 10.88999 -4.53172 -2.87905 )
|
|
( -4.53173 13.83998 -5.35642 )
|
|
( -2.87906 -5.35642 11.04864 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 11.926202431 0.000000000 0.000000000 )
|
|
( 0.000000000 11.926202431 0.000000000 )
|
|
( 0.000000000 0.000000000 11.926202431 )
|
|
POLA SCA (0.26192280303695026,0.)
|
|
POLA SCA (0.2619228030369502,0.)
|
|
POLA SCA (0.26192280303695026,0.)
|
|
HEAD: 0.0979381443298969 11.92620243074854 11.926202430748548 11.926202430748546
|
|
E_HEAD : 11
|
|
11 (1.3998654793451447E-17,0.00000682666928462288)
|
|
11 (1.9859669464494805E-18,4.299827231464895E-18)
|
|
11 (5.952947553303223E-19,-4.476419235288631E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 10.62321 -4.39699 -2.79682 )
|
|
( -4.39699 13.49498 -5.20081 )
|
|
( -2.79682 -5.20080 10.77990 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 10.62321 -4.39699 -2.79682 )
|
|
( -4.39699 13.49498 -5.20081 )
|
|
( -2.79682 -5.20080 10.77990 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 11.632693727 0.000000000 0.000000000 )
|
|
( 0.000000000 11.632693727 0.000000000 )
|
|
( 0.000000000 0.000000000 11.632693727 )
|
|
POLA SCA (0.2524905772996192,0.)
|
|
POLA SCA (0.2524905772996193,0.)
|
|
POLA SCA (0.2524905772996192,0.)
|
|
HEAD: 0.10824742268041238 11.632693726540523 11.632693726540518 11.632693726540518
|
|
E_HEAD : 12
|
|
12 (4.657638726171859E-18,0.000006791316297010497)
|
|
12 (-1.8296475445822578E-18,4.4618815749335876E-18)
|
|
12 (3.0860459587084278E-18,-3.709033080667723E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 10.34675 -4.25797 -2.71210 )
|
|
( -4.25796 13.13712 -5.03992 )
|
|
( -2.71209 -5.03992 10.50128 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 10.34675 -4.25797 -2.71210 )
|
|
( -4.25796 13.13712 -5.03992 )
|
|
( -2.71209 -5.03992 10.50128 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 11.328382693 0.000000000 0.000000000 )
|
|
( 0.000000000 11.328382693 0.000000000 )
|
|
( 0.000000000 0.000000000 11.328382693 )
|
|
POLA SCA (0.24282702680905605,0.)
|
|
POLA SCA (0.24282702680905605,0.)
|
|
POLA SCA (0.24282702680905605,0.)
|
|
HEAD: 0.11855670103092784 11.328382692877737 11.328382692877737 11.328382692877733
|
|
E_HEAD : 13
|
|
13 (6.536641998893111E-18,0.0000066937897345989366)
|
|
13 (-5.307754236127949E-18,-1.0399192900030496E-18)
|
|
13 (-1.2336865470169434E-18,4.853006885241484E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 10.06351 -4.11621 -2.62582 )
|
|
( -4.11619 12.77018 -4.87555 )
|
|
( -2.62580 -4.87554 10.21573 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 10.06351 -4.11621 -2.62582 )
|
|
( -4.11619 12.77018 -4.87555 )
|
|
( -2.62580 -4.87554 10.21573 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 11.016474517 0.000000000 0.000000000 )
|
|
( 0.000000000 11.016474517 0.000000000 )
|
|
( 0.000000000 0.000000000 11.016474517 )
|
|
POLA SCA (0.23304627820628776,0.)
|
|
POLA SCA (0.23304627820628776,0.)
|
|
POLA SCA (0.23304627820628773,0.)
|
|
HEAD: 0.12886597938144329 11.016474517109025 11.016474517109025 11.016474517109025
|
|
E_HEAD : 14
|
|
14 (1.4036878727577988E-17,0.000006543365454522956)
|
|
14 (-2.248867758680717E-18,-5.839106325192245E-19)
|
|
14 (-4.705403547269199E-18,4.092726157978177E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 9.77613 -3.97310 -2.53881 )
|
|
( -3.97308 12.39761 -4.70929 )
|
|
( -2.53879 -4.70928 9.92589 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 9.77613 -3.97310 -2.53881 )
|
|
( -3.97308 12.39761 -4.70929 )
|
|
( -2.53879 -4.70928 9.92589 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 10.699874202 0.000000000 0.000000000 )
|
|
( 0.000000000 10.699874202 0.000000000 )
|
|
( 0.000000000 0.000000000 10.699874202 )
|
|
POLA SCA (0.2232486983065051,0.)
|
|
POLA SCA (0.22324869830650512,0.)
|
|
POLA SCA (0.22324869830650512,0.)
|
|
HEAD: 0.13917525773195874 10.699874202489243 10.699874202489243 10.699874202489243
|
|
E_HEAD : 15
|
|
15 (6.755071634136466E-18,0.0000063495893868097554)
|
|
15 (-1.1155520951433574E-18,3.5015579709840246E-18)
|
|
15 (-2.1120427726607078E-18,3.431921413721284E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 9.48693 -3.82988 -2.45179 )
|
|
( -3.82986 12.02247 -4.54258 )
|
|
( -2.45177 -4.54257 9.63410 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 9.48693 -3.82988 -2.45179 )
|
|
( -3.82986 12.02247 -4.54258 )
|
|
( -2.45177 -4.54257 9.63410 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 10.381165454 0.000000000 0.000000000 )
|
|
( 0.000000000 10.381165454 0.000000000 )
|
|
( 0.000000000 0.000000000 10.381165454 )
|
|
POLA SCA (0.2135204875575489,0.)
|
|
POLA SCA (0.2135204875575489,0.)
|
|
POLA SCA (0.21352048755754888,0.)
|
|
HEAD: 0.14948453608247422 10.381165454140367 10.381165454140369 10.381165454140367
|
|
E_HEAD : 16
|
|
16 (8.884471196845873E-18,0.0000061218172934144095)
|
|
16 (-8.1357143244531465E-19,-2.6917605920910233E-18)
|
|
16 (-2.99192365760953E-18,3.4106051316484815E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 9.19796 -3.68761 -2.36537 )
|
|
( -3.68758 11.64744 -4.37665 )
|
|
( -2.36534 -4.37664 9.34242 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 9.19796 -3.68761 -2.36537 )
|
|
( -3.68758 11.64744 -4.37665 )
|
|
( -2.36534 -4.37664 9.34242 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 10.062605579 0.000000000 0.000000000 )
|
|
( 0.000000000 10.062605579 0.000000000 )
|
|
( 0.000000000 0.000000000 10.062605579 )
|
|
POLA SCA (0.20393393514893743,0.)
|
|
POLA SCA (0.20393393514893737,0.)
|
|
POLA SCA (0.20393393514893743,0.)
|
|
HEAD: 0.15979381443298968 10.06260557935284 10.06260557935284 10.062605579352839
|
|
E_HEAD : 17
|
|
17 (9.042842711295832E-18,0.000005868864799924866)
|
|
17 (3.165467887811247E-18,-1.6382040716371795E-18)
|
|
17 (-5.854691731421724E-19,-4.2348347051301976E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 8.91095 -3.54718 -2.28007 )
|
|
( -3.54715 11.27484 -4.21255 )
|
|
( -2.28004 -4.21255 9.05261 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 8.91095 -3.54718 -2.28007 )
|
|
( -3.54715 11.27484 -4.21255 )
|
|
( -2.28004 -4.21255 9.05261 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 9.746132734 0.000000000 0.000000000 )
|
|
( 0.000000000 9.746132734 0.000000000 )
|
|
( 0.000000000 0.000000000 9.746132734 )
|
|
POLA SCA (0.19454815572114392,0.)
|
|
POLA SCA (0.19454815572114395,0.)
|
|
POLA SCA (0.19454815572114395,0.)
|
|
HEAD: 0.17010309278350513 9.74613273436438 9.746132734364382 9.74613273436438
|
|
E_HEAD : 18
|
|
18 (4.894221610796016E-18,0.000005598757704842882)
|
|
18 (1.968203378055478E-18,-2.354438191176471E-18)
|
|
18 (3.0830305214162025E-19,-1.6910917111090381E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 8.62737 -3.40933 -2.19629 )
|
|
( -3.40930 10.90663 -4.05118 )
|
|
( -2.19626 -4.05117 8.76615 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 8.62737 -3.40933 -2.19629 )
|
|
( -3.40930 10.90663 -4.05118 )
|
|
( -2.19626 -4.05117 8.76615 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 9.433382092 0.000000000 0.000000000 )
|
|
( 0.000000000 9.433382092 0.000000000 )
|
|
( 0.000000000 0.000000000 9.433382092 )
|
|
POLA SCA (0.18541014594604177,0.)
|
|
POLA SCA (0.18541014594604177,0.)
|
|
POLA SCA (0.18541014594604177,0.)
|
|
HEAD: 0.18041237113402062 9.433382091704477 9.433382091704479 9.433382091704479
|
|
E_HEAD : 19
|
|
19 (1.5650830493695403E-17,0.000005318575340841477)
|
|
19 (2.007283228522283E-18,2.1378095149161836E-18)
|
|
19 (3.0859104334368672E-18,3.375077994860476E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 8.34843 -3.27466 -2.11438 )
|
|
( -3.27464 10.54443 -3.89325 )
|
|
( -2.11435 -3.89324 8.48427 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 8.34843 -3.27466 -2.11438 )
|
|
( -3.27464 10.54443 -3.89325 )
|
|
( -2.11435 -3.89324 8.48427 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 9.125707942 0.000000000 0.000000000 )
|
|
( 0.000000000 9.125707942 0.000000000 )
|
|
( 0.000000000 0.000000000 9.125707942 )
|
|
POLA SCA (0.17655602547522647,0.)
|
|
POLA SCA (0.17655602547522647,0.)
|
|
POLA SCA (0.17655602547522647,0.)
|
|
HEAD: 0.19072164948453607 9.125707942257938 9.125707942257938 9.125707942257938
|
|
E_HEAD : 20
|
|
20 (4.409014944417295E-18,0.000005034376598780882)
|
|
20 (-5.069722419648316E-18,9.441283339980609E-19)
|
|
20 (9.412230109889786E-19,-4.142464149481385E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 8.07510 -3.14364 -2.03460 )
|
|
( -3.14362 10.18956 -3.73934 )
|
|
( -2.03457 -3.73933 8.20797 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 8.07510 -3.14364 -2.03460 )
|
|
( -3.14362 10.18956 -3.73934 )
|
|
( -2.03457 -3.73933 8.20797 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 8.824209271 0.000000000 0.000000000 )
|
|
( 0.000000000 8.824209271 0.000000000 )
|
|
( 0.000000000 0.000000000 8.824209271 )
|
|
POLA SCA (0.1680123553736439,0.)
|
|
POLA SCA (0.1680123553736439,0.)
|
|
POLA SCA (0.1680123553736439,0.)
|
|
HEAD: 0.20103092783505153 8.824209270712867 8.824209270712869 8.824209270712869
|
|
E_HEAD : 21
|
|
21 (1.6543128340205414E-18,0.000004751194358056154)
|
|
21 (1.1191048088221576E-18,1.1334910196862322E-18)
|
|
21 (3.7852208346900175E-18,9.80548975348939E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 7.94079 -3.07962 -1.99557 )
|
|
( -3.07959 10.01521 -3.66403 )
|
|
( -1.99554 -3.66402 8.07216 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 7.94079 -3.07962 -1.99557 )
|
|
( -3.07959 10.01521 -3.66403 )
|
|
( -1.99554 -3.66402 8.07216 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 8.676056028 0.000000000 0.000000000 )
|
|
( 0.000000000 8.676056028 0.000000000 )
|
|
( 0.000000000 0.000000000 8.676056028 )
|
|
POLA SCA (0.1638629508276495,0.)
|
|
POLA SCA (0.1638629508276495,0.)
|
|
POLA SCA (0.1638629508276495,0.)
|
|
HEAD: 0.20618556701030927 8.676056028045691 8.676056028045688 8.676056028045688
|
|
E_HEAD : 22
|
|
22 (7.846167598247502E-18,0.000004611287269931296)
|
|
22 (-1.5027978861326124E-18,-9.492613536584219E-19)
|
|
22 (6.343260335398004E-19,-3.105071755271638E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 7.80816 -3.01663 -1.95714 )
|
|
( -3.01661 9.84307 -3.58988 )
|
|
( -1.95711 -3.58988 7.93804 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 7.80816 -3.01663 -1.95714 )
|
|
( -3.01661 9.84307 -3.58988 )
|
|
( -1.95711 -3.58988 7.93804 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 8.529756873 0.000000000 0.000000000 )
|
|
( 0.000000000 8.529756873 0.000000000 )
|
|
( 0.000000000 0.000000000 8.529756873 )
|
|
POLA SCA (0.1597974545334684,0.)
|
|
POLA SCA (0.1597974545334684,0.)
|
|
POLA SCA (0.15979745453346844,0.)
|
|
HEAD: 0.211340206185567 8.529756873288953 8.529756873288951 8.529756873288948
|
|
E_HEAD : 23
|
|
23 (-4.530107710241934E-19,0.000004473081872579258)
|
|
23 (-5.71986902286881E-19,-1.452331161691696E-18)
|
|
23 (3.770448580089902E-18,-2.6432189770275734E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 7.54821 -2.89388 -1.88215 )
|
|
( -2.89386 9.50577 -3.44521 )
|
|
( -1.88212 -3.44521 7.67508 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 7.54821 -2.89388 -1.88215 )
|
|
( -2.89386 9.50577 -3.44521 )
|
|
( -1.88212 -3.44521 7.67508 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 8.243020574 0.000000000 0.000000000 )
|
|
( 0.000000000 8.243020574 0.000000000 )
|
|
( 0.000000000 0.000000000 8.243020574 )
|
|
POLA SCA (0.15192265863594434,0.)
|
|
POLA SCA (0.15192265863594434,0.)
|
|
POLA SCA (0.15192265863594434,0.)
|
|
HEAD: 0.22164948453608246 8.243020574400814 8.243020574400814 8.243020574400813
|
|
E_HEAD : 24
|
|
24 (2.341564994489255E-18,0.000004203194629484926)
|
|
24 (1.5383250229206171E-18,2.2618066680647406E-18)
|
|
24 (-1.543649783735182E-18,-1.2292389328649735E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 7.29568 -2.77556 -1.80972 )
|
|
( -2.77554 9.17826 -3.30556 )
|
|
( -1.80969 -3.30556 7.41955 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 7.29568 -2.77556 -1.80972 )
|
|
( -2.77554 9.17826 -3.30556 )
|
|
( -1.80969 -3.30556 7.41955 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 7.964495519 0.000000000 0.000000000 )
|
|
( 0.000000000 7.964495519 0.000000000 )
|
|
( 0.000000000 0.000000000 7.964495519 )
|
|
POLA SCA (0.1443934861056254,0.)
|
|
POLA SCA (0.14439348610562536,0.)
|
|
POLA SCA (0.1443934861056254,0.)
|
|
HEAD: 0.23195876288659792 7.964495519495798 7.964495519495795 7.964495519495795
|
|
E_HEAD : 25
|
|
25 (8.108208652196901E-18,0.000003943892884318445)
|
|
25 (6.217248937900875E-19,3.0704520821494762E-18)
|
|
25 (2.0307953723600752E-18,-1.6910917111090385E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 7.05088 -2.66177 -1.73990 )
|
|
( -2.66175 8.86095 -3.17107 )
|
|
( -1.73987 -3.17107 7.17175 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 7.05088 -2.66177 -1.73990 )
|
|
( -2.66175 8.86095 -3.17107 )
|
|
( -1.73987 -3.17107 7.17175 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 7.694526866 0.000000000 0.000000000 )
|
|
( 0.000000000 7.694526866 0.000000000 )
|
|
( 0.000000000 0.000000000 7.694526866 )
|
|
POLA SCA (0.13721069107123246,0.)
|
|
POLA SCA (0.1372106910712325,0.)
|
|
POLA SCA (0.1372106910712325,0.)
|
|
HEAD: 0.2422680412371134 7.694526866332315 7.694526866332313 7.694526866332315
|
|
E_HEAD : 26
|
|
26 (2.8539628643248818E-18,0.0000036968527679121194)
|
|
26 (-9.876544027065398E-19,1.2140523232995888E-19)
|
|
26 (-2.0159384144652347E-21,1.8403056856186595E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 6.81398 -2.55254 -1.67271 )
|
|
( -2.55253 8.55411 -3.04181 )
|
|
( -1.67269 -3.04181 6.93190 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 6.81398 -2.55254 -1.67271 )
|
|
( -2.55253 8.55411 -3.04181 )
|
|
( -1.67269 -3.04181 6.93190 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 7.433332468 0.000000000 0.000000000 )
|
|
( 0.000000000 7.433332468 0.000000000 )
|
|
( 0.000000000 0.000000000 7.433332468 )
|
|
POLA SCA (0.1303711949590508,0.)
|
|
POLA SCA (0.13037119495905078,0.)
|
|
POLA SCA (0.13037119495905078,0.)
|
|
HEAD: 0.25257731958762886 7.433332468299297 7.433332468299298 7.433332468299298
|
|
E_HEAD : 27
|
|
27 (3.924476314136454E-18,0.000003463176893379597)
|
|
27 (3.410605131648479E-19,2.140765659902101E-18)
|
|
27 (-2.1098743683157368E-18,3.709033080667723E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 6.58510 -2.44788 -1.60816 )
|
|
( -2.44787 8.25787 -2.91779 )
|
|
( -1.60814 -2.91779 6.70010 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 6.58510 -2.44788 -1.60816 )
|
|
( -2.44787 8.25787 -2.91779 )
|
|
( -1.60814 -2.91779 6.70010 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 7.181023349 0.000000000 0.000000000 )
|
|
( 0.000000000 7.181023349 0.000000000 )
|
|
( 0.000000000 0.000000000 7.181023349 )
|
|
POLA SCA (0.12386889657297451,0.)
|
|
POLA SCA (0.12386889657297451,0.)
|
|
POLA SCA (0.12386889657297455,0.)
|
|
HEAD: 0.26288659793814434 7.181023348549712 7.181023348549712 7.181023348549714
|
|
E_HEAD : 28
|
|
28 (6.1891523787925506E-18,0.000003243498290561775)
|
|
28 (2.0321522242738866E-18,-1.4151548856367047E-18)
|
|
28 (-1.324014140512142E-18,-5.684341886080817E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 6.36424 -2.34773 -1.54620 )
|
|
( -2.34772 7.97226 -2.79898 )
|
|
( -1.54619 -2.79898 6.47636 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 6.36424 -2.34773 -1.54620 )
|
|
( -2.34772 7.97226 -2.79898 )
|
|
( -1.54619 -2.79898 6.47636 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 6.937621913 0.000000000 0.000000000 )
|
|
( 0.000000000 6.937621913 0.000000000 )
|
|
( 0.000000000 0.000000000 6.937621913 )
|
|
POLA SCA (0.11769536600383956,0.)
|
|
POLA SCA (0.11769536600383956,0.)
|
|
POLA SCA (0.11769536600383956,0.)
|
|
HEAD: 0.2731958762886598 6.937621912764681 6.937621912764684 6.937621912764684
|
|
E_HEAD : 29
|
|
29 (2.6719710394033885E-18,0.000003038073979498165)
|
|
29 (-1.1119993814645569E-18,3.131895852143303E-18)
|
|
29 (1.455202603382888E-20,-9.947598300641408E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 6.15136 -2.25200 -1.48682 )
|
|
( -2.25199 7.69722 -2.68531 )
|
|
( -1.48681 -2.68530 6.26065 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 6.15136 -2.25200 -1.48682 )
|
|
( -2.25199 7.69722 -2.68531 )
|
|
( -1.48681 -2.68530 6.26065 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 6.703077952 0.000000000 0.000000000 )
|
|
( 0.000000000 6.703077952 0.000000000 )
|
|
( 0.000000000 0.000000000 6.703077952 )
|
|
POLA SCA (0.11184043107924237,0.)
|
|
POLA SCA (0.11184043107924238,0.)
|
|
POLA SCA (0.11184043107924235,0.)
|
|
HEAD: 0.28350515463917525 6.703077951804645 6.703077951804648 6.703077951804649
|
|
E_HEAD : 30
|
|
30 (1.1760207898953182E-18,0.0000028468664455754585)
|
|
30 (-5.329070518200753E-19,1.3168143604604805E-18)
|
|
30 (3.320538559826308E-19,-2.842170943040401E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 5.94636 -2.16059 -1.42993 )
|
|
( -2.16059 7.43262 -2.57665 )
|
|
( -1.42992 -2.57665 6.05287 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 5.94636 -2.16059 -1.42993 )
|
|
( -2.16059 7.43262 -2.57665 )
|
|
( -1.42992 -2.57665 6.05287 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 6.477282553 0.000000000 0.000000000 )
|
|
( 0.000000000 6.477282553 0.000000000 )
|
|
( 0.000000000 0.000000000 6.477282553 )
|
|
POLA SCA (0.10629266686001415,0.)
|
|
POLA SCA (0.10629266686001415,0.)
|
|
POLA SCA (0.10629266686001416,0.)
|
|
HEAD: 0.29381443298969073 6.477282553202506 6.477282553202509 6.477282553202508
|
|
E_HEAD : 31
|
|
31 (2.6818806196633047E-18,0.0000026696126915036867)
|
|
31 (-1.0480505352461478E-18,2.934206832583622E-19)
|
|
31 (-1.5687388996328544E-18,-4.867217739956686E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 5.74909 -2.07338 -1.37548 )
|
|
( -2.07338 7.17827 -2.47289 )
|
|
( -1.37548 -2.47289 5.85288 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 5.74909 -2.07338 -1.37548 )
|
|
( -2.07338 7.17827 -2.47289 )
|
|
( -1.37548 -2.47289 5.85288 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 6.260080081 0.000000000 0.000000000 )
|
|
( 0.000000000 6.260080081 0.000000000 )
|
|
( 0.000000000 0.000000000 6.260080081 )
|
|
POLA SCA (0.10103979936476543,0.)
|
|
POLA SCA (0.1010397993647654,0.)
|
|
POLA SCA (0.10103979936476543,0.)
|
|
HEAD: 0.3041237113402062 6.260080081040123 6.260080081040125 6.260080081040123
|
|
E_HEAD : 32
|
|
32 (6.51042365764862E-18,0.0000025058814754116274)
|
|
32 (-1.8580692540126617E-18,-2.106570939821445E-19)
|
|
32 (-2.3950703616562596E-18,1.4566126083082064E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 4.09205 -1.37305 -0.93061 )
|
|
( -1.37305 5.05481 -1.63691 )
|
|
( -0.93061 -1.63691 4.17115 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 4.09205 -1.37305 -0.93061 )
|
|
( -1.37305 5.05481 -1.63691 )
|
|
( -0.93061 -1.63691 4.17115 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 4.439334283 0.000000000 0.000000000 )
|
|
( 0.000000000 4.439334283 0.000000000 )
|
|
( 0.000000000 0.000000000 4.439334283 )
|
|
POLA SCA (0.060482034817868804,0.)
|
|
POLA SCA (0.06048203481786881,0.)
|
|
POLA SCA (0.06048203481786881,0.)
|
|
HEAD: 0.41237113402061853 4.439334283390509 4.439334283390509 4.439334283390509
|
|
E_HEAD : 33
|
|
33 (3.5052830903935974E-18,0.0000014368268032280584)
|
|
33 (3.1956659540810506E-18,1.7832245825365885E-18)
|
|
33 (1.2719385549149476E-18,2.7178259642823838E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 2.34018 -0.70908 -0.49171 )
|
|
( -0.70908 2.84677 -0.84234 )
|
|
( -0.49172 -0.84234 2.38914 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 2.34018 -0.70908 -0.49171 )
|
|
( -0.70908 2.84677 -0.84234 )
|
|
( -0.49172 -0.84234 2.38914 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 2.525362932 0.000000000 0.000000000 )
|
|
( 0.000000000 2.525362932 0.000000000 )
|
|
( 0.000000000 0.000000000 2.525362932 )
|
|
POLA SCA (0.025735887170019362,0.)
|
|
POLA SCA (0.025735887170019362,0.)
|
|
POLA SCA (0.02573588717001936,0.)
|
|
HEAD: 0.6185567010309279 2.5253629324966957 2.525362932496696 2.5253629324966957
|
|
E_HEAD : 34
|
|
34 (3.588594300833422E-18,8.478742441702991E-7)
|
|
34 (-1.185718190299667E-18,-1.4196483954218888E-18)
|
|
34 (-1.6057881207457575E-18,-1.1368683772161604E-18)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 1.48434 -0.42108 -0.29473 )
|
|
( -0.42108 1.78816 -0.49867 )
|
|
( -0.29473 -0.49867 1.51668 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 1.48434 -0.42108 -0.29473 )
|
|
( -0.42108 1.78816 -0.49867 )
|
|
( -0.29473 -0.49867 1.51668 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 1.596394562 0.000000000 0.000000000 )
|
|
( 0.000000000 1.596394562 0.000000000 )
|
|
( 0.000000000 0.000000000 1.596394562 )
|
|
POLA SCA (0.0126743412511129,0.)
|
|
POLA SCA (0.012674341251112903,0.)
|
|
POLA SCA (0.012674341251112903,0.)
|
|
HEAD: 0.8247422680412371 1.596394562265912 1.5963945622659124 1.5963945622659124
|
|
E_HEAD : 35
|
|
35 (2.336951248832636E-18,5.532226805555639E-7)
|
|
35 (-2.4291679778798433E-19,2.8916646028077745E-19)
|
|
35 (-6.365240840379254E-19,4.991562718714703E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 1.01673 -0.27610 -0.19402 )
|
|
( -0.27610 1.21711 -0.32633 )
|
|
( -0.19402 -0.32633 1.03936 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 1.01673 -0.27610 -0.19402 )
|
|
( -0.27610 1.21711 -0.32633 )
|
|
( -0.19402 -0.32633 1.03936 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 1.091066192 0.000000000 0.000000000 )
|
|
( 0.000000000 1.091066192 0.000000000 )
|
|
( 0.000000000 0.000000000 1.091066192 )
|
|
POLA SCA (0.006971997687153732,0.)
|
|
POLA SCA (0.0069719976871537356,0.)
|
|
POLA SCA (0.006971997687153732,0.)
|
|
HEAD: 1.0309278350515463 1.0910661924060532 1.0910661924060527 1.0910661924060532
|
|
E_HEAD : 36
|
|
36 (1.748433256318286E-18,3.4117464535282945E-7)
|
|
36 (-7.314149286230532E-19,-6.430631783907286E-19)
|
|
36 (9.985036140470507E-20,2.27373675443232E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.73694 -0.19417 -0.13670 )
|
|
( -0.19417 0.87841 -0.22921 )
|
|
( -0.13670 -0.22921 0.75353 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.73694 -0.19417 -0.13670 )
|
|
( -0.19417 0.87841 -0.22921 )
|
|
( -0.13670 -0.22921 0.75353 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.789630117 0.000000000 0.000000000 )
|
|
( 0.000000000 0.789630117 0.000000000 )
|
|
( 0.000000000 0.000000000 0.789630117 )
|
|
POLA SCA (0.004169074492942015,0.)
|
|
POLA SCA (0.004169074492942015,0.)
|
|
POLA SCA (0.004169074492942015,0.)
|
|
HEAD: 1.2371134020618557 0.7896301171014134 0.7896301171014138 0.7896301171014136
|
|
E_HEAD : 37
|
|
37 (1.0744046100129814E-18,2.11543714001202E-7)
|
|
37 (3.6654013157999536E-19,-7.630919821813992E-20)
|
|
37 (7.045620055261271E-20,5.524469770534779E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.55743 -0.14371 -0.10128 )
|
|
( -0.14371 0.66242 -0.16950 )
|
|
( -0.10128 -0.16950 0.57006 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.55743 -0.14371 -0.10128 )
|
|
( -0.14371 0.66242 -0.16950 )
|
|
( -0.10128 -0.16950 0.57006 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.596634048 0.000000000 0.000000000 )
|
|
( 0.000000000 0.596634048 0.000000000 )
|
|
( 0.000000000 0.000000000 0.596634048 )
|
|
POLA SCA (0.002659535634714681,0.)
|
|
POLA SCA (0.0026595356347146808,0.)
|
|
POLA SCA (0.0026595356347146808,0.)
|
|
HEAD: 1.443298969072165 0.5966340477426842 0.5966340477426842 0.5966340477426842
|
|
E_HEAD : 38
|
|
38 (1.796505030006115E-18,1.3433088379661129E-7)
|
|
38 (1.6414647419082937E-19,4.774523553347518E-19)
|
|
38 (-3.3560292403162637E-19,-3.5527136788005016E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.43583 -0.11054 -0.07795 )
|
|
( -0.11054 0.51674 -0.13031 )
|
|
( -0.07795 -0.13031 0.44573 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.43583 -0.11054 -0.07795 )
|
|
( -0.11054 0.51674 -0.13031 )
|
|
( -0.07795 -0.13031 0.44573 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.466100792 0.000000000 0.000000000 )
|
|
( 0.000000000 0.466100792 0.000000000 )
|
|
( 0.000000000 0.000000000 0.466100792 )
|
|
POLA SCA (0.0017859368258699628,0.)
|
|
POLA SCA (0.001785936825869963,0.)
|
|
POLA SCA (0.0017859368258699632,0.)
|
|
HEAD: 1.6494845360824741 0.46610079175047353 0.4661007917504736 0.4661007917504736
|
|
E_HEAD : 39
|
|
39 (9.30975742636825E-19,8.648819645584103E-8)
|
|
39 (1.176836406102668E-20,-4.114790766554825E-19)
|
|
39 (-1.9312668834753268E-19,-6.927791673660978E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.34984 -0.08762 -0.06181 )
|
|
( -0.08762 0.41407 -0.10325 )
|
|
( -0.06181 -0.10325 0.35779 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.34984 -0.08762 -0.06181 )
|
|
( -0.08762 0.41407 -0.10325 )
|
|
( -0.06181 -0.10325 0.35779 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.373899758 0.000000000 0.000000000 )
|
|
( 0.000000000 0.373899758 0.000000000 )
|
|
( 0.000000000 0.000000000 0.373899758 )
|
|
POLA SCA (0.001250163470065035,0.)
|
|
POLA SCA (0.0012501634700650347,0.)
|
|
POLA SCA (0.0012501634700650345,0.)
|
|
HEAD: 1.8556701030927834 0.3738997576207724 0.37389975762077227 0.37389975762077227
|
|
E_HEAD : 40
|
|
40 (8.669717167559193E-19,5.560148447751168E-8)
|
|
40 (4.0634162701280724E-20,6.685101657086158E-20)
|
|
40 (1.0704431810485424E-19,1.1279865930191593E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.28688 -0.07113 -0.05019 )
|
|
( -0.07113 0.33908 -0.08380 )
|
|
( -0.05019 -0.08380 0.29340 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.28688 -0.07113 -0.05019 )
|
|
( -0.07113 0.33908 -0.08380 )
|
|
( -0.05019 -0.08380 0.29340 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.306452676 0.000000000 0.000000000 )
|
|
( 0.000000000 0.306452676 0.000000000 )
|
|
( 0.000000000 0.000000000 0.306452676 )
|
|
POLA SCA (0.0009055016550029982,0.)
|
|
POLA SCA (0.0009055016550029982,0.)
|
|
POLA SCA (0.000905501655002998,0.)
|
|
HEAD: 2.0618556701030926 0.3064526759430489 0.30645267594304887 0.30645267594304887
|
|
E_HEAD : 41
|
|
41 (4.029210506746738E-19,3.509171858427607E-8)
|
|
41 (1.8318679906315053E-20,6.243903370685075E-20)
|
|
41 (-9.674175048828178E-21,-3.8369307731045413E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.23944 -0.05888 -0.04156 )
|
|
( -0.05888 0.28269 -0.06935 )
|
|
( -0.04156 -0.06935 0.24488 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.23944 -0.05888 -0.04156 )
|
|
( -0.05888 0.28269 -0.06935 )
|
|
( -0.04156 -0.06935 0.24488 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.255671775 0.000000000 0.000000000 )
|
|
( 0.000000000 0.255671775 0.000000000 )
|
|
( 0.000000000 0.000000000 0.255671775 )
|
|
POLA SCA (0.0006747517905586059,0.)
|
|
POLA SCA (0.0006747517905586057,0.)
|
|
POLA SCA (0.0006747517905586059,0.)
|
|
HEAD: 2.268041237113402 0.25567177500930494 0.2556717750093048 0.2556717750093049
|
|
E_HEAD : 42
|
|
42 (7.439658326456423E-19,2.121700080632394E-8)
|
|
42 (-3.1752378504279483E-19,-2.8811825700855027E-20)
|
|
42 (2.6191476338964646E-19,2.930988785010414E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.20284 -0.04954 -0.03497 )
|
|
( -0.04954 0.23925 -0.05834 )
|
|
( -0.03497 -0.05834 0.20744 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.20284 -0.04954 -0.03497 )
|
|
( -0.04954 0.23925 -0.05834 )
|
|
( -0.03497 -0.05834 0.20744 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.216507502 0.000000000 0.000000000 )
|
|
( 0.000000000 0.216507502 0.000000000 )
|
|
( 0.000000000 0.000000000 0.216507502 )
|
|
POLA SCA (0.0005149609387017375,0.)
|
|
POLA SCA (0.0005149609387017375,0.)
|
|
POLA SCA (0.0005149609387017377,0.)
|
|
HEAD: 2.4742268041237114 0.21650750193807802 0.21650750193807802 0.21650750193807808
|
|
E_HEAD : 43
|
|
43 (6.59016103102685E-19,1.1707409738562545E-8)
|
|
43 (1.4144241333724494E-19,1.4540273451685726E-19)
|
|
43 (-9.156532038937394E-20,1.8829382497642655E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.17401 -0.04225 -0.02983 )
|
|
( -0.04225 0.20508 -0.04975 )
|
|
( -0.02983 -0.04975 0.17795 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.17401 -0.04225 -0.02983 )
|
|
( -0.04225 0.20508 -0.04975 )
|
|
( -0.02983 -0.04975 0.17795 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.185680295 0.000000000 0.000000000 )
|
|
( 0.000000000 0.185680295 0.000000000 )
|
|
( 0.000000000 0.000000000 0.185680295 )
|
|
POLA SCA (0.0004010715857886008,0.)
|
|
POLA SCA (0.00040107158578860075,0.)
|
|
POLA SCA (0.0004010715857886007,0.)
|
|
HEAD: 2.6804123711340204 0.18568029491650673 0.18568029491650676 0.18568029491650684
|
|
E_HEAD : 44
|
|
44 (5.836181375504253E-19,5.128655416824835E-9)
|
|
44 (8.08242361927114E-20,-2.2620014856426092E-20)
|
|
44 (5.2733359620296553E-20,-1.0924594562311543E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.15091 -0.03646 -0.02574 )
|
|
( -0.03646 0.17773 -0.04293 )
|
|
( -0.02574 -0.04293 0.15432 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.15091 -0.03646 -0.02574 )
|
|
( -0.03646 0.17773 -0.04293 )
|
|
( -0.02574 -0.04293 0.15432 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.160987567 0.000000000 0.000000000 )
|
|
( 0.000000000 0.160987567 0.000000000 )
|
|
( 0.000000000 0.000000000 0.160987567 )
|
|
POLA SCA (0.0003178579032850187,0.)
|
|
POLA SCA (0.00031785790328501867,0.)
|
|
POLA SCA (0.0003178579032850188,0.)
|
|
HEAD: 2.88659793814433 0.16098756661105462 0.1609875666110546 0.16098756661105462
|
|
E_HEAD : 45
|
|
45 (5.778124581779356E-19,5.506654744809038E-10)
|
|
45 (-3.241851231905457E-20,1.1134777487249813E-20)
|
|
45 (1.4963392878618852E-19,-3.5971225997855086E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.13211 -0.03178 -0.02244 )
|
|
( -0.03178 0.15551 -0.03741 )
|
|
( -0.02244 -0.03741 0.13510 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.13211 -0.03178 -0.02244 )
|
|
( -0.03178 0.15551 -0.03741 )
|
|
( -0.02244 -0.03741 0.13510 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.140906836 0.000000000 0.000000000 )
|
|
( 0.000000000 0.140906836 0.000000000 )
|
|
( 0.000000000 0.000000000 0.140906836 )
|
|
POLA SCA (0.00025573430815399427,0.)
|
|
POLA SCA (0.00025573430815399416,0.)
|
|
POLA SCA (0.0002557343081539943,0.)
|
|
HEAD: 3.092783505154639 0.14090683599997886 0.14090683599997889 0.14090683599997886
|
|
E_HEAD : 46
|
|
46 (5.197768698288526E-19,-2.641625175355599E-9)
|
|
46 (-8.504308368628698E-20,2.7716506220936807E-20)
|
|
46 (3.870186180233504E-20,-3.5971225997855056E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.11662 -0.02795 -0.01973 )
|
|
( -0.02795 0.13720 -0.03290 )
|
|
( -0.01973 -0.03290 0.11925 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.11662 -0.02795 -0.01973 )
|
|
( -0.02795 0.13720 -0.03290 )
|
|
( -0.01973 -0.03290 0.11925 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.124359112 0.000000000 0.000000000 )
|
|
( 0.000000000 0.124359112 0.000000000 )
|
|
( 0.000000000 0.000000000 0.124359112 )
|
|
POLA SCA (0.00020847546916330555,0.)
|
|
POLA SCA (0.00020847546916330555,0.)
|
|
POLA SCA (0.00020847546916330555,0.)
|
|
HEAD: 3.2989690721649483 0.12435911181441574 0.12435911181441571 0.12435911181441577
|
|
E_HEAD : 47
|
|
47 (6.838812875684274E-19,-4.862025770005386E-9)
|
|
47 (-4.629630012686903E-20,-6.594627950407559E-20)
|
|
47 (1.1228215809243802E-20,-1.1102230246251566E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.10370 -0.02477 -0.01749 )
|
|
( -0.02477 0.12194 -0.02915 )
|
|
( -0.01749 -0.02915 0.10604 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.10370 -0.02477 -0.01749 )
|
|
( -0.02477 0.12194 -0.02915 )
|
|
( -0.01749 -0.02915 0.10604 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.110562801 0.000000000 0.000000000 )
|
|
( 0.000000000 0.110562801 0.000000000 )
|
|
( 0.000000000 0.000000000 0.110562801 )
|
|
POLA SCA (0.0001719257431092853,0.)
|
|
POLA SCA (0.0001719257431092853,0.)
|
|
POLA SCA (0.00017192574310928528,0.)
|
|
HEAD: 3.5051546391752577 0.11056280090849552 0.1105628009084955 0.11056280090849546
|
|
E_HEAD : 48
|
|
48 (4.1375776483831525E-19,-6.393394861642587E-9)
|
|
48 (-5.695444116327054E-20,-1.8211949519796304E-19)
|
|
48 (9.784381976199843E-20,-2.495781359357352E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.09282 -0.02210 -0.01561 )
|
|
( -0.02210 0.10910 -0.02601 )
|
|
( -0.01561 -0.02601 0.09491 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.09282 -0.02210 -0.01561 )
|
|
( -0.02210 0.10910 -0.02601 )
|
|
( -0.01561 -0.02601 0.09491 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.098940706 0.000000000 0.000000000 )
|
|
( 0.000000000 0.098940706 0.000000000 )
|
|
( 0.000000000 0.000000000 0.098940706 )
|
|
POLA SCA (0.00014324253035252662,0.)
|
|
POLA SCA (0.00014324253035252662,0.)
|
|
POLA SCA (0.0001432425303525266,0.)
|
|
HEAD: 3.7113402061855667 0.0989407059335004 0.09894070593350039 0.0989407059335004
|
|
E_HEAD : 49
|
|
49 (3.2829953053362273E-19,-7.431918863145093E-9)
|
|
49 (1.906252933281394E-19,3.2640414622444467E-20)
|
|
49 (6.42461255602586E-21,5.773159728050815E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.08356 -0.01984 -0.01401 )
|
|
( -0.01984 0.09818 -0.02335 )
|
|
( -0.01401 -0.02335 0.08544 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.08356 -0.01984 -0.01401 )
|
|
( -0.01984 0.09818 -0.02335 )
|
|
( -0.01401 -0.02335 0.08544 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.089059200 0.000000000 0.000000000 )
|
|
( 0.000000000 0.089059200 0.000000000 )
|
|
( 0.000000000 0.000000000 0.089059200 )
|
|
POLA SCA (0.00012043854926580218,0.)
|
|
POLA SCA (0.00012043854926580215,0.)
|
|
POLA SCA (0.0001204385492658021,0.)
|
|
HEAD: 3.917525773195876 0.08905919979867556 0.08905919979867556 0.08905919979867559
|
|
E_HEAD : 50
|
|
50 (4.008167841693459E-19,-8.115472685779945E-9)
|
|
50 (3.430589146091734E-20,-3.555420796099926E-20)
|
|
50 (1.0823790664154376E-19,1.616484723854228E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.07562 -0.01791 -0.01265 )
|
|
( -0.01791 0.08882 -0.02108 )
|
|
( -0.01265 -0.02108 0.07732 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.07562 -0.01791 -0.01265 )
|
|
( -0.01791 0.08882 -0.02108 )
|
|
( -0.01265 -0.02108 0.07732 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.080587479 0.000000000 0.000000000 )
|
|
( 0.000000000 0.080587479 0.000000000 )
|
|
( 0.000000000 0.000000000 0.080587479 )
|
|
POLA SCA (0.00010209705199221344,0.)
|
|
POLA SCA (0.00010209705199221344,0.)
|
|
POLA SCA (0.00010209705199221345,0.)
|
|
HEAD: 4.123711340206185 0.0805874786927397 0.0805874786927397 0.0805874786927397
|
|
E_HEAD : 51
|
|
51 (3.9267074312747915E-19,-8.542091383898277E-9)
|
|
51 (-4.796163466380676E-20,-7.485918369155896E-21)
|
|
51 (1.4351782151142044E-20,4.307665335545606E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.06876 -0.01625 -0.01148 )
|
|
( -0.01625 0.08074 -0.01912 )
|
|
( -0.01148 -0.01912 0.07030 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.06876 -0.01625 -0.01148 )
|
|
( -0.01625 0.08074 -0.01912 )
|
|
( -0.01148 -0.01912 0.07030 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.073269674 0.000000000 0.000000000 )
|
|
( 0.000000000 0.073269674 0.000000000 )
|
|
( 0.000000000 0.000000000 0.073269674 )
|
|
POLA SCA (0.00008719009480275848,0.)
|
|
POLA SCA (0.00008719009480275848,0.)
|
|
POLA SCA (0.00008719009480275848,0.)
|
|
HEAD: 4.329896907216495 0.0732696738595597 0.0732696738595597 0.0732696738595597
|
|
E_HEAD : 52
|
|
52 (3.960252847083056E-19,-8.782201468875872E-9)
|
|
52 (5.1070259132757214E-20,-1.6429792198773257E-21)
|
|
52 (3.260997437590251E-20,-1.465494392505207E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.06280 -0.01481 -0.01046 )
|
|
( -0.01481 0.07372 -0.01743 )
|
|
( -0.01046 -0.01743 0.06420 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.06280 -0.01481 -0.01046 )
|
|
( -0.01481 0.07372 -0.01743 )
|
|
( -0.01046 -0.01743 0.06420 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.066905392 0.000000000 0.000000000 )
|
|
( 0.000000000 0.066905392 0.000000000 )
|
|
( 0.000000000 0.000000000 0.066905392 )
|
|
POLA SCA (0.00007495987937214155,0.)
|
|
POLA SCA (0.00007495987937214152,0.)
|
|
POLA SCA (0.00007495987937214152,0.)
|
|
HEAD: 4.536082474226804 0.0669053923630429 0.0669053923630429 0.06690539236304288
|
|
E_HEAD : 53
|
|
53 (3.88865635741176E-19,-8.886849180209656E-9)
|
|
53 (5.007105841059457E-20,-1.3385767544578115E-21)
|
|
53 (-4.673768984271619E-21,-1.0658141036401503E-19)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.05758 -0.01355 -0.00957 )
|
|
( -0.01355 0.06757 -0.01595 )
|
|
( -0.00957 -0.01595 0.05886 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.05758 -0.01355 -0.00957 )
|
|
( -0.01355 0.06757 -0.01595 )
|
|
( -0.00957 -0.01595 0.05886 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.061335900 0.000000000 0.000000000 )
|
|
( 0.000000000 0.061335900 0.000000000 )
|
|
( 0.000000000 0.000000000 0.061335900 )
|
|
POLA SCA (0.00006483964198453982,0.)
|
|
POLA SCA (0.0000648396419845398,0.)
|
|
POLA SCA (0.00006483964198453984,0.)
|
|
HEAD: 4.742268041237113 0.06133590029604069 0.06133590029604066 0.06133590029604064
|
|
E_HEAD : 54
|
|
54 (2.820046889099897E-19,-8.893317905042777E-9)
|
|
54 (3.241851231905457E-20,1.709418366677585E-20)
|
|
54 (-2.9109875419170133E-20,-3.552713678800501E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.05298 -0.01245 -0.00879 )
|
|
( -0.01245 0.06216 -0.01465 )
|
|
( -0.00879 -0.01465 0.05416 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.05298 -0.01245 -0.00879 )
|
|
( -0.01245 0.06216 -0.01465 )
|
|
( -0.00879 -0.01465 0.05416 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.056434156 0.000000000 0.000000000 )
|
|
( 0.000000000 0.056434156 0.000000000 )
|
|
( 0.000000000 0.000000000 0.056434156 )
|
|
POLA SCA (0.00005639989566055209,0.)
|
|
POLA SCA (0.00005639989566055209,0.)
|
|
POLA SCA (0.000056399895660552086,0.)
|
|
HEAD: 4.948453608247423 0.05643415561413703 0.05643415561413704 0.056434155614137026
|
|
E_HEAD : 55
|
|
55 (2.94862299488438E-19,-8.82901517590118E-9)
|
|
55 (4.8072656966269285E-20,-1.3517587046994566E-20)
|
|
55 (-9.700214694511347E-21,-1.731947918415244E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.04891 -0.01148 -0.00810 )
|
|
( -0.01148 0.05738 -0.01350 )
|
|
( -0.00810 -0.01350 0.05000 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.04891 -0.01148 -0.00810 )
|
|
( -0.01148 0.05738 -0.01350 )
|
|
( -0.00810 -0.01350 0.05000 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.052097513 0.000000000 0.000000000 )
|
|
( 0.000000000 0.052097513 0.000000000 )
|
|
( 0.000000000 0.000000000 0.052097513 )
|
|
POLA SCA (0.00004931125788841558,0.)
|
|
POLA SCA (0.00004931125788841558,0.)
|
|
POLA SCA (0.00004931125788841558,0.)
|
|
HEAD: 5.154639175257731 0.052097513285624016 0.052097513285624 0.05209751328562403
|
|
E_HEAD : 56
|
|
56 (2.6249444109680087E-19,-8.714195431561267E-9)
|
|
56 (1.0991207943789057E-20,-5.788146705503059E-20)
|
|
56 (5.208554485176953E-20,4.973799150320702E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.04530 -0.01061 -0.00749 )
|
|
( -0.01061 0.05312 -0.01249 )
|
|
( -0.00749 -0.01249 0.04631 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.04530 -0.01061 -0.00749 )
|
|
( -0.01061 0.05312 -0.01249 )
|
|
( -0.00749 -0.01249 0.04631 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.048242315 0.000000000 0.000000000 )
|
|
( 0.000000000 0.048242315 0.000000000 )
|
|
( 0.000000000 0.000000000 0.048242315 )
|
|
POLA SCA (0.000043318332288235834,0.)
|
|
POLA SCA (0.00004331833228823583,0.)
|
|
POLA SCA (0.00004331833228823584,0.)
|
|
HEAD: 5.360824742268041 0.048242315086365624 0.04824231508636561 0.04824231508636564
|
|
E_HEAD : 57
|
|
57 (2.273100888996452E-19,-8.563888567836744E-9)
|
|
57 (1.2656542480726785E-20,4.055143765200361E-20)
|
|
57 (9.909458302262762E-21,5.817568649035821E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.04207 -0.00984 -0.00695 )
|
|
( -0.00984 0.04933 -0.01158 )
|
|
( -0.00695 -0.01158 0.04301 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.04207 -0.00984 -0.00695 )
|
|
( -0.00984 0.04933 -0.01158 )
|
|
( -0.00695 -0.01158 0.04301 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.044799828 0.000000000 0.000000000 )
|
|
( 0.000000000 0.044799828 0.000000000 )
|
|
( 0.000000000 0.000000000 0.044799828 )
|
|
POLA SCA (0.00003822108485047862,0.)
|
|
POLA SCA (0.000038221084850478625,0.)
|
|
POLA SCA (0.000038221084850478625,0.)
|
|
HEAD: 5.56701030927835 0.04479982797555862 0.0447998279755586 0.04479982797555861
|
|
E_HEAD : 58
|
|
58 (2.326558015167253E-19,-8.389279854363218E-9)
|
|
58 (2.19824158875781E-20,2.8025143851092594E-20)
|
|
58 (-1.4645034221904344E-20,-5.773159728050815E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.03917 -0.00915 -0.00646 )
|
|
( -0.00915 0.04592 -0.01077 )
|
|
( -0.00646 -0.01077 0.04004 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.03917 -0.00915 -0.00646 )
|
|
( -0.00915 0.04592 -0.01077 )
|
|
( -0.00646 -0.01077 0.04004 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.041713160 0.000000000 0.000000000 )
|
|
( 0.000000000 0.041713160 0.000000000 )
|
|
( 0.000000000 0.000000000 0.041713160 )
|
|
POLA SCA (0.000033861382574765914,0.)
|
|
POLA SCA (0.00003386138257476593,0.)
|
|
POLA SCA (0.00003386138257476597,0.)
|
|
HEAD: 5.77319587628866 0.04171316045335332 0.04171316045335332 0.04171316045335332
|
|
E_HEAD : 59
|
|
59 (1.8422638876209577E-19,-8.198706441483573E-9)
|
|
59 (3.9301895071730546E-20,3.056809557742761E-20)
|
|
59 (2.435898011458407E-20,4.7517545453956705E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.03657 -0.00853 -0.00603 )
|
|
( -0.00853 0.04286 -0.01004 )
|
|
( -0.00603 -0.01004 0.03738 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.03657 -0.00853 -0.00603 )
|
|
( -0.00853 0.04286 -0.01004 )
|
|
( -0.00603 -0.01004 0.03738 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.038934897 0.000000000 0.000000000 )
|
|
( 0.000000000 0.038934897 0.000000000 )
|
|
( 0.000000000 0.000000000 0.038934897 )
|
|
POLA SCA (0.000030113140546157572,0.)
|
|
POLA SCA (0.000030113140546157575,0.)
|
|
POLA SCA (0.00003011314054615749,0.)
|
|
HEAD: 5.979381443298969 0.03893489695794911 0.038934896957949106 0.0389348969579491
|
|
E_HEAD : 60
|
|
60 (1.7087387463555174E-19,-7.998383129929288E-9)
|
|
60 (1.8873791418627684E-21,2.8771459286962436E-20)
|
|
60 (-3.750301239694969E-20,3.04201108747293E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.03421 -0.00797 -0.00563 )
|
|
( -0.00797 0.04009 -0.00938 )
|
|
( -0.00563 -0.00938 0.03497 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.03421 -0.00797 -0.00563 )
|
|
( -0.00797 0.04009 -0.00938 )
|
|
( -0.00563 -0.00938 0.03497 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.036425266 0.000000000 0.000000000 )
|
|
( 0.000000000 0.036425266 0.000000000 )
|
|
( 0.000000000 0.000000000 0.036425266 )
|
|
POLA SCA (0.000026875025761933374,0.)
|
|
POLA SCA (0.000026875025761933374,0.)
|
|
POLA SCA (0.000026875025761933374,0.)
|
|
HEAD: 6.185567010309278 0.03642526551840835 0.03642526551840833 0.036425265518408335
|
|
E_HEAD : 61
|
|
61 (1.835531884564141E-19,-7.792935056934016E-9)
|
|
61 (2.6201263381153693E-20,-2.8345163486477112E-21)
|
|
61 (2.5180006503379704E-20,-3.419486915845483E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.03208 -0.00747 -0.00527 )
|
|
( -0.00747 0.03759 -0.00879 )
|
|
( -0.00527 -0.00879 0.03279 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.03208 -0.00747 -0.00527 )
|
|
( -0.00747 0.03759 -0.00879 )
|
|
( -0.00527 -0.00879 0.03279 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.034150706 0.000000000 0.000000000 )
|
|
( 0.000000000 0.034150706 0.000000000 )
|
|
( 0.000000000 0.000000000 0.034150706 )
|
|
POLA SCA (0.000024064995562430345,0.)
|
|
POLA SCA (0.000024064995562430345,0.)
|
|
POLA SCA (0.000024064995562430345,0.)
|
|
HEAD: 6.391752577319587 0.03415070566551413 0.03415070566551414 0.03415070566551413
|
|
E_HEAD : 62
|
|
62 (2.1011304399681314E-19,-7.585791469904013E-9)
|
|
62 (-1.587618925213974E-20,6.335012352074116E-21)
|
|
62 (4.4935097851840637E-20,-3.486100297322992E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.03014 -0.00701 -0.00495 )
|
|
( -0.00701 0.03531 -0.00825 )
|
|
( -0.00495 -0.00825 0.03080 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.03014 -0.00701 -0.00495 )
|
|
( -0.00701 0.03531 -0.00825 )
|
|
( -0.00495 -0.00825 0.03080 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.032082740 0.000000000 0.000000000 )
|
|
( 0.000000000 0.032082740 0.000000000 )
|
|
( 0.000000000 0.000000000 0.032082740 )
|
|
POLA SCA (0.000021616168059304033,0.)
|
|
POLA SCA (0.00002161616805930403,0.)
|
|
POLA SCA (0.000021616168059304033,0.)
|
|
HEAD: 6.597938144329897 0.032082739763643724 0.03208273976364372 0.03208273976364372
|
|
E_HEAD : 63
|
|
63 (2.0075106169872213E-19,-7.3794787054866094E-9)
|
|
63 (1.7208456881689932E-20,-2.8512452493559836E-20)
|
|
63 (2.1272769249148725E-21,-3.1086244689504386E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.02837 -0.00659 -0.00466 )
|
|
( -0.00659 0.03323 -0.00775 )
|
|
( -0.00466 -0.00775 0.02900 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.02837 -0.00659 -0.00466 )
|
|
( -0.00659 0.03323 -0.00775 )
|
|
( -0.00466 -0.00775 0.02900 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.030197076 0.000000000 0.000000000 )
|
|
( 0.000000000 0.030197076 0.000000000 )
|
|
( 0.000000000 0.000000000 0.030197076 )
|
|
POLA SCA (0.000019473670314647987,0.)
|
|
POLA SCA (0.000019473670314647987,0.)
|
|
POLA SCA (0.000019473670314647987,0.)
|
|
HEAD: 6.804123711340206 0.030197076491883214 0.030197076491883208 0.0301970764918832
|
|
E_HEAD : 64
|
|
64 (1.925872466875686E-19,-7.1758394840855125E-9)
|
|
64 (3.869127240818671E-20,6.4236861137398004E-21)
|
|
64 (1.7912000594794775E-20,8.881784197001253E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.02675 -0.00621 -0.00439 )
|
|
( -0.00621 0.03133 -0.00731 )
|
|
( -0.00439 -0.00731 0.02734 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.02675 -0.00621 -0.00439 )
|
|
( -0.00621 0.03133 -0.00731 )
|
|
( -0.00439 -0.00731 0.02734 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.028472893 0.000000000 0.000000000 )
|
|
( 0.000000000 0.028472893 0.000000000 )
|
|
( 0.000000000 0.000000000 0.028472893 )
|
|
POLA SCA (0.000017592211630735597,0.)
|
|
POLA SCA (0.000017592211630735597,0.)
|
|
POLA SCA (0.000017592211630735597,0.)
|
|
HEAD: 7.010309278350515 0.028472893487669407 0.028472893487669418 0.028472893487669418
|
|
E_HEAD : 65
|
|
65 (2.006866342486722E-19,-6.976197924711603E-9)
|
|
65 (-5.995204332975847E-20,2.9683210845342888E-21)
|
|
65 (-3.7729461361442207E-20,4.529709940470639E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.02526 -0.00586 -0.00414 )
|
|
( -0.00586 0.02959 -0.00689 )
|
|
( -0.00414 -0.00689 0.02582 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.02526 -0.00586 -0.00414 )
|
|
( -0.00586 0.02959 -0.00689 )
|
|
( -0.00414 -0.00689 0.02582 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.026892259 0.000000000 0.000000000 )
|
|
( 0.000000000 0.026892259 0.000000000 )
|
|
( 0.000000000 0.000000000 0.026892259 )
|
|
POLA SCA (0.00001593419977301829,0.)
|
|
POLA SCA (0.00001593419977301829,0.)
|
|
POLA SCA (0.000015934199773018298,0.)
|
|
HEAD: 7.216494845360824 0.026892259386841578 0.026892259386841578 0.02689225938684159
|
|
E_HEAD : 66
|
|
66 (1.7126931008565397E-19,-6.781484324967614E-9)
|
|
66 (3.0531133177191807E-20,-2.6059365668972576E-20)
|
|
66 (-1.135826514514939E-20,-2.2204460492503135E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.02390 -0.00554 -0.00391 )
|
|
( -0.00554 0.02799 -0.00652 )
|
|
( -0.00391 -0.00652 0.02443 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.02390 -0.00554 -0.00391 )
|
|
( -0.00554 0.02799 -0.00652 )
|
|
( -0.00391 -0.00652 0.02443 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.025439665 0.000000000 0.000000000 )
|
|
( 0.000000000 0.025439665 0.000000000 )
|
|
( 0.000000000 0.000000000 0.025439665 )
|
|
POLA SCA (0.000014468267391696029,0.)
|
|
POLA SCA (0.000014468267391696032,0.)
|
|
POLA SCA (0.000014468267391696043,0.)
|
|
HEAD: 7.422680412371133 0.02543966515050207 0.02543966515050207 0.02543966515050207
|
|
E_HEAD : 67
|
|
67 (1.6188164241415992E-19,-6.59232992183123E-9)
|
|
67 (2.8921309791485327E-20,1.844850994009667E-20)
|
|
67 (-1.2845668235417742E-20,5.329070518200751E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.02264 -0.00524 -0.00370 )
|
|
( -0.00524 0.02651 -0.00617 )
|
|
( -0.00370 -0.00617 0.02315 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.02264 -0.00524 -0.00370 )
|
|
( -0.00524 0.02651 -0.00617 )
|
|
( -0.00370 -0.00617 0.02315 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.024101642 0.000000000 0.000000000 )
|
|
( 0.000000000 0.024101642 0.000000000 )
|
|
( 0.000000000 0.000000000 0.024101642 )
|
|
POLA SCA (0.000013168110985618828,0.)
|
|
POLA SCA (0.000013168110985618828,0.)
|
|
POLA SCA (0.00001316811098561883,0.)
|
|
HEAD: 7.628865979381443 0.024101641690033402 0.024101641690033416 0.024101641690033412
|
|
E_HEAD : 68
|
|
68 (1.8212283150911047E-19,-6.409139126021813E-9)
|
|
68 (-7.105427357601002E-21,-2.6582673211698122E-20)
|
|
68 (3.161517388402174E-20,1.7319479184152445E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.02148 -0.00497 -0.00351 )
|
|
( -0.00497 0.02515 -0.00585 )
|
|
( -0.00351 -0.00585 0.02196 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.02148 -0.00497 -0.00351 )
|
|
( -0.00497 0.02515 -0.00585 )
|
|
( -0.00351 -0.00585 0.02196 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.022866446 0.000000000 0.000000000 )
|
|
( 0.000000000 0.022866446 0.000000000 )
|
|
( 0.000000000 0.000000000 0.022866446 )
|
|
POLA SCA (0.000012011569899676672,0.)
|
|
POLA SCA (0.000012011569899676672,0.)
|
|
POLA SCA (0.000012011569899676672,0.)
|
|
HEAD: 7.835051546391752 0.022866446100192766 0.02286644610019276 0.02286644610019277
|
|
E_HEAD : 69
|
|
69 (1.3351872884351343E-19,-6.232144768553051E-9)
|
|
69 (1.9095836023552693E-20,-2.978750177697357E-20)
|
|
69 (1.957491486743463E-20,-7.105427357601E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.02041 -0.00472 -0.00333 )
|
|
( -0.00472 0.02390 -0.00555 )
|
|
( -0.00333 -0.00555 0.02086 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.02041 -0.00472 -0.00333 )
|
|
( -0.00472 0.02390 -0.00555 )
|
|
( -0.00333 -0.00555 0.02086 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.021723803 0.000000000 0.000000000 )
|
|
( 0.000000000 0.021723803 0.000000000 )
|
|
( 0.000000000 0.000000000 0.021723803 )
|
|
POLA SCA (0.000010979891052312062,0.)
|
|
POLA SCA (0.000010979891052312062,0.)
|
|
POLA SCA (0.000010979891052312059,0.)
|
|
HEAD: 8.041237113402062 0.02172380278634813 0.021723802786348126 0.02172380278634813
|
|
E_HEAD : 70
|
|
70 (1.2190345154689341E-19,-6.061450461526453E-9)
|
|
70 (-2.8810287489022814E-20,3.4580914165044864E-20)
|
|
70 (4.570884259682273E-21,-3.9745984281580613E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.01942 -0.00449 -0.00317 )
|
|
( -0.00449 0.02273 -0.00528 )
|
|
( -0.00317 -0.00528 0.01985 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.01942 -0.00449 -0.00317 )
|
|
( -0.00449 0.02273 -0.00528 )
|
|
( -0.00317 -0.00528 0.01985 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.020664689 0.000000000 0.000000000 )
|
|
( 0.000000000 0.020664689 0.000000000 )
|
|
( 0.000000000 0.000000000 0.020664689 )
|
|
POLA SCA (0.000010057138392093924,0.)
|
|
POLA SCA (0.000010057138392093924,0.)
|
|
POLA SCA (0.000010057138392093923,0.)
|
|
HEAD: 8.24742268041237 0.020664688779671238 0.02066468877967124 0.02066468877967124
|
|
E_HEAD : 71
|
|
71 (1.7178455941014903E-19,-5.897063147724869E-9)
|
|
71 (1.4321877017664524E-20,-1.3393973176254641E-20)
|
|
71 (3.445031888993499E-20,2.442490654175345E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.01849 -0.00427 -0.00302 )
|
|
( -0.00427 0.02165 -0.00503 )
|
|
( -0.00302 -0.00503 0.01890 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.01849 -0.00427 -0.00302 )
|
|
( -0.00427 0.02165 -0.00503 )
|
|
( -0.00302 -0.00503 0.01890 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.019681155 0.000000000 0.000000000 )
|
|
( 0.000000000 0.019681155 0.000000000 )
|
|
( 0.000000000 0.000000000 0.019681155 )
|
|
POLA SCA (0.000009229715887284609,0.)
|
|
POLA SCA (0.00000922971588728461,0.)
|
|
POLA SCA (0.000009229715887284604,0.)
|
|
HEAD: 8.45360824742268 0.019681154826611546 0.019681154826611542 0.019681154826611546
|
|
E_HEAD : 72
|
|
72 (1.2622418659843212E-19,-5.7389181529738935E-9)
|
|
72 (2.592370762499741E-20,-3.2184605017703244E-21)
|
|
72 (3.713461923934307E-21,1.465494392505206E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.01763 -0.00407 -0.00288 )
|
|
( -0.00407 0.02064 -0.00479 )
|
|
( -0.00288 -0.00479 0.01802 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.01763 -0.00407 -0.00288 )
|
|
( -0.00407 0.02064 -0.00479 )
|
|
( -0.00288 -0.00479 0.01802 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.018766176 0.000000000 0.000000000 )
|
|
( 0.000000000 0.018766176 0.000000000 )
|
|
( 0.000000000 0.000000000 0.018766176 )
|
|
POLA SCA (0.000008485980139475623,0.)
|
|
POLA SCA (0.000008485980139475623,0.)
|
|
POLA SCA (0.000008485980139475618,0.)
|
|
HEAD: 8.65979381443299 0.018766175598912086 0.018766175598912086 0.018766175598912086
|
|
E_HEAD : 73
|
|
73 (1.1780488404048576E-19,-5.586898474861601E-9)
|
|
73 (-1.942890293094028E-21,-2.140280204144206E-21)
|
|
73 (-9.280155835844669E-21,1.8873791418627663E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.01683 -0.00388 -0.00274 )
|
|
( -0.00388 0.01970 -0.00457 )
|
|
( -0.00274 -0.00457 0.01721 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.01683 -0.00388 -0.00274 )
|
|
( -0.00388 0.01970 -0.00457 )
|
|
( -0.00274 -0.00457 0.01721 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.017913524 0.000000000 0.000000000 )
|
|
( 0.000000000 0.017913524 0.000000000 )
|
|
( 0.000000000 0.000000000 0.017913524 )
|
|
POLA SCA (0.000007815924170809374,0.)
|
|
POLA SCA (0.000007815924170809374,0.)
|
|
POLA SCA (0.000007815924170809364,0.)
|
|
HEAD: 8.865979381443298 0.0179135237307424 0.017913523730742398 0.0179135237307424
|
|
E_HEAD : 74
|
|
74 (1.4544532703832483E-19,-5.440849640969193E-9)
|
|
74 (9.936496070395155E-21,-1.9754727388991407E-20)
|
|
74 (6.391012479543956E-21,-1.7763568394002506E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.01609 -0.00371 -0.00262 )
|
|
( -0.00371 0.01882 -0.00436 )
|
|
( -0.00262 -0.00436 0.01644 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.01609 -0.00371 -0.00262 )
|
|
( -0.00371 0.01882 -0.00436 )
|
|
( -0.00262 -0.00436 0.01644 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.017117663 0.000000000 0.000000000 )
|
|
( 0.000000000 0.017117663 0.000000000 )
|
|
( 0.000000000 0.000000000 0.017117663 )
|
|
POLA SCA (0.000007210918053402651,0.)
|
|
POLA SCA (0.000007210918053402652,0.)
|
|
POLA SCA (0.0000072109180534026625,0.)
|
|
HEAD: 9.072164948453608 0.017117663447778767 0.01711766344777877 0.01711766344777877
|
|
E_HEAD : 75
|
|
75 (1.2912715698150585E-19,-5.300591138102329E-9)
|
|
75 (-1.820765760385257E-20,6.502036661360823E-21)
|
|
75 (-8.51871126657123E-21,-8.881784197001256E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.01539 -0.00355 -0.00251 )
|
|
( -0.00355 0.01801 -0.00417 )
|
|
( -0.00251 -0.00417 0.01573 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.01539 -0.00355 -0.00251 )
|
|
( -0.00355 0.01801 -0.00417 )
|
|
( -0.00251 -0.00417 0.01573 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.016373660 0.000000000 0.000000000 )
|
|
( 0.000000000 0.016373660 0.000000000 )
|
|
( 0.000000000 0.000000000 0.016373660 )
|
|
POLA SCA (0.0000066634951799763726,0.)
|
|
POLA SCA (0.000006663495179976372,0.)
|
|
POLA SCA (0.0000066634951799763726,0.)
|
|
HEAD: 9.278350515463917 0.01637366038141216 0.01637366038141215 0.016373660381412154
|
|
E_HEAD : 76
|
|
76 (1.5848430983699085E-19,-5.165925195049105E-9)
|
|
76 (2.775557561562892E-21,-1.2561035386638245E-20)
|
|
76 (8.157158892630427E-22,6.2172489379008735E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.01473 -0.00339 -0.00240 )
|
|
( -0.00339 0.01724 -0.00399 )
|
|
( -0.00240 -0.00399 0.01506 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.01473 -0.00339 -0.00240 )
|
|
( -0.00339 0.01724 -0.00399 )
|
|
( -0.00240 -0.00399 0.01506 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.015677105 0.000000000 0.000000000 )
|
|
( 0.000000000 0.015677105 0.000000000 )
|
|
( 0.000000000 0.000000000 0.015677105 )
|
|
POLA SCA (0.000006167175369660938,0.)
|
|
POLA SCA (0.000006167175369660937,0.)
|
|
POLA SCA (0.000006167175369660937,0.)
|
|
HEAD: 9.484536082474227 0.0156771048134642 0.015677104813464206 0.015677104813464206
|
|
E_HEAD : 77
|
|
77 (9.798972338108288E-20,-5.036643500533066E-9)
|
|
77 (3.641531520770513E-20,1.2013309472230131E-21)
|
|
77 (-1.231481680550571E-20,8.659739592076222E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.01412 -0.00325 -0.00230 )
|
|
( -0.00325 0.01652 -0.00382 )
|
|
( -0.00230 -0.00382 0.01443 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.01412 -0.00325 -0.00230 )
|
|
( -0.00325 0.01652 -0.00382 )
|
|
( -0.00230 -0.00382 0.01443 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.015024046 0.000000000 0.000000000 )
|
|
( 0.000000000 0.015024046 0.000000000 )
|
|
( 0.000000000 0.000000000 0.015024046 )
|
|
POLA SCA (0.000005716317846976958,0.)
|
|
POLA SCA (0.000005716317846976959,0.)
|
|
POLA SCA (0.000005716317846976958,0.)
|
|
HEAD: 9.690721649484535 0.01502404611317885 0.01502404611317885 0.01502404611317885
|
|
E_HEAD : 78
|
|
78 (8.58455005614155E-20,-4.9125323231826736E-9)
|
|
78 (-2.1094237467877983E-21,7.30734661851795E-21)
|
|
78 (-1.2298058126295386E-20,-4.107825191113077E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.01354 -0.00312 -0.00220 )
|
|
( -0.00312 0.01585 -0.00367 )
|
|
( -0.00220 -0.00367 0.01384 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.01354 -0.00312 -0.00220 )
|
|
( -0.00312 0.01585 -0.00367 )
|
|
( -0.00220 -0.00367 0.01384 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.014410937 0.000000000 0.000000000 )
|
|
( 0.000000000 0.014410937 0.000000000 )
|
|
( 0.000000000 0.000000000 0.014410937 )
|
|
POLA SCA (0.000005305998560452779,0.)
|
|
POLA SCA (0.000005305998560452778,0.)
|
|
POLA SCA (0.000005305998560452778,0.)
|
|
HEAD: 9.896907216494846 0.014410936539297176 0.014410936539297177 0.014410936539297176
|
|
E_HEAD : 79
|
|
79 (1.0053561357039809E-19,-4.793376393590232E-9)
|
|
79 (8.548717289613706E-21,-5.007949951743042E-21)
|
|
79 (-9.529104112998627E-21,1.4210854715202006E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.01300 -0.00299 -0.00211 )
|
|
( -0.00299 0.01521 -0.00352 )
|
|
( -0.00211 -0.00352 0.01329 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.01300 -0.00299 -0.00211 )
|
|
( -0.00299 0.01521 -0.00352 )
|
|
( -0.00211 -0.00352 0.01329 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.013834583 0.000000000 0.000000000 )
|
|
( 0.000000000 0.013834583 0.000000000 )
|
|
( 0.000000000 0.000000000 0.013834583 )
|
|
POLA SCA (0.0000049319074203004015,0.)
|
|
POLA SCA (0.000004931907420300401,0.)
|
|
POLA SCA (0.0000049319074203004015,0.)
|
|
HEAD: 10.103092783505154 0.01383458290888052 0.013834582908880516 0.013834582908880512
|
|
E_HEAD : 80
|
|
80 (9.682700689565178E-20,-4.6789618037969E-9)
|
|
80 (4.829470157119432E-21,-1.082792656721714E-20)
|
|
80 (1.194643191970522E-20,8.881784197001253E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.01249 -0.00287 -0.00203 )
|
|
( -0.00287 0.01461 -0.00338 )
|
|
( -0.00203 -0.00338 0.01277 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.01249 -0.00287 -0.00203 )
|
|
( -0.00287 0.01461 -0.00338 )
|
|
( -0.00203 -0.00338 0.01277 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.013292105 0.000000000 0.000000000 )
|
|
( 0.000000000 0.013292105 0.000000000 )
|
|
( 0.000000000 0.000000000 0.013292105 )
|
|
POLA SCA (0.000004590261906509182,0.)
|
|
POLA SCA (0.000004590261906509182,0.)
|
|
POLA SCA (0.0000045902619065091824,0.)
|
|
HEAD: 10.309278350515463 0.013292104898936624 0.01329210489893663 0.013292104898936627
|
|
E_HEAD : 81
|
|
81 (9.060268946146773E-20,-4.569078166287655E-9)
|
|
81 (1.2351231148954869E-20,2.4705237918998766E-21)
|
|
81 (-1.4431762244569795E-20,2.6090241078691184E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.01201 -0.00276 -0.00195 )
|
|
( -0.00276 0.01405 -0.00325 )
|
|
( -0.00195 -0.00325 0.01228 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.01201 -0.00276 -0.00195 )
|
|
( -0.00276 0.01405 -0.00325 )
|
|
( -0.00195 -0.00325 0.01228 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.012780899 0.000000000 0.000000000 )
|
|
( 0.000000000 0.012780899 0.000000000 )
|
|
( 0.000000000 0.000000000 0.012780899 )
|
|
POLA SCA (0.000004277734185431213,0.)
|
|
POLA SCA (0.000004277734185431212,0.)
|
|
POLA SCA (0.000004277734185431219,0.)
|
|
HEAD: 10.515463917525773 0.012780898960459704 0.012780898960459705 0.01278089896045971
|
|
E_HEAD : 82
|
|
82 (1.1542908512430588E-19,-4.463520173852154E-9)
|
|
82 (8.881784197001253E-21,2.0868277929610293E-20)
|
|
82 (2.461664687539434E-21,-3.219646771412956E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.01156 -0.00266 -0.00188 )
|
|
( -0.00266 0.01352 -0.00312 )
|
|
( -0.00188 -0.00312 0.01181 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.01156 -0.00266 -0.00188 )
|
|
( -0.00266 0.01352 -0.00312 )
|
|
( -0.00188 -0.00312 0.01181 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.012298607 0.000000000 0.000000000 )
|
|
( 0.000000000 0.012298607 0.000000000 )
|
|
( 0.000000000 0.000000000 0.012298607 )
|
|
POLA SCA (0.000003991389416503043,0.)
|
|
POLA SCA (0.000003991389416503044,0.)
|
|
POLA SCA (0.000003991389416503043,0.)
|
|
HEAD: 10.721649484536082 0.012298606997762267 0.012298606997762267 0.012298606997762258
|
|
E_HEAD : 83
|
|
83 (8.568860224214831E-20,-4.362088711372226E-9)
|
|
83 (5.107025913275722E-21,2.0274792383715747E-20)
|
|
83 (8.37245746246573E-21,4.3298697960381104E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.01113 -0.00256 -0.00181 )
|
|
( -0.00256 0.01302 -0.00301 )
|
|
( -0.00181 -0.00301 0.01138 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.01113 -0.00256 -0.00181 )
|
|
( -0.00256 0.01302 -0.00301 )
|
|
( -0.00181 -0.00301 0.01138 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.011843089 0.000000000 0.000000000 )
|
|
( 0.000000000 0.011843089 0.000000000 )
|
|
( 0.000000000 0.000000000 0.011843089 )
|
|
POLA SCA (0.0000037286333630856674,0.)
|
|
POLA SCA (0.0000037286333630856674,0.)
|
|
POLA SCA (0.0000037286333630856687,0.)
|
|
HEAD: 10.927835051546392 0.011843089107161175 0.011843089107161177 0.011843089107161172
|
|
E_HEAD : 84
|
|
84 (8.770878132938337E-20,-4.264591606760516E-9)
|
|
84 (4.440892098500628E-21,-6.378588226743409E-21)
|
|
84 (7.007543277304229E-22,-5.884182030513332E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.01073 -0.00246 -0.00174 )
|
|
( -0.00246 0.01255 -0.00290 )
|
|
( -0.00174 -0.00290 0.01096 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.01073 -0.00246 -0.00174 )
|
|
( -0.00246 0.01255 -0.00290 )
|
|
( -0.00174 -0.00290 0.01096 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.011412400 0.000000000 0.000000000 )
|
|
( 0.000000000 0.011412400 0.000000000 )
|
|
( 0.000000000 0.000000000 0.011412400 )
|
|
POLA SCA (0.000003487167766864678,0.)
|
|
POLA SCA (0.000003487167766864678,0.)
|
|
POLA SCA (0.000003487167766864678,0.)
|
|
HEAD: 11.1340206185567 0.011412399784596359 0.011412399784596362 0.011412399784596364
|
|
E_HEAD : 85
|
|
85 (7.138318465187149E-20,-4.170844114529504E-9)
|
|
85 (8.049116928532385E-21,-8.257380095647352E-21)
|
|
85 (-6.458981910477438E-21,-1.3433698597964394E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.01034 -0.00237 -0.00168 )
|
|
( -0.00237 0.01210 -0.00279 )
|
|
( -0.00168 -0.00279 0.01057 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.01034 -0.00237 -0.00168 )
|
|
( -0.00237 0.01210 -0.00279 )
|
|
( -0.00168 -0.00279 0.01057 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.011004767 0.000000000 0.000000000 )
|
|
( 0.000000000 0.011004767 0.000000000 )
|
|
( 0.000000000 0.000000000 0.011004767 )
|
|
POLA SCA (0.0000032649522225123306,0.)
|
|
POLA SCA (0.000003264952222512331,0.)
|
|
POLA SCA (0.000003264952222512331,0.)
|
|
HEAD: 11.340206185567009 0.011004767106649492 0.011004767106649492 0.011004767106649492
|
|
E_HEAD : 86
|
|
86 (8.865695797249792E-20,-4.080669185508424E-9)
|
|
86 (7.494005416219809E-22,-5.6510994216152725E-21)
|
|
86 (-3.9458417734188296E-21,1.7541523789077475E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00998 -0.00229 -0.00162 )
|
|
( -0.00229 0.01167 -0.00269 )
|
|
( -0.00162 -0.00269 0.01020 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00998 -0.00229 -0.00162 )
|
|
( -0.00229 0.01167 -0.00269 )
|
|
( -0.00162 -0.00269 0.01020 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.010618574 0.000000000 0.000000000 )
|
|
( 0.000000000 0.010618574 0.000000000 )
|
|
( 0.000000000 0.000000000 0.010618574 )
|
|
POLA SCA (0.000003060171512784727,0.)
|
|
POLA SCA (0.0000030601715127847264,0.)
|
|
POLA SCA (0.000003060171512784727,0.)
|
|
HEAD: 11.54639175257732 0.010618574467672526 0.010618574467672526 0.010618574467672526
|
|
E_HEAD : 87
|
|
87 (8.061751292782642E-20,-3.9938975765013155E-9)
|
|
87 (1.94844140821715E-20,-1.163813343360058E-20)
|
|
87 (1.3818316830494344E-20,3.774758283725533E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00964 -0.00221 -0.00156 )
|
|
( -0.00221 0.01127 -0.00260 )
|
|
( -0.00156 -0.00260 0.00985 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00964 -0.00221 -0.00156 )
|
|
( -0.00221 0.01127 -0.00260 )
|
|
( -0.00156 -0.00260 0.00985 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.010252345 0.000000000 0.000000000 )
|
|
( 0.000000000 0.010252345 0.000000000 )
|
|
( 0.000000000 0.000000000 0.010252345 )
|
|
POLA SCA (0.0000028712075450803266,0.)
|
|
POLA SCA (0.000002871207545080326,0.)
|
|
POLA SCA (0.000002871207545080326,0.)
|
|
HEAD: 11.752577319587628 0.010252344520487894 0.010252344520487892 0.010252344520487894
|
|
E_HEAD : 88
|
|
88 (7.648088974645411E-20,-3.9103678356849916E-9)
|
|
88 (9.270362255620057E-21,1.5210561063094595E-20)
|
|
88 (6.999742964127854E-21,1.9206858326015212E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00931 -0.00214 -0.00151 )
|
|
( -0.00214 0.01089 -0.00251 )
|
|
( -0.00151 -0.00251 0.00952 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00931 -0.00214 -0.00151 )
|
|
( -0.00214 0.01089 -0.00251 )
|
|
( -0.00151 -0.00251 0.00952 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.009904725 0.000000000 0.000000000 )
|
|
( 0.000000000 0.009904725 0.000000000 )
|
|
( 0.000000000 0.000000000 0.009904725 )
|
|
POLA SCA (0.000002696615177420988,0.)
|
|
POLA SCA (0.000002696615177420988,0.)
|
|
POLA SCA (0.0000026966151774209885,0.)
|
|
HEAD: 11.958762886597938 0.009904725021899296 0.009904725021899296 0.009904725021899296
|
|
E_HEAD : 89
|
|
89 (7.402560351952656E-20,-3.829926205364875E-9)
|
|
89 (-5.8286708792820706E-21,-3.991874374507405E-21)
|
|
89 (4.411023334500275E-22,-5.551115123125783E-22)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00900 -0.00206 -0.00146 )
|
|
( -0.00206 0.01052 -0.00243 )
|
|
( -0.00146 -0.00243 0.00920 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00900 -0.00206 -0.00146 )
|
|
( -0.00206 0.01052 -0.00243 )
|
|
( -0.00146 -0.00243 0.00920 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.009574476 0.000000000 0.000000000 )
|
|
( 0.000000000 0.009574476 0.000000000 )
|
|
( 0.000000000 0.000000000 0.009574476 )
|
|
POLA SCA (0.000002535101341646355,0.)
|
|
POLA SCA (0.0000025351013416463545,0.)
|
|
POLA SCA (0.000002535101341646354,0.)
|
|
HEAD: 12.164948453608247 0.00957447632906641 0.00957447632906641 0.00957447632906641
|
|
E_HEAD : 90
|
|
90 (6.213240302378281E-20,-3.752426445124163E-9)
|
|
90 (1.4849232954361472E-20,1.3516478624973745E-20)
|
|
90 (-5.026611146362239E-21,-1.9650947535865273E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00871 -0.00200 -0.00141 )
|
|
( -0.00200 0.01018 -0.00235 )
|
|
( -0.00141 -0.00235 0.00890 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00871 -0.00200 -0.00141 )
|
|
( -0.00200 0.01018 -0.00235 )
|
|
( -0.00141 -0.00235 0.00890 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.009260460 0.000000000 0.000000000 )
|
|
( 0.000000000 0.009260460 0.000000000 )
|
|
( 0.000000000 0.000000000 0.009260460 )
|
|
POLA SCA (0.000002385506969691235,0.)
|
|
POLA SCA (0.0000023855069696912353,0.)
|
|
POLA SCA (0.0000023855069696912353,0.)
|
|
HEAD: 12.371134020618555 0.009260460330263603 0.009260460330263605 0.009260460330263606
|
|
E_HEAD : 91
|
|
91 (8.381191888943021E-20,-3.6777296171290884E-9)
|
|
91 (-2.220446049250306E-22,2.843757610451153E-20)
|
|
91 (-3.946793031123265E-21,-6.772360450213455E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00842 -0.00193 -0.00136 )
|
|
( -0.00193 0.00985 -0.00227 )
|
|
( -0.00136 -0.00227 0.00861 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00842 -0.00193 -0.00136 )
|
|
( -0.00193 0.00985 -0.00227 )
|
|
( -0.00136 -0.00227 0.00861 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.008961631 0.000000000 0.000000000 )
|
|
( 0.000000000 0.008961631 0.000000000 )
|
|
( 0.000000000 0.000000000 0.008961631 )
|
|
POLA SCA (0.0000022467913093719067,0.)
|
|
POLA SCA (0.000002246791309371907,0.)
|
|
POLA SCA (0.000002246791309371906,0.)
|
|
HEAD: 12.577319587628866 0.0089616306249673 0.008961630624967304 0.0089616306249673
|
|
E_HEAD : 92
|
|
92 (7.091639784123533E-20,-3.6057038327981237E-9)
|
|
92 (5.1902926401226066E-21,-7.521602940781433E-21)
|
|
92 (-7.97079510062223E-21,-1.4488410471358293E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00816 -0.00187 -0.00132 )
|
|
( -0.00187 0.00954 -0.00220 )
|
|
( -0.00132 -0.00220 0.00834 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00816 -0.00187 -0.00132 )
|
|
( -0.00187 0.00954 -0.00220 )
|
|
( -0.00132 -0.00220 0.00834 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.008677024 0.000000000 0.000000000 )
|
|
( 0.000000000 0.008677024 0.000000000 )
|
|
( 0.000000000 0.000000000 0.008677024 )
|
|
POLA SCA (0.000002118018282495416,0.)
|
|
POLA SCA (0.000002118018282495415,0.)
|
|
POLA SCA (0.0000021180182824954185,0.)
|
|
HEAD: 12.783505154639174 0.008677023794652093 0.008677023794652093 0.008677023794652093
|
|
E_HEAD : 93
|
|
93 (6.663561051778065E-20,-3.5362239788924167E-9)
|
|
93 (-4.440892098500609E-22,1.954263827993281E-21)
|
|
93 (-5.295113973196952E-21,-4.440892098500618E-22)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00790 -0.00181 -0.00128 )
|
|
( -0.00181 0.00924 -0.00213 )
|
|
( -0.00128 -0.00213 0.00808 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00790 -0.00181 -0.00128 )
|
|
( -0.00181 0.00924 -0.00213 )
|
|
( -0.00128 -0.00213 0.00808 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.008405752 0.000000000 0.000000000 )
|
|
( 0.000000000 0.008405752 0.000000000 )
|
|
( 0.000000000 0.000000000 0.008405752 )
|
|
POLA SCA (0.0000019983445929949587,0.)
|
|
POLA SCA (0.0000019983445929949583,0.)
|
|
POLA SCA (0.000001998344592994958,0.)
|
|
HEAD: 12.989690721649485 0.008405751627981113 0.008405751627981113 0.008405751627981113
|
|
E_HEAD : 94
|
|
94 (4.586025554748528E-20,-3.469171429852092E-9)
|
|
94 (5.551115123125785E-22,-1.3382491909352405E-20)
|
|
94 (1.0300408675173699E-20,1.5543122344752184E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00766 -0.00175 -0.00124 )
|
|
( -0.00175 0.00895 -0.00206 )
|
|
( -0.00124 -0.00206 0.00783 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00766 -0.00175 -0.00124 )
|
|
( -0.00175 0.00895 -0.00206 )
|
|
( -0.00124 -0.00206 0.00783 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.008146994 0.000000000 0.000000000 )
|
|
( 0.000000000 0.008146994 0.000000000 )
|
|
( 0.000000000 0.000000000 0.008146994 )
|
|
POLA SCA (0.0000018870093383191138,0.)
|
|
POLA SCA (0.0000018870093383191136,0.)
|
|
POLA SCA (0.000001887009338319113,0.)
|
|
HEAD: 13.195876288659793 0.008146994182949363 0.008146994182949362 0.008146994182949362
|
|
E_HEAD : 95
|
|
95 (6.100083134454147E-20,-3.404433752205005E-9)
|
|
95 (1.8596235662471395E-21,-2.3620804135941747E-21)
|
|
95 (5.524838572915178E-21,-1.0769163338864017E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00743 -0.00170 -0.00120 )
|
|
( -0.00170 0.00868 -0.00200 )
|
|
( -0.00120 -0.00200 0.00759 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00743 -0.00170 -0.00120 )
|
|
( -0.00170 0.00868 -0.00200 )
|
|
( -0.00120 -0.00200 0.00759 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.007899994 0.000000000 0.000000000 )
|
|
( 0.000000000 0.007899994 0.000000000 )
|
|
( 0.000000000 0.000000000 0.007899994 )
|
|
POLA SCA (0.0000017833249151748016,0.)
|
|
POLA SCA (0.0000017833249151748016,0.)
|
|
POLA SCA (0.0000017833249151748056,0.)
|
|
HEAD: 13.402061855670102 0.00789999358455278 0.00789999358455278 0.00789999358455278
|
|
E_HEAD : 96
|
|
96 (6.625062549157143E-20,-3.3419044131271226E-9)
|
|
96 (1.0713652187632764E-20,-3.8665730553178725E-22)
|
|
96 (1.6769763430532552E-21,-2.2759572004815717E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00721 -0.00165 -0.00117 )
|
|
( -0.00165 0.00842 -0.00194 )
|
|
( -0.00117 -0.00194 0.00736 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00721 -0.00165 -0.00117 )
|
|
( -0.00165 0.00842 -0.00194 )
|
|
( -0.00117 -0.00194 0.00736 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.007664048 0.000000000 0.000000000 )
|
|
( 0.000000000 0.007664048 0.000000000 )
|
|
( 0.000000000 0.000000000 0.007664048 )
|
|
POLA SCA (0.0000016866690423222213,0.)
|
|
POLA SCA (0.0000016866690423222215,0.)
|
|
POLA SCA (0.0000016866690423222215,0.)
|
|
HEAD: 13.608247422680412 0.007664048470179143 0.007664048470179143 0.007664048470179142
|
|
E_HEAD : 97
|
|
97 (5.455171872828363E-20,-3.281482483461329E-9)
|
|
97 (-3.5804692544161326E-21,-6.126629012159757E-21)
|
|
97 (1.4036262378289817E-21,-1.931788062847773E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00699 -0.00160 -0.00113 )
|
|
( -0.00160 0.00818 -0.00188 )
|
|
( -0.00113 -0.00188 0.00715 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00699 -0.00160 -0.00113 )
|
|
( -0.00160 0.00818 -0.00188 )
|
|
( -0.00113 -0.00188 0.00715 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.007438509 0.000000000 0.000000000 )
|
|
( 0.000000000 0.007438509 0.000000000 )
|
|
( 0.000000000 0.000000000 0.007438509 )
|
|
POLA SCA (0.0000015964777495586745,0.)
|
|
POLA SCA (0.0000015964777495586745,0.)
|
|
POLA SCA (0.0000015964777495586745,0.)
|
|
HEAD: 13.81443298969072 0.00743850900653719 0.007438509006537193 0.007438509006537193
|
|
E_HEAD : 98
|
|
98 (6.041042988118835E-20,-3.2230723551674445E-9)
|
|
98 (-5.634381849972671E-21,-7.594907686665883E-21)
|
|
98 (2.6061979559708242E-22,-5.329070518200752E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00679 -0.00155 -0.00110 )
|
|
( -0.00155 0.00794 -0.00183 )
|
|
( -0.00110 -0.00183 0.00694 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00679 -0.00155 -0.00110 )
|
|
( -0.00155 0.00794 -0.00183 )
|
|
( -0.00110 -0.00183 0.00694 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.007222772 0.000000000 0.000000000 )
|
|
( 0.000000000 0.007222772 0.000000000 )
|
|
( 0.000000000 0.000000000 0.007222772 )
|
|
POLA SCA (0.0000015122392042103562,0.)
|
|
POLA SCA (0.0000015122392042103564,0.)
|
|
POLA SCA (0.000001512239204210356,0.)
|
|
HEAD: 14.02061855670103 0.007222772411876184 0.007222772411876188 0.007222772411876188
|
|
E_HEAD : 99
|
|
99 (5.967714105502988E-20,-3.166583458902805E-9)
|
|
99 (2.595146320061304E-21,6.396753112995074E-22)
|
|
99 (-7.96409493766055E-23,1.9428902930940242E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00660 -0.00151 -0.00107 )
|
|
( -0.00151 0.00771 -0.00178 )
|
|
( -0.00107 -0.00178 0.00674 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00660 -0.00151 -0.00107 )
|
|
( -0.00151 0.00771 -0.00178 )
|
|
( -0.00107 -0.00178 0.00674 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.007016279 0.000000000 0.000000000 )
|
|
( 0.000000000 0.007016279 0.000000000 )
|
|
( 0.000000000 0.000000000 0.007016279 )
|
|
POLA SCA (0.0000014334882651118037,0.)
|
|
POLA SCA (0.0000014334882651118035,0.)
|
|
POLA SCA (0.0000014334882651118033,0.)
|
|
HEAD: 14.22680412371134 0.007016278925764963 0.0070162789257649655 0.007016278925764965
|
|
E_HEAD : 100
|
|
100 (5.4008086791609684E-20,-3.1119299970265306E-9)
|
|
100 (-1.5681900222830341E-21,5.902926287300916E-21)
|
|
100 (-1.5293494191309164E-21,-1.1934897514720433E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00641 -0.00147 -0.00104 )
|
|
( -0.00147 0.00749 -0.00172 )
|
|
( -0.00104 -0.00172 0.00655 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00641 -0.00147 -0.00104 )
|
|
( -0.00147 0.00749 -0.00172 )
|
|
( -0.00104 -0.00172 0.00655 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.006818508 0.000000000 0.000000000 )
|
|
( 0.000000000 0.006818508 0.000000000 )
|
|
( 0.000000000 0.000000000 0.006818508 )
|
|
POLA SCA (0.0000013598016697906044,0.)
|
|
POLA SCA (0.0000013598016697906041,0.)
|
|
POLA SCA (0.000001359801669790605,0.)
|
|
HEAD: 14.432989690721648 0.006818508176016214 0.00681850817601621 0.006818508176016213
|
|
E_HEAD : 101
|
|
101 (6.287900066947568E-20,-3.059030682321773E-9)
|
|
101 (-3.913536161803677E-21,-5.199657330508332E-22)
|
|
101 (1.9257509122785783E-21,4.829470157119432E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00623 -0.00143 -0.00101 )
|
|
( -0.00143 0.00729 -0.00168 )
|
|
( -0.00101 -0.00168 0.00637 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00623 -0.00143 -0.00101 )
|
|
( -0.00143 0.00729 -0.00168 )
|
|
( -0.00101 -0.00168 0.00637 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.006628976 0.000000000 0.000000000 )
|
|
( 0.000000000 0.006628976 0.000000000 )
|
|
( 0.000000000 0.000000000 0.006628976 )
|
|
POLA SCA (0.0000012907937738821608,0.)
|
|
POLA SCA (0.0000012907937738821613,0.)
|
|
POLA SCA (0.000001290793773882162,0.)
|
|
HEAD: 14.639175257731958 0.006628975898643058 0.006628975898643059 0.006628975898643059
|
|
E_HEAD : 102
|
|
102 (5.932227599987749E-20,-3.007808491656411E-9)
|
|
102 (-1.165734175856415E-21,-1.551526131353463E-21)
|
|
102 (8.617170574883417E-21,1.6098233857064764E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00606 -0.00139 -0.00098 )
|
|
( -0.00139 0.00709 -0.00163 )
|
|
( -0.00098 -0.00163 0.00619 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00606 -0.00139 -0.00098 )
|
|
( -0.00139 0.00709 -0.00163 )
|
|
( -0.00098 -0.00163 0.00619 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.006447231 0.000000000 0.000000000 )
|
|
( 0.000000000 0.006447231 0.000000000 )
|
|
( 0.000000000 0.000000000 0.006447231 )
|
|
POLA SCA (0.000001226112773077091,0.)
|
|
POLA SCA (0.000001226112773077091,0.)
|
|
POLA SCA (0.000001226112773077092,0.)
|
|
HEAD: 14.845360824742267 0.006447230972172278 0.006447230972172274 0.006447230972172276
|
|
E_HEAD : 103
|
|
103 (5.997712937854309E-20,-2.9581904275285954E-9)
|
|
103 (1.0963452368173421E-20,8.074143046354606E-21)
|
|
103 (-8.635600158931098E-22,-1.0824674490095276E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00590 -0.00135 -0.00095 )
|
|
( -0.00135 0.00689 -0.00159 )
|
|
( -0.00095 -0.00159 0.00603 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00590 -0.00135 -0.00095 )
|
|
( -0.00135 0.00689 -0.00159 )
|
|
( -0.00095 -0.00159 0.00603 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.006272853 0.000000000 0.000000000 )
|
|
( 0.000000000 0.006272853 0.000000000 )
|
|
( 0.000000000 0.000000000 0.006272853 )
|
|
POLA SCA (0.0000011654373474856683,0.)
|
|
POLA SCA (0.0000011654373474856683,0.)
|
|
POLA SCA (0.000001165437347485666,0.)
|
|
HEAD: 15.051546391752577 0.006272852732341687 0.006272852732341686 0.006272852732341685
|
|
E_HEAD : 104
|
|
104 (5.101573539805312E-20,-2.9101072939919374E-9)
|
|
104 (-9.783840404509194E-21,-2.082890413245277E-21)
|
|
104 (6.061050133196553E-21,7.049916206369744E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00574 -0.00131 -0.00093 )
|
|
( -0.00131 0.00671 -0.00154 )
|
|
( -0.00093 -0.00154 0.00587 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00574 -0.00131 -0.00093 )
|
|
( -0.00131 0.00671 -0.00154 )
|
|
( -0.00093 -0.00154 0.00587 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.006105449 0.000000000 0.000000000 )
|
|
( 0.000000000 0.006105449 0.000000000 )
|
|
( 0.000000000 0.000000000 0.006105449 )
|
|
POLA SCA (0.0000011084736764617743,0.)
|
|
POLA SCA (0.0000011084736764617745,0.)
|
|
POLA SCA (0.0000011084736764617738,0.)
|
|
HEAD: 15.257731958762886 0.006105448537285163 0.006105448537285167 0.006105448537285165
|
|
E_HEAD : 105
|
|
105 (4.9453853633387646E-20,-2.8634934816318406E-9)
|
|
105 (-9.714451465470061E-23,-8.836993822669384E-21)
|
|
105 (1.4718611937390933E-20,-7.716050021144837E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00559 -0.00128 -0.00090 )
|
|
( -0.00128 0.00653 -0.00150 )
|
|
( -0.00090 -0.00150 0.00571 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00559 -0.00128 -0.00090 )
|
|
( -0.00128 0.00653 -0.00150 )
|
|
( -0.00090 -0.00150 0.00571 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.005944652 0.000000000 0.000000000 )
|
|
( 0.000000000 0.005944652 0.000000000 )
|
|
( 0.000000000 0.000000000 0.005944652 )
|
|
POLA SCA (0.0000010549527788911209,0.)
|
|
POLA SCA (0.000001054952778891121,0.)
|
|
POLA SCA (0.0000010549527788911209,0.)
|
|
HEAD: 15.463917525773194 0.005944651556848248 0.005944651556848248 0.005944651556848248
|
|
E_HEAD : 106
|
|
106 (5.568651857260327E-20,-2.8182867654172607E-9)
|
|
106 (8.187894806610533E-22,1.3145223422447695E-21)
|
|
106 (-8.37323501224153E-21,-6.050715484207104E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00544 -0.00124 -0.00088 )
|
|
( -0.00124 0.00636 -0.00146 )
|
|
( -0.00088 -0.00146 0.00556 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00544 -0.00124 -0.00088 )
|
|
( -0.00124 0.00636 -0.00146 )
|
|
( -0.00088 -0.00146 0.00556 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.005790119 0.000000000 0.000000000 )
|
|
( 0.000000000 0.005790119 0.000000000 )
|
|
( 0.000000000 0.000000000 0.005790119 )
|
|
POLA SCA (0.000001004628139902603,0.)
|
|
POLA SCA (0.000001004628139902603,0.)
|
|
POLA SCA (0.0000010046281399026038,0.)
|
|
HEAD: 15.670103092783505 0.005790118762757381 0.005790118762757383 0.005790118762757383
|
|
E_HEAD : 107
|
|
107 (5.362779974437043E-20,-2.7744281129701843E-9)
|
|
107 (3.663735981263017E-21,5.480543051112963E-21)
|
|
107 (-4.305094585256735E-21,6.883382752675971E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00530 -0.00121 -0.00086 )
|
|
( -0.00121 0.00620 -0.00143 )
|
|
( -0.00086 -0.00143 0.00542 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00530 -0.00121 -0.00086 )
|
|
( -0.00121 0.00620 -0.00143 )
|
|
( -0.00086 -0.00143 0.00542 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.005641529 0.000000000 0.000000000 )
|
|
( 0.000000000 0.005641529 0.000000000 )
|
|
( 0.000000000 0.000000000 0.005641529 )
|
|
POLA SCA (9.572735900642939E-7,0.)
|
|
POLA SCA (9.572735900642937E-7,0.)
|
|
POLA SCA (9.572735900642926E-7,0.)
|
|
HEAD: 15.876288659793813 0.005641529099051065 0.005641529099051066 0.005641529099051065
|
|
E_HEAD : 108
|
|
108 (4.901880503325258E-20,-2.7318615037143782E-9)
|
|
108 (3.635980405647387E-21,-1.0597424417723114E-20)
|
|
108 (4.191903190234978E-21,9.825473767932636E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00517 -0.00118 -0.00083 )
|
|
( -0.00118 0.00604 -0.00139 )
|
|
( -0.00083 -0.00139 0.00528 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00517 -0.00118 -0.00083 )
|
|
( -0.00118 0.00604 -0.00139 )
|
|
( -0.00083 -0.00139 0.00528 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.005498582 0.000000000 0.000000000 )
|
|
( 0.000000000 0.005498582 0.000000000 )
|
|
( 0.000000000 0.000000000 0.005498582 )
|
|
POLA SCA (9.126814075075573E-7,0.)
|
|
POLA SCA (9.126814075075573E-7,0.)
|
|
POLA SCA (9.126814075075586E-7,0.)
|
|
HEAD: 16.082474226804123 0.00549858181452625 0.005498581814526248 0.00549858181452625
|
|
E_HEAD : 109
|
|
109 (3.890543475069658E-20,-2.690533756612268E-9)
|
|
109 (6.272760089132134E-21,-8.789538470927216E-22)
|
|
109 (1.8003751468339158E-21,-1.412758798835512E-20)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00504 -0.00115 -0.00081 )
|
|
( -0.00115 0.00589 -0.00135 )
|
|
( -0.00081 -0.00135 0.00515 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00504 -0.00115 -0.00081 )
|
|
( -0.00115 0.00589 -0.00135 )
|
|
( -0.00081 -0.00135 0.00515 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.005360995 0.000000000 0.000000000 )
|
|
( 0.000000000 0.005360995 0.000000000 )
|
|
( 0.000000000 0.000000000 0.005360995 )
|
|
POLA SCA (8.706606171931673E-7,0.)
|
|
POLA SCA (8.706606171931673E-7,0.)
|
|
POLA SCA (8.706606171931668E-7,0.)
|
|
HEAD: 16.288659793814432 0.0053609949410058436 0.005360994941005844 0.0053609949410058436
|
|
E_HEAD : 110
|
|
110 (4.358959579036162E-20,-2.650394370313697E-9)
|
|
110 (-1.137978600240786E-21,-8.595986479395934E-21)
|
|
110 (-3.616086222224565E-21,2.5257573810222323E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00492 -0.00112 -0.00079 )
|
|
( -0.00112 0.00575 -0.00132 )
|
|
( -0.00079 -0.00132 0.00502 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00492 -0.00112 -0.00079 )
|
|
( -0.00112 0.00575 -0.00132 )
|
|
( -0.00079 -0.00132 0.00502 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.005228504 0.000000000 0.000000000 )
|
|
( 0.000000000 0.005228504 0.000000000 )
|
|
( 0.000000000 0.000000000 0.005228504 )
|
|
POLA SCA (8.310354647837791E-7,0.)
|
|
POLA SCA (8.310354647837791E-7,0.)
|
|
POLA SCA (8.310354647837791E-7,0.)
|
|
HEAD: 16.49484536082474 0.005228503903031676 0.005228503903031677 0.005228503903031677
|
|
E_HEAD : 111
|
|
111 (4.224032959866764E-20,-2.6113953718073513E-9)
|
|
111 (-8.229528170033974E-21,2.1640037441122267E-21)
|
|
111 (3.7439931603436394E-21,-5.440092820663267E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00480 -0.00110 -0.00077 )
|
|
( -0.00110 0.00561 -0.00129 )
|
|
( -0.00077 -0.00129 0.00490 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00480 -0.00110 -0.00077 )
|
|
( -0.00110 0.00561 -0.00129 )
|
|
( -0.00077 -0.00129 0.00490 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.005100860 0.000000000 0.000000000 )
|
|
( 0.000000000 0.005100860 0.000000000 )
|
|
( 0.000000000 0.000000000 0.005100860 )
|
|
POLA SCA (7.936440453948814E-7,0.)
|
|
POLA SCA (7.936440453948814E-7,0.)
|
|
POLA SCA (7.936440453948814E-7,0.)
|
|
HEAD: 16.70103092783505 0.0051008602461670785 0.0051008602461670785 0.005100860246167078
|
|
E_HEAD : 112
|
|
112 (4.399028200727654E-20,-2.5734911719906552E-9)
|
|
112 (2.373101715136272E-21,-9.854732032936252E-21)
|
|
112 (-2.7485557393912006E-22,-4.996003610813195E-22)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00468 -0.00107 -0.00075 )
|
|
( -0.00107 0.00547 -0.00126 )
|
|
( -0.00075 -0.00126 0.00478 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00468 -0.00107 -0.00075 )
|
|
( -0.00107 0.00547 -0.00126 )
|
|
( -0.00075 -0.00126 0.00478 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.004977830 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004977830 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004977830 )
|
|
POLA SCA (7.583370699255594E-7,0.)
|
|
POLA SCA (7.583370699255595E-7,0.)
|
|
POLA SCA (7.583370699255594E-7,0.)
|
|
HEAD: 16.90721649484536 0.0049778304724823145 0.0049778304724823145 0.0049778304724823145
|
|
E_HEAD : 113
|
|
113 (3.3725124407677753E-20,-2.5366384318686046E-9)
|
|
113 (7.466249840604179E-21,-8.173214468320081E-21)
|
|
113 (3.407380281871311E-21,1.2490009027033016E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00457 -0.00104 -0.00074 )
|
|
( -0.00104 0.00534 -0.00123 )
|
|
( -0.00074 -0.00123 0.00467 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00457 -0.00104 -0.00074 )
|
|
( -0.00104 0.00534 -0.00123 )
|
|
( -0.00074 -0.00123 0.00467 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.004859195 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004859195 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004859195 )
|
|
POLA SCA (7.249767537765959E-7,0.)
|
|
POLA SCA (7.249767537765959E-7,0.)
|
|
POLA SCA (7.24976753776596E-7,0.)
|
|
HEAD: 17.11340206185567 0.004859194973020039 0.00485919497302004 0.004859194973020039
|
|
E_HEAD : 114
|
|
114 (3.080655296517964E-20,-2.5007959364050925E-9)
|
|
114 (6.661338147750943E-22,-7.254597310855442E-21)
|
|
114 (3.620031873746443E-21,-7.521760991835435E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00446 -0.00102 -0.00072 )
|
|
( -0.00102 0.00521 -0.00120 )
|
|
( -0.00072 -0.00120 0.00456 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00446 -0.00102 -0.00072 )
|
|
( -0.00102 0.00521 -0.00120 )
|
|
( -0.00072 -0.00120 0.00456 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.004744747 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004744747 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004744747 )
|
|
POLA SCA (6.934358145920886E-7,0.)
|
|
POLA SCA (6.934358145920886E-7,0.)
|
|
POLA SCA (6.934358145920888E-7,0.)
|
|
HEAD: 17.31958762886598 0.004744747048117898 0.004744747048117898 0.004744747048117898
|
|
E_HEAD : 115
|
|
115 (3.764663211684558E-20,-2.465924475108211E-9)
|
|
115 (-2.4286128663675307E-21,-4.619563838731019E-21)
|
|
115 (-5.52674108832405E-21,4.1633363423443456E-22)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00436 -0.00099 -0.00070 )
|
|
( -0.00099 0.00509 -0.00117 )
|
|
( -0.00070 -0.00117 0.00445 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00436 -0.00099 -0.00070 )
|
|
( -0.00099 0.00509 -0.00117 )
|
|
( -0.00070 -0.00117 0.00445 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.004634292 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004634292 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004634292 )
|
|
POLA SCA (6.63596567251512E-7,0.)
|
|
POLA SCA (6.635965672515121E-7,0.)
|
|
POLA SCA (6.635965672515118E-7,0.)
|
|
HEAD: 17.525773195876287 0.004634292007419732 0.004634292007419732 0.004634292007419732
|
|
E_HEAD : 116
|
|
116 (4.571227681319332E-20,-2.4319867300468256E-9)
|
|
116 (-2.775557561562929E-23,-3.880056099302487E-22)
|
|
116 (-1.1947796767715932E-21,1.1102230246251553E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00426 -0.00097 -0.00069 )
|
|
( -0.00097 0.00497 -0.00114 )
|
|
( -0.00069 -0.00114 0.00435 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00426 -0.00097 -0.00069 )
|
|
( -0.00097 0.00497 -0.00114 )
|
|
( -0.00069 -0.00114 0.00435 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.004527646 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004527646 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004527646 )
|
|
POLA SCA (6.353501057251958E-7,0.)
|
|
POLA SCA (6.353501057251959E-7,0.)
|
|
POLA SCA (6.353501057251958E-7,0.)
|
|
HEAD: 17.731958762886595 0.004527646342251618 0.004527646342251618 0.0045276463422516166
|
|
E_HEAD : 117
|
|
117 (3.413598076083914E-20,-2.3989471723984415E-9)
|
|
117 (-6.93889390390723E-22,-1.3457566821747718E-20)
|
|
117 (2.2428175128762793E-21,1.02695629777827E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00416 -0.00095 -0.00067 )
|
|
( -0.00095 0.00486 -0.00112 )
|
|
( -0.00067 -0.00112 0.00425 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00416 -0.00095 -0.00067 )
|
|
( -0.00095 0.00486 -0.00112 )
|
|
( -0.00067 -0.00112 0.00425 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.004424637 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004424637 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004424637 )
|
|
POLA SCA (6.085955626156326E-7,0.)
|
|
POLA SCA (6.085955626156326E-7,0.)
|
|
POLA SCA (6.085955626156328E-7,0.)
|
|
HEAD: 17.938144329896907 0.004424636963787574 0.004424636963787576 0.004424636963787574
|
|
E_HEAD : 118
|
|
118 (2.6499711877727393E-20,-2.366771960326281E-9)
|
|
118 (4.413136522884998E-21,-3.826909744945955E-21)
|
|
118 (6.149095237596697E-22,7.244205235679148E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00407 -0.00093 -0.00066 )
|
|
( -0.00093 0.00475 -0.00109 )
|
|
( -0.00066 -0.00109 0.00416 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00407 -0.00093 -0.00066 )
|
|
( -0.00093 0.00475 -0.00109 )
|
|
( -0.00066 -0.00109 0.00416 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.004325101 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004325101 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004325101 )
|
|
POLA SCA (5.832394382642453E-7,0.)
|
|
POLA SCA (5.832394382642453E-7,0.)
|
|
POLA SCA (5.832394382642454E-7,0.)
|
|
HEAD: 18.144329896907216 0.004325100501094628 0.004325100501094628 0.004325100501094627
|
|
E_HEAD : 119
|
|
119 (3.9156594323051717E-20,-2.3354288492600515E-9)
|
|
119 (-3.955169525227121E-21,-1.1925586968268882E-21)
|
|
119 (4.382072013060919E-22,-1.9984014443252826E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00398 -0.00091 -0.00064 )
|
|
( -0.00091 0.00465 -0.00107 )
|
|
( -0.00064 -0.00107 0.00406 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00398 -0.00091 -0.00064 )
|
|
( -0.00091 0.00465 -0.00107 )
|
|
( -0.00064 -0.00107 0.00406 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.004228883 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004228883 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004228883 )
|
|
POLA SCA (5.591949922287887E-7,0.)
|
|
POLA SCA (5.591949922287888E-7,0.)
|
|
POLA SCA (5.591949922287892E-7,0.)
|
|
HEAD: 18.350515463917525 0.004228882653737466 0.004228882653737464 0.004228882653737464
|
|
E_HEAD : 120
|
|
120 (4.010784522160338E-20,-2.304887102599601E-9)
|
|
120 (-4.10782519111308E-21,-8.030017096577964E-21)
|
|
120 (-4.976260662476136E-21,-1.387778780781442E-22)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00389 -0.00089 -0.00063 )
|
|
( -0.00089 0.00454 -0.00104 )
|
|
( -0.00063 -0.00104 0.00397 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00389 -0.00089 -0.00063 )
|
|
( -0.00089 0.00454 -0.00104 )
|
|
( -0.00063 -0.00104 0.00397 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.004135838 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004135838 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004135838 )
|
|
POLA SCA (5.363816907478633E-7,0.)
|
|
POLA SCA (5.363816907478635E-7,0.)
|
|
POLA SCA (5.363816907478631E-7,0.)
|
|
HEAD: 18.556701030927833 0.004135837594149036 0.004135837594149038 0.004135837594149036
|
|
E_HEAD : 121
|
|
121 (3.438050335455117E-20,-2.275117410431793E-9)
|
|
121 (4.524158825347512E-21,3.953344301574685E-21)
|
|
121 (-2.0450717156393526E-21,8.298917109073047E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00380 -0.00087 -0.00061 )
|
|
( -0.00087 0.00445 -0.00102 )
|
|
( -0.00061 -0.00102 0.00389 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00380 -0.00087 -0.00061 )
|
|
( -0.00087 0.00445 -0.00102 )
|
|
( -0.00061 -0.00102 0.00389 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.004045827 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004045827 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004045827 )
|
|
POLA SCA (5.147247045214901E-7,0.)
|
|
POLA SCA (5.147247045214902E-7,0.)
|
|
POLA SCA (5.1472470452149E-7,0.)
|
|
HEAD: 18.76288659793814 0.004045827415442066 0.004045827415442065 0.004045827415442066
|
|
E_HEAD : 122
|
|
122 (3.490346977076712E-20,-2.2460918124969643E-9)
|
|
122 (-7.771561172376094E-22,-8.669762718229539E-21)
|
|
122 (1.0237683569323803E-21,2.1926904736346844E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00372 -0.00085 -0.00060 )
|
|
( -0.00085 0.00435 -0.00100 )
|
|
( -0.00060 -0.00100 0.00380 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00372 -0.00085 -0.00060 )
|
|
( -0.00085 0.00435 -0.00100 )
|
|
( -0.00060 -0.00100 0.00380 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.003958722 0.000000000 0.000000000 )
|
|
( 0.000000000 0.003958722 0.000000000 )
|
|
( 0.000000000 0.000000000 0.003958722 )
|
|
POLA SCA (4.941544517630952E-7,0.)
|
|
POLA SCA (4.941544517630951E-7,0.)
|
|
POLA SCA (4.941544517630967E-7,0.)
|
|
HEAD: 18.969072164948454 0.003958721620754822 0.003958721620754822 0.003958721620754822
|
|
E_HEAD : 123
|
|
123 (3.25635981210598E-20,-2.2177836251822685E-9)
|
|
123 (-1.2212453270876724E-21,-1.6039114795464462E-21)
|
|
123 (-4.013190818892897E-21,-5.3013149425851234E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00364 -0.00083 -0.00059 )
|
|
( -0.00083 0.00426 -0.00098 )
|
|
( -0.00059 -0.00098 0.00372 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00364 -0.00083 -0.00059 )
|
|
( -0.00083 0.00426 -0.00098 )
|
|
( -0.00059 -0.00098 0.00372 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.003874397 0.000000000 0.000000000 )
|
|
( 0.000000000 0.003874397 0.000000000 )
|
|
( 0.000000000 0.000000000 0.003874397 )
|
|
POLA SCA (4.746061820297766E-7,0.)
|
|
POLA SCA (4.7460618202977655E-7,0.)
|
|
POLA SCA (4.7460618202977713E-7,0.)
|
|
HEAD: 19.175257731958762 0.0038743966505984735 0.003874396650598472 0.003874396650598472
|
|
E_HEAD : 124
|
|
124 (2.930931424398079E-20,-2.1901673726141548E-9)
|
|
124 (-2.622901895676933E-21,6.78571411653282E-21)
|
|
124 (-4.156913450323986E-21,-2.498001805406604E-22)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00357 -0.00081 -0.00057 )
|
|
( -0.00081 0.00417 -0.00096 )
|
|
( -0.00057 -0.00096 0.00364 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00357 -0.00081 -0.00057 )
|
|
( -0.00081 0.00417 -0.00096 )
|
|
( -0.00057 -0.00096 0.00364 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.003792735 0.000000000 0.000000000 )
|
|
( 0.000000000 0.003792735 0.000000000 )
|
|
( 0.000000000 0.000000000 0.003792735 )
|
|
POLA SCA (4.56019596824055E-7,0.)
|
|
POLA SCA (4.56019596824055E-7,0.)
|
|
POLA SCA (4.5601959682405484E-7,0.)
|
|
HEAD: 19.38144329896907 0.003792735445007686 0.0037927354450076854 0.0037927354450076854
|
|
E_HEAD : 125
|
|
125 (3.119522741479397E-20,-2.163218724215821E-9)
|
|
125 (5.2735593669694946E-21,1.31051465217695E-21)
|
|
125 (3.1297205656556354E-21,1.4988010832439616E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00349 -0.00080 -0.00056 )
|
|
( -0.00080 0.00408 -0.00094 )
|
|
( -0.00056 -0.00094 0.00357 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00349 -0.00080 -0.00056 )
|
|
( -0.00080 0.00408 -0.00094 )
|
|
( -0.00056 -0.00094 0.00357 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.003713627 0.000000000 0.000000000 )
|
|
( 0.000000000 0.003713627 0.000000000 )
|
|
( 0.000000000 0.000000000 0.003713627 )
|
|
POLA SCA (4.383385033897236E-7,0.)
|
|
POLA SCA (4.383385033897236E-7,0.)
|
|
POLA SCA (4.3833850338972316E-7,0.)
|
|
HEAD: 19.58762886597938 0.003713627037596028 0.003713627037596029 0.003713627037596028
|
|
E_HEAD : 126
|
|
126 (2.896973974191803E-20,-2.136914432809112E-9)
|
|
126 (-4.267419750902945E-21,-2.3018409854850006E-21)
|
|
126 (-4.472449766788463E-21,6.2172489379008765E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00342 -0.00078 -0.00055 )
|
|
( -0.00078 0.00400 -0.00092 )
|
|
( -0.00055 -0.00092 0.00349 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00342 -0.00078 -0.00055 )
|
|
( -0.00078 0.00400 -0.00092 )
|
|
( -0.00055 -0.00092 0.00349 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.003636966 0.000000000 0.000000000 )
|
|
( 0.000000000 0.003636966 0.000000000 )
|
|
( 0.000000000 0.000000000 0.003636966 )
|
|
POLA SCA (4.215104985039024E-7,0.)
|
|
POLA SCA (4.2151049850390236E-7,0.)
|
|
POLA SCA (4.215104985039022E-7,0.)
|
|
HEAD: 19.79381443298969 0.0036369661788863764 0.003636966178886375 0.0036369661788863746
|
|
E_HEAD : 127
|
|
127 (2.808798925743839E-20,-2.1112322785711846E-9)
|
|
127 (-3.566591466608316E-21,2.385961117878581E-21)
|
|
127 (3.5137557086456296E-21,-4.912736883966318E-21)
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.00335 -0.00076 -0.00054 )
|
|
( -0.00076 0.00391 -0.00090 )
|
|
( -0.00054 -0.00090 0.00342 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.00335 -0.00076 -0.00054 )
|
|
( -0.00076 0.00391 -0.00090 )
|
|
( -0.00054 -0.00090 0.00342 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.003562653 0.000000000 0.000000000 )
|
|
( 0.000000000 0.003562653 0.000000000 )
|
|
( 0.000000000 0.000000000 0.003562653 )
|
|
POLA SCA (4.0548667940349075E-7,0.)
|
|
POLA SCA (4.0548667940349075E-7,0.)
|
|
POLA SCA (4.0548667940349075E-7,0.)
|
|
HEAD: 20. 0.003562652986528027 0.003562652986528026 0.003562652986528025
|
|
E_HEAD : 128
|
|
128 (3.194092097306624E-20,-2.0861510144515043E-9)
|
|
128 (-4.163336342344324E-23,-3.2610768469290564E-22)
|
|
128 (4.349332204416071E-21,-9.409140133698202E-21)
|
|
ATT01
|
|
ATT02
|
|
ATT1
|
|
ATT2
|
|
|
|
PHONON : 0m57.70s CPU 1m 5.39s WALL
|
|
|
|
INITIALIZATION:
|
|
phq_setup : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
phq_init : 0.09s CPU 0.09s WALL ( 1 calls)
|
|
|
|
phq_init : 0.09s CPU 0.09s WALL ( 1 calls)
|
|
init_vloc : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
init_us_1 : 0.01s CPU 0.01s WALL ( 1 calls)
|
|
|
|
|
|
|
|
|
|
ortho : 0.01s CPU 0.01s WALL ( 12 calls)
|
|
cgsolve : 4.85s CPU 5.77s WALL ( 12 calls)
|
|
|
|
|
|
cgsolve : 4.85s CPU 5.77s WALL ( 12 calls)
|
|
ch_psi : 4.68s CPU 5.57s WALL ( 293 calls)
|
|
|
|
ch_psi : 4.68s CPU 5.57s WALL ( 293 calls)
|
|
h_psiq : 10.42s CPU 13.43s WALL ( 653 calls)
|
|
last : 0.50s CPU 0.59s WALL ( 293 calls)
|
|
|
|
h_psiq : 10.42s CPU 13.43s WALL ( 653 calls)
|
|
firstfft : 4.48s CPU 5.50s WALL ( 9733 calls)
|
|
secondfft : 3.95s CPU 5.53s WALL ( 9733 calls)
|
|
add_vuspsi : 0.44s CPU 0.47s WALL ( 653 calls)
|
|
|
|
|
|
|
|
General routines
|
|
calbec : 0.72s CPU 1.00s WALL ( 1010 calls)
|
|
fft : 0.31s CPU 0.57s WALL ( 387 calls)
|
|
fftw : 18.09s CPU 22.05s WALL ( 44106 calls)
|
|
davcio : 0.03s CPU 0.03s WALL ( 44 calls)
|
|
|