mirror of https://gitlab.com/QEF/q-e.git
4243 lines
146 KiB
Plaintext
4243 lines
146 KiB
Plaintext
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Program PHONON v.6.3 starts on 14Dec2018 at 22:16:40
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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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"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
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URL http://www.quantum-espresso.org",
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in publications or presentations arising from this work. More details at
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http://www.quantum-espresso.org/quote
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Parallel version (MPI & OpenMP), running on 64 processor cores
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Number of MPI processes: 4
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Threads/MPI process: 16
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MPI processes distributed on 1 nodes
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R & G space division: proc/nbgrp/npool/nimage = 4
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Ultrasoft (Vanderbilt) Pseudopotentials
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Reading data from directory:
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/marconi_scratch/userexternal/pumari00/tmp/si.save/
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IMPORTANT: XC functional enforced from input :
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Exchange-correlation = PZ ( 1 1 0 0 0 0)
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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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Parallelization info
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--------------------
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sticks: dense smooth PW G-vecs: dense smooth PW
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Min 124 124 36 2096 2096 340
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Max 125 125 37 2097 2097 343
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Sum 497 497 145 8385 8385 1365
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Calculation of q = 0.0000000 0.0000000 0.0000000
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calculation of head
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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 = PZ ( 1 1 0 0 0 0)
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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 ( 2096 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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/marconi/home/userexternal/pumari00/QE_LAST/develop//pseudo/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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Mode symmetry, T_d (-43m) point group:
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Atomic displacements:
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There are 9 irreducible representations
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Representation 1 1 modes -A_1 G_1 P_1 To be done
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Representation 2 2 modes -E G_12 P_3 To be done
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Representation 3 3 modes -T_1 G_25 P_5 To be done
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Representation 4 3 modes -T_1 G_25 P_5 To be done
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Representation 5 3 modes -T_2 G_15 P_4 To be done
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Representation 6 3 modes -T_2 G_15 P_4 To be done
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Representation 7 3 modes -T_2 G_15 P_4 To be done
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Representation 8 3 modes -T_2 G_15 P_4 To be done
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Representation 9 3 modes -T_2 G_15 P_4 To be done
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PHONON : 6.37s CPU 0.82s WALL
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Routine solve_head
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Freq 1 0.000000000000000E+000
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Freq 2 5.154639175257732E-003
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Freq 3 1.546391752577320E-002
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Freq 4 2.577319587628866E-002
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Freq 5 3.608247422680412E-002
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Freq 6 4.639175257731958E-002
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Freq 7 5.670103092783505E-002
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Freq 8 6.701030927835051E-002
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Freq 9 7.731958762886598E-002
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Freq 10 8.762886597938145E-002
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Freq 11 9.793814432989691E-002
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Freq 12 0.108247422680412
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Freq 13 0.118556701030928
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Freq 14 0.128865979381443
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Freq 15 0.139175257731959
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Freq 16 0.149484536082474
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Freq 17 0.159793814432990
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Freq 18 0.170103092783505
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Freq 19 0.180412371134021
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Freq 20 0.190721649484536
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Freq 21 0.201030927835052
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Freq 22 0.206185567010309
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Freq 23 0.211340206185567
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Freq 24 0.221649484536082
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Freq 25 0.231958762886598
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Freq 26 0.242268041237113
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Freq 27 0.252577319587629
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Freq 28 0.262886597938144
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Freq 29 0.273195876288660
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Freq 30 0.283505154639175
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Freq 31 0.293814432989691
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Freq 32 0.304123711340206
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Freq 33 0.412371134020619
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Freq 34 0.618556701030928
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Freq 35 0.824742268041237
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Freq 36 1.03092783505155
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Freq 37 1.23711340206186
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Freq 38 1.44329896907216
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Freq 39 1.64948453608247
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Freq 40 1.85567010309278
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Freq 41 2.06185567010309
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Freq 42 2.26804123711340
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Freq 43 2.47422680412371
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Freq 44 2.68041237113402
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Freq 45 2.88659793814433
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Freq 46 3.09278350515464
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Freq 47 3.29896907216495
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Freq 48 3.50515463917526
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Freq 49 3.71134020618557
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Freq 50 3.91752577319588
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Freq 51 4.12371134020619
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Freq 52 4.32989690721649
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Freq 53 4.53608247422680
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Freq 54 4.74226804123711
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Freq 55 4.94845360824742
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Freq 56 5.15463917525773
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Freq 57 5.36082474226804
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Freq 58 5.56701030927835
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Freq 59 5.77319587628866
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Freq 60 5.97938144329897
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Freq 61 6.18556701030928
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Freq 62 6.39175257731959
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Freq 63 6.59793814432990
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Freq 64 6.80412371134021
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Freq 65 7.01030927835052
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Freq 66 7.21649484536082
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Freq 67 7.42268041237113
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Freq 68 7.62886597938144
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Freq 69 7.83505154639175
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Freq 70 8.04123711340206
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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 8.86597938144330
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Freq 75 9.07216494845361
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Freq 76 9.27835051546392
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Freq 77 9.48453608247423
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Freq 78 9.69072164948454
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Freq 79 9.89690721649485
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Freq 80 10.1030927835052
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Freq 81 10.3092783505155
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Freq 82 10.5154639175258
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Freq 83 10.7216494845361
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Freq 84 10.9278350515464
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Freq 85 11.1340206185567
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Freq 86 11.3402061855670
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Freq 87 11.5463917525773
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Freq 88 11.7525773195876
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Freq 89 11.9587628865979
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Freq 90 12.1649484536082
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Freq 91 12.3711340206186
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Freq 92 12.5773195876289
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Freq 93 12.7835051546392
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Freq 94 12.9896907216495
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Freq 95 13.1958762886598
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Freq 96 13.4020618556701
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Freq 97 13.6082474226804
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Freq 98 13.8144329896907
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Freq 99 14.0206185567010
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Freq 100 14.2268041237113
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Freq 101 14.4329896907216
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Freq 102 14.6391752577320
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Freq 103 14.8453608247423
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Freq 104 15.0515463917526
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Freq 105 15.2577319587629
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Freq 106 15.4639175257732
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Freq 107 15.6701030927835
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Freq 108 15.8762886597938
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Freq 109 16.0824742268041
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Freq 110 16.2886597938144
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Freq 111 16.4948453608247
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Freq 112 16.7010309278350
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Freq 113 16.9072164948454
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Freq 114 17.1134020618557
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Freq 115 17.3195876288660
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Freq 116 17.5257731958763
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Freq 117 17.7319587628866
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Freq 118 17.9381443298969
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Freq 119 18.1443298969072
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Freq 120 18.3505154639175
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Freq 121 18.5567010309278
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Freq 122 18.7628865979381
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Freq 123 18.9690721649485
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Freq 124 19.1752577319588
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Freq 125 19.3814432989691
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Freq 126 19.5876288659794
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Freq 127 19.7938144329897
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Freq 128 20.0000000000000
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FREQUENCY BLOCK : 1
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ik: 1
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BLOCK : 1
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ipol: 1
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before lanczos_state_k
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Lanczos N1 1.78691295117006 1.66242964502395
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1.45753426510321 1.54779197284948 1.54775496530038
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1.22647139459329 1.34976693473077 0.712551075365550
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0.700268706410511 0.728830191808750 0.576449707957334
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0.543388023107408 0.552764095414953 0.903323057815135
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0.690765088172586 0.691321341686913
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Lanczos alpha (0.676693841136534,-1.412798738886353E-017)
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(0.663662221307720,-1.768346865209946E-017)
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(0.651641058600888,-1.589186412999784E-017)
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(0.655724054143787,-7.439576384645383E-018)
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(0.688421851153221,2.992367345338339E-017)
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(0.691257479931345,6.494754154065636E-018)
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(0.685593018973871,-1.356901144780510E-017)
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(0.888576542152070,7.161465981152663E-017)
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(0.896709957372820,4.030084024673702E-018)
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(0.878410266091094,3.772221342529547E-017)
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(0.928244626295327,-1.134649752835224E-016)
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(0.960017463669211,-2.377043227408831E-016)
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(0.950474884990923,3.935171721083862E-017)
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(0.904864547045577,1.401957468635804E-017)
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(0.973543274176101,5.405196781693889E-017)
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(0.974067495503323,4.591210582630561E-017)
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Lanczos beta 0.736264521329042 0.748032389679019
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0.758527475273977 0.755000638951540 0.725310523055313
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0.722608536096111 0.727985035790087 0.458728382310349
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0.442618630819394 0.477907317819861 0.371970313000716
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0.279940117614707 0.310801372264494 0.425699602419364
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0.228502720566904 0.226257627946296
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Lanczos Diagonal 1 (1.20919298870389,-2.524548363912756E-017)
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(1.10329175098440,-2.939752251410177E-017)
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(0.949789171458924,-2.316293650583650E-017)
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(1.01492442740807,-1.151491660955468E-017)
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(1.06550833834368,4.631451416750141E-017)
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(0.847807525434441,7.965630184877449E-018)
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(0.925390787693176,-1.831500298923061E-017)
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(0.633156170655059,5.102910286064130E-017)
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(0.627937921874889,2.822141726683918E-018)
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(0.640211922721947,2.749308804620869E-017)
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(0.535086343740905,-6.540685186557261E-017)
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(0.521661991731800,-1.291656820182538E-016)
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(0.525388390016639,2.175221636707426E-017)
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(0.817385009545718,1.266420507494861E-017)
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(0.672489705626082,3.733721231496956E-017)
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(0.673393647884969,3.174001859951314E-017)
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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 1.78691287326175 1.66456221544929
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1.45621820405917 1.54779204369230 1.29983721565204
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1.40867372120498 1.34976715211673 0.712551047215777
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0.728051330838431 0.700717383001068 0.549451173406361
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0.556976555711781 0.552764095606965 0.903322968316473
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0.691027644665030 0.690861596177602
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Lanczos alpha (0.676693842281103,1.034706566291450E-017)
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(0.663835470834092,-2.045098476755147E-017)
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(0.651597664120138,-2.197089664315519E-018)
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(0.655724061761480,3.899619016355045E-017)
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(0.687068699281976,3.174734951587367E-018)
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(0.685096801338322,-6.489172396422541E-018)
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(0.685593014466971,1.780695881872512E-017)
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(0.888576558869190,-4.281897079096832E-017)
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(0.878881326588062,9.850691112057753E-017)
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(0.896405528497573,1.100133405424339E-016)
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(0.953796339000370,1.424224167798534E-017)
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(0.946329823952365,-1.473285770223098E-016)
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(0.950474884858085,6.810467097462919E-017)
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(0.904864569742957,-1.199924721364555E-017)
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(0.973790650126928,-6.205279376715464E-017)
|
|
(0.973634204111359,7.625068949714380E-017)
|
|
Lanczos beta 0.736264520277079 0.747878645010325
|
|
0.758564752749019 0.755000632335514 0.726592459682162
|
|
0.728452038775375 0.727985040034541 0.458728349928570
|
|
0.477040473937808 0.443234845740932 0.300453896146300
|
|
0.323202512827927 0.310801372670730 0.425699554173942
|
|
0.227446190835054 0.228114963525939
|
|
Lanczos Diagonal 1 (1.20919293802906,1.848930483354656E-017)
|
|
(1.10499544202542,-3.404193651279511E-017)
|
|
(0.948868380214177,-3.199441965126505E-018)
|
|
(1.01492448565201,6.035799286945514E-017)
|
|
(0.893077465036354,4.126638639904544E-018)
|
|
(0.965077860526886,-9.141126627209206E-018)
|
|
(0.925390930648205,2.403524809261042E-017)
|
|
(0.633156157553633,-3.051070247780624E-017)
|
|
(0.639870719471484,7.171808773811950E-017)
|
|
(0.628126936036508,7.708826008009951E-017)
|
|
(0.524064517654444,7.825416401906022E-018)
|
|
(0.527083525912324,-8.205856338780404E-017)
|
|
(0.525388390125714,3.764581685790084E-017)
|
|
(0.817384949064617,-1.083919561059347E-017)
|
|
(0.672916259354039,-4.288019592180170E-017)
|
|
(0.672646480345482,5.267867305563945E-017)
|
|
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 1.78691281103080 1.38319116538319
|
|
1.81716162797109 1.54779202690411 1.26485545643042
|
|
1.46442091169058 1.34976697440387 0.712551075032756
|
|
0.713134021945539 0.711974679860362 0.545359876978959
|
|
0.566923107129011 0.552764093413024 0.903322992580301
|
|
0.691139726234800 0.690811479807897
|
|
Lanczos alpha (0.676693839454368,-1.145612817202891E-017)
|
|
(0.650002701749802,4.657436458123758E-017)
|
|
(0.678296839519105,8.246314531958554E-018)
|
|
(0.655724072924539,5.051646988879846E-017)
|
|
(0.688746069255124,-4.504751576002778E-017)
|
|
(0.685730558387153,2.635964867670474E-017)
|
|
(0.685593028039352,2.285497489060237E-018)
|
|
(0.888576541217951,6.236713468450129E-017)
|
|
(0.888200416838169,-7.609652180437291E-018)
|
|
(0.888948893251024,7.486214056354773E-017)
|
|
(0.957973697452828,8.258339153456796E-018)
|
|
(0.936876375340515,-9.069569871596607E-017)
|
|
(0.950474886059793,7.084807580505502E-017)
|
|
(0.904864566160061,7.445139172174189E-017)
|
|
(0.973896252792105,-1.054177371454898E-016)
|
|
(0.973586985857887,-4.476889552957236E-017)
|
|
Lanczos beta 0.736264522875105 0.759931896763097
|
|
0.734787994933501 0.755000622640309 0.725002656605902
|
|
0.727855481049667 0.727985027252506 0.458728384119775
|
|
0.459456221558161 0.458006402998669 0.286856052731258
|
|
0.349660774649972 0.310801368995738 0.425699561789727
|
|
0.226993587569112 0.228316405385495
|
|
Lanczos Diagonal 1 (1.20919289086663,-2.047110219540928E-017)
|
|
(0.899077994535528,6.442124962210342E-017)
|
|
(1.23257498914818,1.498488633965543E-017)
|
|
(1.01492449192169,7.818898932122382E-017)
|
|
(0.871164223792348,-5.697859610770650E-017)
|
|
(1.00419816948741,3.860162074698342E-017)
|
|
(0.925390827129066,3.084889030816487E-018)
|
|
(0.633156169693739,4.443976886615408E-017)
|
|
(0.633405935553508,-5.426701865041887E-018)
|
|
(0.632909103684621,5.329994856139332E-017)
|
|
(0.522440417791953,4.503766824779721E-018)
|
|
(0.531136865703810,-5.141748731929210E-017)
|
|
(0.525388388704689,3.916227239243844E-017)
|
|
(0.817384967783582,6.725365397185213E-017)
|
|
(0.673098389535833,-7.285838599102590E-017)
|
|
(0.672565066422197,-3.092686697014901E-017)
|
|
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
|
|
BLOCK : 1
|
|
ipol: 1
|
|
before lanczos_state_k
|
|
Lanczos N1 2.14638935992993 2.48439178522416
|
|
1.71809087873903 1.71809505203724 1.71183345615411
|
|
1.71183574233394 1.57674970555451 1.00701327975513
|
|
1.00701233725457 1.07834625700764 0.767215416988242
|
|
0.767215453252400 0.725293989631164 0.592951452251133
|
|
0.671412683601862 0.768792911285102
|
|
Lanczos alpha (0.719280061640438,-5.928412104846662E-018)
|
|
(0.769212283685590,9.843453203496650E-018)
|
|
(0.694586928734326,-6.340578877080617E-018)
|
|
(0.694586458961619,6.903787422636692E-018)
|
|
(0.736049960881921,-4.120182308734022E-018)
|
|
(0.736049886973207,8.080661026631825E-018)
|
|
(0.732791579314772,-6.834150447274201E-018)
|
|
(0.846699555701472,4.662115737139609E-018)
|
|
(0.846699775384232,1.590632894556328E-017)
|
|
(0.814951634115799,-3.858505345940247E-017)
|
|
(0.896691548110509,-8.338399543832618E-019)
|
|
(0.896691322104529,3.158824414543165E-017)
|
|
(0.916842659646560,-3.218992187975420E-017)
|
|
(0.959497664597391,2.670535081132937E-017)
|
|
(0.961075945457104,-1.558612988259946E-016)
|
|
(0.941342746891529,4.219813168601578E-018)
|
|
Lanczos beta 0.694720226369239 0.638993319704674
|
|
0.719408783954865 0.719409237518646 0.676927215500842
|
|
0.676927295864724 0.680453158773888 0.532071294447397
|
|
0.532070944860074 0.579528976024485 0.442655924558995
|
|
0.442656382380771 0.399248716281245 0.281716580328799
|
|
0.276284322870000 0.337451971211770
|
|
Lanczos Diagonal 1 (1.54385507111478,-1.272468066312267E-017)
|
|
(1.91102467868200,2.445499427700555E-017)
|
|
(1.19336346674980,-1.089369073463756E-017)
|
|
(1.19336555835403,1.186136301114904E-017)
|
|
(1.25999494843859,-7.053065921545166E-018)
|
|
(1.25999650466159,1.383276436707320E-017)
|
|
(1.15542890691739,-1.077574470545485E-017)
|
|
(0.852637696554152,4.694812459054968E-018)
|
|
(0.852637119762593,1.601786948861165E-017)
|
|
(0.878800044291035,-4.160804797438649E-017)
|
|
(0.687955579993437,-6.397348683036112E-019)
|
|
(0.687955439115920,2.423498904948482E-017)
|
|
(0.664980470479101,-2.334715686608241E-017)
|
|
(0.568935533654594,1.583497654645373E-017)
|
|
(0.645278579684551,-1.046472529144327E-016)
|
|
(0.723697630899854,3.244162450968419E-018)
|
|
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 2.14638949900118 2.48439157322365
|
|
1.71809082649104 1.71809502658326 1.71183355982678
|
|
1.71183582063480 1.57674942651758 1.00701328283479
|
|
1.00701234548727 1.07834628368105 0.767215422698929
|
|
0.767215451688253 0.725293989024114 0.592951455923439
|
|
0.671412680691186 0.768792908153224
|
|
Lanczos alpha (0.719280069661702,1.196899629443555E-017)
|
|
(0.769212270091948,1.257781930565020E-018)
|
|
(0.694586929534252,-1.498037480104218E-017)
|
|
(0.694586458507069,3.079339028915856E-017)
|
|
(0.736049964162807,4.555929682660751E-017)
|
|
(0.736049896227884,1.321833825726968E-017)
|
|
(0.732791578197632,7.528082131866894E-017)
|
|
(0.846699561156425,3.410079134060162E-017)
|
|
(0.846699771412777,-5.971769952574412E-018)
|
|
(0.814951632868652,-1.762886094308895E-018)
|
|
(0.896691543056651,-5.191321920670768E-017)
|
|
(0.896691321480544,9.788415851549077E-018)
|
|
(0.916842646709636,-5.260709576361901E-017)
|
|
(0.959497666063447,-1.016257250458264E-016)
|
|
(0.961075946734526,4.325730647696626E-017)
|
|
(0.941342753437381,-6.521114842898682E-017)
|
|
Lanczos beta 0.694720218064407 0.638993336068532
|
|
0.719408783182537 0.719409237957512 0.676927211933402
|
|
0.676927285801748 0.680453159976954 0.532071285766783
|
|
0.532070951179964 0.579528977778263 0.442655934796633
|
|
0.442656383644780 0.399248745989851 0.281716575335561
|
|
0.276284318426389 0.337451952951721
|
|
Lanczos Diagonal 1 (1.54385518836272,2.569012795996054E-017)
|
|
(1.91102448183667,3.124822829248709E-018)
|
|
(1.19336343183337,-2.573764452306804E-017)
|
|
(1.19336553989307,5.290597070744044E-017)
|
|
(1.25999503036319,7.798993326989661E-017)
|
|
(1.25999657813742,2.262762491806158E-017)
|
|
(1.15542870068003,1.186989918419834E-016)
|
|
(0.852637704654903,3.433994983516326E-017)
|
|
(0.852637122733917,-6.013646066652364E-018)
|
|
(0.878800064683711,-1.901001668350992E-018)
|
|
(0.687955581236763,-3.982862241733640E-017)
|
|
(0.687955437234632,7.509823888858679E-018)
|
|
(0.664980460539459,-3.815561033736880E-017)
|
|
(0.568935538047463,-6.025912162519790E-017)
|
|
(0.645278577744847,2.904350410118010E-017)
|
|
(0.723697632984087,-5.013386844473231E-017)
|
|
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 1.62948653868126 1.34393282125488
|
|
2.61194554699589 2.61194444074988 2.33560252840428
|
|
2.33558037975219 1.01781500675621 1.00170681364046
|
|
1.00170586658238 1.18842421919026 0.740645719304488
|
|
0.740645950179344 0.908732745519344 1.24936693388451
|
|
0.924438353964721 0.848293220078796
|
|
Lanczos alpha (0.656334281669346,1.996267529905339E-017)
|
|
(0.642131023295915,5.180221483169790E-018)
|
|
(0.790546378227443,-1.402972156209553E-017)
|
|
(0.790550529443146,9.851000847398445E-018)
|
|
(0.768664905183454,1.917385301129679E-017)
|
|
(0.768665690580051,8.042218086680743E-018)
|
|
(0.795601545418478,2.032997922505995E-017)
|
|
(0.858939893054902,8.046565364100648E-018)
|
|
(0.858939622597656,-5.060497681196364E-017)
|
|
(0.850100355509499,-3.274085366953965E-017)
|
|
(0.921720740207297,-5.915093577324309E-017)
|
|
(0.921720166161665,1.106481926586467E-016)
|
|
(0.867993036891156,-5.753357706753369E-018)
|
|
(0.840420018247136,-2.453326378878711E-017)
|
|
(0.894700111869668,3.222423004588072E-017)
|
|
(0.941029540871229,1.143846779385317E-016)
|
|
Lanczos beta 0.754470218567693 0.766594905358065
|
|
0.612402174940188 0.612396816122653 0.639651673600025
|
|
0.639650729793294 0.605820254636414 0.512076420194129
|
|
0.512076873849811 0.526620722686283 0.387854195635046
|
|
0.387855559829829 0.496576366643105 0.541935598507317
|
|
0.446667336863132 0.338324405279435
|
|
Lanczos Diagonal 1 (1.06948787685523,3.252891067587232E-017)
|
|
(0.862980957753361,6.961869672601501E-018)
|
|
(2.06486409230489,-3.664486875970758E-017)
|
|
(2.06487406051089,2.573026689918468E-017)
|
|
(1.79529569604211,4.478249957243685E-017)
|
|
(1.79528050550743,1.878324677293973E-017)
|
|
(0.809775192325357,2.069215794230795E-017)
|
|
(0.860405943380700,8.060299351622918E-018)
|
|
(0.860404858996129,-5.069130215080934E-017)
|
|
(1.01027985122974,-3.891002345784524E-017)
|
|
(0.682668520628699,-4.380988737330720E-017)
|
|
(0.682668308266270,8.195113578729055E-017)
|
|
(0.788773695505774,-5.228264544812866E-018)
|
|
(1.04999298137259,-3.065104855797688E-017)
|
|
(0.827095098708847,2.978931418139447E-017)
|
|
(0.798268979414926,9.703174677615307E-017)
|
|
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
|
|
BLOCK : 1
|
|
ipol: 1
|
|
before lanczos_state_k
|
|
Lanczos N1 1.86917652839342 2.04231862344680
|
|
2.04232498693774 1.44743450467663 1.77463919042317
|
|
1.64693663802722 1.64695065136479 1.35155194580683
|
|
0.878741487591080 0.902138039280381 0.902138359088323
|
|
0.862904213783227 0.736689387457530 0.736689619374777
|
|
1.05403452990686 0.766386506458458
|
|
Lanczos alpha (0.688876644820711,-1.046773390900731E-017)
|
|
(0.713585832234774,2.860091734239926E-018)
|
|
(0.713590477749736,-1.076599718323952E-017)
|
|
(0.660922591966182,-7.431363426410353E-018)
|
|
(0.763399194507229,-5.581493129674648E-017)
|
|
(0.755458748312946,1.261893636690792E-017)
|
|
(0.755457136990092,-3.676563259846346E-017)
|
|
(0.775697616142772,3.617713557047835E-017)
|
|
(0.861119917978472,2.719929868643069E-017)
|
|
(0.891094008244084,-4.082230559569424E-018)
|
|
(0.891093645737170,1.092289703686467E-017)
|
|
(0.925845298923350,3.121228912952305E-018)
|
|
(0.932458217561888,-1.292753371270002E-017)
|
|
(0.932458069644973,2.367056880323630E-017)
|
|
(0.877014188873621,1.902839741897342E-017)
|
|
(0.954086826966584,8.066619774220684E-018)
|
|
Lanczos beta 0.724878588606782 0.700567812587622
|
|
0.700563080717863 0.750454080826205 0.645926984902872
|
|
0.655196214578073 0.655198072471778 0.631104752248326
|
|
0.508401895020809 0.453818761700629 0.453819473498921
|
|
0.377902742066703 0.361277832839638 0.361278214613019
|
|
0.480464475808925 0.299530176457791
|
|
Lanczos Diagonal 1 (1.28763205545728,-1.956604252818439E-017)
|
|
(1.45736963460086,5.841218613604460E-018)
|
|
(1.45738366314912,-2.198766505663135E-017)
|
|
(0.956642164532161,-1.075641184017826E-017)
|
|
(1.35475812851001,-9.905136448998294E-017)
|
|
(1.24419269111477,2.078258863559470E-017)
|
|
(1.24420062384402,-6.055118255587813E-017)
|
|
(1.04839562245548,4.889527797399746E-017)
|
|
(0.756701797718711,2.390115218914822E-017)
|
|
(0.803889801411814,-3.682735472900412E-018)
|
|
(0.803889759359363,9.853964409327803E-018)
|
|
(0.798915809752350,2.693321581168584E-018)
|
|
(0.686932073125408,-9.523576892145548E-018)
|
|
(0.686932180409694,1.743786232204061E-017)
|
|
(0.924403238291052,2.005658792838855E-017)
|
|
(0.731199270176956,6.182148547693704E-018)
|
|
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 1.98741392769695 1.96341325644437
|
|
1.96341915795689 2.22309047301527 2.03333541096228
|
|
1.66132372297560 1.66132501760600 1.46470870909239
|
|
1.22043099459868 0.960769528304766 0.960769388455501
|
|
0.869592957088430 0.769794337281369 0.769795030027594
|
|
0.619038813536626 0.695309282697994
|
|
Lanczos alpha (0.703340055582908,1.609327788964225E-017)
|
|
(0.705994604965552,-1.675895533883962E-017)
|
|
(0.705994227123757,2.442785693300223E-017)
|
|
(0.743800953459179,2.925945077307911E-018)
|
|
(0.777703741667080,5.598606840161721E-017)
|
|
(0.761524680102836,-1.806286115333609E-017)
|
|
(0.761524383814058,-3.970045073785564E-017)
|
|
(0.798290012049095,2.839796150269141E-017)
|
|
(0.837643033776229,-1.107219140189799E-016)
|
|
(0.844054414332192,-6.907035978550969E-018)
|
|
(0.844054619505587,-9.659595375382497E-017)
|
|
(0.886879302082642,1.158237738196345E-018)
|
|
(0.945306334398022,-7.722367659639403E-017)
|
|
(0.945306264856305,9.525819600193235E-017)
|
|
(0.965955159710414,2.042939567124415E-016)
|
|
(0.973676594469564,9.616063236969225E-017)
|
|
Lanczos beta 0.710853547654249 0.708217210860859
|
|
0.708217587516667 0.668401183147679 0.628630965031968
|
|
0.648135912902744 0.648136261025888 0.602273240865519
|
|
0.546218040681700 0.536257536680222 0.536257213742882
|
|
0.462001194303008 0.326183896210365 0.326184097747611
|
|
0.258709546458624 0.227933958378632
|
|
Lanczos Diagonal 1 (1.39782782237262,3.198400462017240E-017)
|
|
(1.38615916636757,-3.290475507643681E-017)
|
|
(1.38616259094175,4.796212229008659E-017)
|
|
(1.65353681345477,6.504640625929140E-018)
|
|
(1.58133255716954,1.138384554015647E-016)
|
|
(1.26513901668625,-3.000825973885173E-017)
|
|
(1.26513951034729,-6.595535202103407E-017)
|
|
(1.16926233302978,4.159474153346266E-017)
|
|
(1.02228552083018,-1.351284556500535E-016)
|
|
(0.810941761521496,-6.636069699096465E-018)
|
|
(0.810941840605424,-9.280643541533830E-017)
|
|
(0.771223994878568,1.007195379769574E-018)
|
|
(0.727691463215805,-5.944634894795190E-017)
|
|
(0.727692064540331,7.332928585168192E-017)
|
|
(0.597963735996716,1.264658885759726E-016)
|
|
(0.677006374480459,6.686138031675626E-017)
|
|
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 1.98741393851543 1.96341315633745
|
|
1.96341898114780 2.22309041079810 2.03333534373401
|
|
1.66132376020449 1.66132484639601 1.46470867995742
|
|
1.22043092704389 0.960769662188467 0.960769499716274
|
|
0.869592907715462 0.769794351270306 0.769795035213497
|
|
0.619038815945413 0.695309283734364
|
|
Lanczos alpha (0.703340054200894,3.163909389567632E-018)
|
|
(0.705994604208352,2.917067387980853E-017)
|
|
(0.705994212044959,3.495141254615531E-017)
|
|
(0.743800950266271,3.087068049902551E-017)
|
|
(0.777703745862322,-8.607254339413669E-018)
|
|
(0.761524676640266,1.415983898342407E-017)
|
|
(0.761524378143443,-4.841584755553851E-017)
|
|
(0.798290030693442,-5.608836107056229E-018)
|
|
(0.837643049344987,-1.864375568282619E-017)
|
|
(0.844054386938644,-1.104169459033416E-017)
|
|
(0.844054590683479,-2.313771318754337E-017)
|
|
(0.886879323628963,-3.848262985535903E-017)
|
|
(0.945306326432161,2.604051157721409E-017)
|
|
(0.945306265749535,-2.685902213937394E-017)
|
|
(0.965955158880419,6.742331282390799E-018)
|
|
(0.973676595930366,-4.768335502245357E-017)
|
|
Lanczos beta 0.710853549021656 0.708217211615683
|
|
0.708217602548127 0.668401186700766 0.628630959841870
|
|
0.648135916971077 0.648136267688547 0.602273216153154
|
|
0.546218016806506 0.536257579796903 0.536257259108111
|
|
0.462001152941670 0.326183919296050 0.326184095158964
|
|
0.258709549557614 0.227933952138459
|
|
Lanczos Diagonal 1 (1.39782782723506,6.287997621026562E-018)
|
|
(1.38615909420593,5.727408487484514E-017)
|
|
(1.38616243650956,6.862426681104866E-017)
|
|
(1.65353676007946,6.862831379219558E-017)
|
|
(1.58133251341619,-1.750143446083776E-017)
|
|
(1.26513903928452,2.352407694383225E-017)
|
|
(1.26513937054598,-8.043445050333782E-017)
|
|
(1.16926233708016,-8.215310930463824E-018)
|
|
(1.02228548324397,-2.275341603157132E-017)
|
|
(0.810941848207734,-1.060852518154358E-017)
|
|
(0.810941906824191,-2.223000912377469E-017)
|
|
(0.771223969827232,-3.346422199245950E-017)
|
|
(0.727691470307562,2.004583871632842E-017)
|
|
(0.727692070130203,-2.067594189357946E-017)
|
|
(0.597963737809697,4.173764773762916E-018)
|
|
(0.677006376505257,-3.315467942671358E-017)
|
|
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
|
|
BLOCK : 1
|
|
ipol: 1
|
|
before lanczos_state_k
|
|
Lanczos N1 1.77423068101178 1.81320472462909
|
|
1.80761375070564 1.81041021694023 1.92347019999967
|
|
1.92160569589906 1.92535723182169 1.63469661072394
|
|
0.848114685556199 0.817645331490244 0.830663496832227
|
|
0.653186228820422 0.677421499634457 0.662033615997701
|
|
0.698415016511345 0.623278340032217
|
|
Lanczos alpha (0.678378675701841,-2.613970947769544E-018)
|
|
(0.688957801555496,1.910112537238565E-017)
|
|
(0.688372814546812,1.651512195582425E-017)
|
|
(0.688665160263736,-2.440336810536505E-017)
|
|
(0.784191101319682,-1.285122893106509E-017)
|
|
(0.784021201402493,-1.465726641144400E-017)
|
|
(0.784359831933007,1.150062819709362E-017)
|
|
(0.766384945845588,-1.127526705038678E-017)
|
|
(0.908454812132010,2.312214279049447E-017)
|
|
(0.921210899222984,-8.934468415366983E-017)
|
|
(0.915553576379420,1.345776741447938E-017)
|
|
(0.966013215747558,-3.111020956674711E-017)
|
|
(0.954632823208472,-1.804150601714851E-016)
|
|
(0.961661684325802,-2.683854734170893E-016)
|
|
(0.952066343263869,-1.488727846384599E-016)
|
|
(0.974192799398959,3.413798662396676E-017)
|
|
Lanczos beta 0.734712441947879 0.724801453969166
|
|
0.725357062551196 0.725079510839275 0.620519392614787
|
|
0.620734045909673 0.620306097060174 0.642381595923526
|
|
0.417983078980710 0.389063592684771 0.402196032773638
|
|
0.258492682683788 0.297785447685114 0.274238591193254
|
|
0.305891611562274 0.225717499541394
|
|
Lanczos Diagonal 1 (1.20360025977435,-4.637787454806175E-018)
|
|
(1.24922154085050,3.463425077094228E-017)
|
|
(1.24431216518676,2.985296154192857E-017)
|
|
(1.24676644219225,-4.418010694570633E-017)
|
|
(1.50836821449333,-2.471895588227735E-017)
|
|
(1.50657960632066,-2.816548662254079E-017)
|
|
(1.51017287476266,2.214281766976670E-017)
|
|
(1.25280687348363,-1.843164083227457E-017)
|
|
(0.770473867333356,1.961022886214574E-017)
|
|
(0.753223791067602,-7.305226389171853E-017)
|
|
(0.760516935292581,1.117887614006624E-017)
|
|
(0.630986529384836,-2.032076046471654E-017)
|
|
(0.646688798698158,-1.222170406180082E-016)
|
|
(0.636652362240651,-1.776802054475706E-016)
|
|
(0.664937430850531,-1.039749883413599E-016)
|
|
(0.607193270880721,2.127746763502802E-017)
|
|
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 1.77423074799676 1.72170637357238
|
|
1.91702730986429 1.81041029676092 1.92347025261534
|
|
1.91087683105504 1.93631087518037 1.63469648700476
|
|
0.830252503077112 0.831076164575613 0.830663492207694
|
|
0.660843178676822 0.663297205972429 0.662033617032412
|
|
0.623441486362449 0.695582304082939
|
|
Lanczos alpha (0.678378677738642,2.001320509087363E-017)
|
|
(0.680014414789033,1.383812262497254E-017)
|
|
(0.700637094552025,3.604456044137197E-017)
|
|
(0.688665161113965,3.475527796310523E-019)
|
|
(0.784191122209619,-7.342212530092089E-018)
|
|
(0.783065729651004,2.270181320540898E-017)
|
|
(0.785361706939463,4.990377769075642E-017)
|
|
(0.766384950624200,9.452453580224264E-018)
|
|
(0.915727130027230,-7.431897851842728E-017)
|
|
(0.915379183294584,4.488070132518735E-017)
|
|
(0.915553577989497,1.624776209674474E-017)
|
|
(0.962233932974377,-2.714146155104000E-016)
|
|
(0.961059368591004,-5.243048471694249E-017)
|
|
(0.961661682861713,1.146301662057020E-016)
|
|
(0.974127567152133,1.370379306810977E-016)
|
|
(0.952642605245194,8.105225310982592E-017)
|
|
Lanczos beta 0.734712440067249 0.733198742278741
|
|
0.713517807582752 0.725079510031746 0.620519366214801
|
|
0.621938954436961 0.619037146925071 0.642381590222465
|
|
0.401800725897916 0.402592785319037 0.402196029108479
|
|
0.272223911941365 0.276341980240897 0.274238596327318
|
|
0.225998856002120 0.304092200938550
|
|
Lanczos Diagonal 1 (1.20360030882928,3.550804383819328E-017)
|
|
(1.17078515206337,2.382518392169135E-017)
|
|
(1.34314044456020,6.909840673816406E-017)
|
|
(1.24676649870124,6.292131309119367E-019)
|
|
(1.50836829593524,-1.412252739001175E-017)
|
|
(1.49634215998331,4.338036887715536E-017)
|
|
(1.52070441409710,9.662922745519496E-017)
|
|
(1.25280678647870,1.545189266116817E-017)
|
|
(0.760284741840728,-6.170351794105840E-017)
|
|
(0.760749820784820,3.729928112080033E-017)
|
|
(0.760516932396005,1.349642280384178E-017)
|
|
(0.635885730897487,-1.793624972532401E-016)
|
|
(0.637467993960040,-3.477699402052811E-017)
|
|
(0.636652362266417,7.588902355418748E-017)
|
|
(0.607311538371962,8.543513119185775E-017)
|
|
(0.662641338324025,5.637851296924623E-017)
|
|
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 1.77423055940008 1.91364052113478
|
|
1.72406194321098 1.81041048076784 1.92347034929505
|
|
1.93822417803135 1.90903637854961 1.63469697721858
|
|
0.817960339957319 0.847553094071395 0.830663483013675
|
|
0.679818422421235 0.652443024712816 0.662033610077874
|
|
0.637200460967070 0.638048112694911
|
|
Lanczos alpha (0.678378665174882,-3.100885204638645E-017)
|
|
(0.700233035013580,-2.300941407409720E-017)
|
|
(0.680226988178281,1.908209090824524E-017)
|
|
(0.688665185380920,1.431596085988244E-017)
|
|
(0.784191140211344,-4.625804624796863E-017)
|
|
(0.785538676948772,5.318066026993634E-017)
|
|
(0.782903799889534,-3.786492558007715E-017)
|
|
(0.766384997495765,-5.915641641510093E-017)
|
|
(0.921070209568126,-2.289044724537145E-017)
|
|
(0.908674898024795,2.957196541867837E-017)
|
|
(0.915553579835638,2.702537977294446E-017)
|
|
(0.953597092888841,-9.984647764824342E-017)
|
|
(0.966389424985574,-9.142886705210170E-017)
|
|
(0.961661685219769,1.511824624985059E-016)
|
|
(0.968921418487887,-8.983966304787878E-017)
|
|
(0.968619309080178,-7.068872938891264E-017)
|
|
Lanczos beta 0.734712451667689 0.713914348276927
|
|
0.733001531072006 0.725079486983506 0.620519343464838
|
|
0.618812562103883 0.622142781135108 0.642381534302954
|
|
0.389396544728028 0.417504406802644 0.402196024905949
|
|
0.301085676235106 0.257082631222047 0.274238588058419
|
|
0.247368722346667 0.248549057686886
|
|
Lanczos Diagonal 1 (1.20360015859831,-5.501685291261451E-017)
|
|
(1.33999431003918,-4.403174713976127E-017)
|
|
(1.17275346306320,3.289870673179782E-017)
|
|
(1.24676666935354,2.591776558299330E-017)
|
|
(1.50836840637640,-8.897598037428694E-017)
|
|
(1.52255005644087,1.030760415388617E-016)
|
|
(1.49459183489385,-7.228552040344107E-017)
|
|
(1.25280723879199,-9.670281509684891E-017)
|
|
(0.753398901742903,-1.872347801059910E-017)
|
|
(0.770150221325924,2.506381078837315E-017)
|
|
(0.760516925511910,2.244899609196136E-017)
|
|
(0.648272871313168,-6.787747491914599E-017)
|
|
(0.630514039488067,-5.965212656553914E-017)
|
|
(0.636652357139616,1.000878714283486E-016)
|
|
(0.617397174501349,-5.724587470723463E-017)
|
|
(0.618025722078456,-4.510281037539698E-017)
|
|
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
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 12.32326 -5.26390 -3.32916 )
|
|
( -5.26391 15.68663 -6.19698 )
|
|
( -3.32922 -6.19704 12.49075 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 12.32326 -5.26390 -3.32916 )
|
|
( -5.26391 15.68663 -6.19698 )
|
|
( -3.32922 -6.19704 12.49075 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 13.500215207 0.000000000 0.000000000 )
|
|
( 0.000000000 13.500215207 0.000000000 )
|
|
( 0.000000000 0.000000000 13.500215207 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 12.31866 -5.26153 -3.32769 )
|
|
( -5.26154 15.68072 -6.19427 )
|
|
( -3.32775 -6.19433 12.48613 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 12.31866 -5.26153 -3.32769 )
|
|
( -5.26154 15.68072 -6.19427 )
|
|
( -3.32775 -6.19433 12.48613 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 13.495171807 0.000000000 0.000000000 )
|
|
( 0.000000000 13.495171807 0.000000000 )
|
|
( 0.000000000 0.000000000 13.495171807 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 12.28200 -5.24264 -3.31600 )
|
|
( -5.24266 15.63367 -6.17271 )
|
|
( -3.31606 -6.17277 12.44928 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 12.28200 -5.24264 -3.31600 )
|
|
( -5.24266 15.63367 -6.17271 )
|
|
( -3.31606 -6.17277 12.44928 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 13.454984617 0.000000000 0.000000000 )
|
|
( 0.000000000 13.454984617 0.000000000 )
|
|
( 0.000000000 0.000000000 13.454984617 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 12.20947 -5.20531 -3.29289 )
|
|
( -5.20532 15.54052 -6.13005 )
|
|
( -3.29295 -6.13010 12.37637 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 12.20947 -5.20531 -3.29289 )
|
|
( -5.20532 15.54052 -6.13005 )
|
|
( -3.29295 -6.13010 12.37637 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 13.375453166 0.000000000 0.000000000 )
|
|
( 0.000000000 13.375453166 0.000000000 )
|
|
( 0.000000000 0.000000000 13.375453166 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 12.10257 -5.15034 -3.25892 )
|
|
( -5.15035 15.40317 -6.06719 )
|
|
( -3.25897 -6.06723 12.26890 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 12.10257 -5.15034 -3.25892 )
|
|
( -5.15035 15.40317 -6.06719 )
|
|
( -3.25897 -6.06723 12.26890 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 13.258214718 0.000000000 0.000000000 )
|
|
( 0.000000000 13.258214718 0.000000000 )
|
|
( 0.000000000 0.000000000 13.258214718 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 11.96347 -5.07890 -3.21482 )
|
|
( -5.07891 15.22433 -5.98543 )
|
|
( -3.21487 -5.98547 12.12903 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 11.96347 -5.07890 -3.21482 )
|
|
( -5.07891 15.22433 -5.98543 )
|
|
( -3.21487 -5.98547 12.12903 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 13.105609251 0.000000000 0.000000000 )
|
|
( 0.000000000 13.105609251 0.000000000 )
|
|
( 0.000000000 0.000000000 13.105609251 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 11.79486 -4.99247 -3.16156 )
|
|
( -4.99247 15.00736 -5.88640 )
|
|
( -3.16160 -5.88642 11.95944 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 11.79486 -4.99247 -3.16156 )
|
|
( -4.99247 15.00736 -5.88640 )
|
|
( -3.16160 -5.88642 11.95944 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 12.920554830 0.000000000 0.000000000 )
|
|
( 0.000000000 12.920554830 0.000000000 )
|
|
( 0.000000000 0.000000000 12.920554830 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 11.59982 -4.89270 -3.10019 )
|
|
( -4.89269 14.75615 -5.77193 )
|
|
( -3.10023 -5.77195 11.76323 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 11.59982 -4.89270 -3.10019 )
|
|
( -4.89269 14.75615 -5.77193 )
|
|
( -3.10023 -5.77195 11.76323 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 12.706402718 0.000000000 0.000000000 )
|
|
( 0.000000000 12.706402718 0.000000000 )
|
|
( 0.000000000 0.000000000 12.706402718 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 11.38170 -4.78140 -3.03187 )
|
|
( -4.78139 14.47493 -5.64405 )
|
|
( -3.03190 -5.64406 11.54372 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 11.38170 -4.78140 -3.03187 )
|
|
( -4.78139 14.47493 -5.64405 )
|
|
( -3.03190 -5.64406 11.54372 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 12.466785546 0.000000000 0.000000000 )
|
|
( 0.000000000 12.466785546 0.000000000 )
|
|
( 0.000000000 0.000000000 12.466785546 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 11.14394 -4.66046 -2.95778 )
|
|
( -4.66044 14.16808 -5.50485 )
|
|
( -2.95779 -5.50486 11.30439 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 11.14394 -4.66046 -2.95778 )
|
|
( -4.66044 14.16808 -5.50485 )
|
|
( -2.95779 -5.50486 11.30439 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 12.205470595 0.000000000 0.000000000 )
|
|
( 0.000000000 12.205470595 0.000000000 )
|
|
( 0.000000000 0.000000000 12.205470595 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 10.89001 -4.53172 -2.87906 )
|
|
( -4.53170 13.84001 -5.35643 )
|
|
( -2.87907 -5.35643 11.04867 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 10.89001 -4.53172 -2.87906 )
|
|
( -4.53170 13.84001 -5.35643 )
|
|
( -2.87907 -5.35643 11.04867 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 11.926227647 0.000000000 0.000000000 )
|
|
( 0.000000000 11.926227647 0.000000000 )
|
|
( 0.000000000 0.000000000 11.926227647 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 10.62323 -4.39700 -2.79683 )
|
|
( -4.39697 13.49501 -5.20082 )
|
|
( -2.79683 -5.20081 10.77992 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 10.62323 -4.39700 -2.79683 )
|
|
( -4.39697 13.49501 -5.20082 )
|
|
( -2.79683 -5.20081 10.77992 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 11.632717666 0.000000000 0.000000000 )
|
|
( 0.000000000 11.632717666 0.000000000 )
|
|
( 0.000000000 0.000000000 11.632717666 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 10.34676 -4.25798 -2.71211 )
|
|
( -4.25794 13.13715 -5.03993 )
|
|
( -2.71210 -5.03993 10.50131 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 10.34676 -4.25798 -2.71211 )
|
|
( -4.25794 13.13715 -5.03993 )
|
|
( -2.71210 -5.03993 10.50131 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 11.328405347 0.000000000 0.000000000 )
|
|
( 0.000000000 11.328405347 0.000000000 )
|
|
( 0.000000000 0.000000000 11.328405347 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 10.06352 -4.11621 -2.62583 )
|
|
( -4.11618 12.77021 -4.87556 )
|
|
( -2.62581 -4.87555 10.21575 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 10.06352 -4.11621 -2.62583 )
|
|
( -4.11618 12.77021 -4.87556 )
|
|
( -2.62581 -4.87555 10.21575 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 11.016495895 0.000000000 0.000000000 )
|
|
( 0.000000000 11.016495895 0.000000000 )
|
|
( 0.000000000 0.000000000 11.016495895 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 9.77614 -3.97311 -2.53882 )
|
|
( -3.97307 12.39763 -4.70930 )
|
|
( -2.53880 -4.70930 9.92591 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 9.77614 -3.97311 -2.53882 )
|
|
( -3.97307 12.39763 -4.70930 )
|
|
( -2.53880 -4.70930 9.92591 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 10.699894327 0.000000000 0.000000000 )
|
|
( 0.000000000 10.699894327 0.000000000 )
|
|
( 0.000000000 0.000000000 10.699894327 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 9.48695 -3.82989 -2.45180 )
|
|
( -3.82985 12.02249 -4.54259 )
|
|
( -2.45177 -4.54258 9.63412 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 9.48695 -3.82989 -2.45180 )
|
|
( -3.82985 12.02249 -4.54259 )
|
|
( -2.45177 -4.54258 9.63412 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 10.381184358 0.000000000 0.000000000 )
|
|
( 0.000000000 10.381184358 0.000000000 )
|
|
( 0.000000000 0.000000000 10.381184358 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 9.19797 -3.68762 -2.36538 )
|
|
( -3.68758 11.64746 -4.37666 )
|
|
( -2.36535 -4.37665 9.34244 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 9.19797 -3.68762 -2.36538 )
|
|
( -3.68758 11.64746 -4.37666 )
|
|
( -2.36535 -4.37665 9.34244 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 10.062623306 0.000000000 0.000000000 )
|
|
( 0.000000000 10.062623306 0.000000000 )
|
|
( 0.000000000 0.000000000 10.062623306 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 8.91096 -3.54719 -2.28007 )
|
|
( -3.54715 11.27486 -4.21257 )
|
|
( -2.28004 -4.21256 9.05262 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 8.91096 -3.54719 -2.28007 )
|
|
( -3.54715 11.27486 -4.21257 )
|
|
( -2.28004 -4.21256 9.05262 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 9.746149332 0.000000000 0.000000000 )
|
|
( 0.000000000 9.746149332 0.000000000 )
|
|
( 0.000000000 0.000000000 9.746149332 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 8.62738 -3.40934 -2.19629 )
|
|
( -3.40930 10.90665 -4.05120 )
|
|
( -2.19626 -4.05119 8.76616 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 8.62738 -3.40934 -2.19629 )
|
|
( -3.40930 10.90665 -4.05120 )
|
|
( -2.19626 -4.05119 8.76616 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 9.433397614 0.000000000 0.000000000 )
|
|
( 0.000000000 9.433397614 0.000000000 )
|
|
( 0.000000000 0.000000000 9.433397614 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 8.34844 -3.27467 -2.11438 )
|
|
( -3.27464 10.54445 -3.89327 )
|
|
( -2.11435 -3.89326 8.48428 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 8.34844 -3.27467 -2.11438 )
|
|
( -3.27464 10.54445 -3.89327 )
|
|
( -2.11435 -3.89326 8.48428 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 9.125722445 0.000000000 0.000000000 )
|
|
( 0.000000000 9.125722445 0.000000000 )
|
|
( 0.000000000 0.000000000 9.125722445 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 8.07511 -3.14365 -2.03460 )
|
|
( -3.14362 10.18958 -3.73935 )
|
|
( -2.03457 -3.73934 8.20798 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 8.07511 -3.14365 -2.03460 )
|
|
( -3.14362 10.18958 -3.73935 )
|
|
( -2.03457 -3.73934 8.20798 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 8.824222810 0.000000000 0.000000000 )
|
|
( 0.000000000 8.824222810 0.000000000 )
|
|
( 0.000000000 0.000000000 8.824222810 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 7.94080 -3.07963 -1.99557 )
|
|
( -3.07960 10.01523 -3.66404 )
|
|
( -1.99554 -3.66404 8.07218 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 7.94080 -3.07963 -1.99557 )
|
|
( -3.07960 10.01523 -3.66404 )
|
|
( -1.99554 -3.66404 8.07218 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 8.676069107 0.000000000 0.000000000 )
|
|
( 0.000000000 8.676069107 0.000000000 )
|
|
( 0.000000000 0.000000000 8.676069107 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 7.80817 -3.01664 -1.95715 )
|
|
( -3.01661 9.84309 -3.58990 )
|
|
( -1.95712 -3.58989 7.93805 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 7.80817 -3.01664 -1.95715 )
|
|
( -3.01661 9.84309 -3.58990 )
|
|
( -1.95712 -3.58989 7.93805 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 8.529769506 0.000000000 0.000000000 )
|
|
( 0.000000000 8.529769506 0.000000000 )
|
|
( 0.000000000 0.000000000 8.529769506 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 7.54822 -2.89389 -1.88215 )
|
|
( -2.89386 9.50579 -3.44523 )
|
|
( -1.88213 -3.44522 7.67509 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 7.54822 -2.89389 -1.88215 )
|
|
( -2.89386 9.50579 -3.44523 )
|
|
( -1.88213 -3.44522 7.67509 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 8.243032357 0.000000000 0.000000000 )
|
|
( 0.000000000 8.243032357 0.000000000 )
|
|
( 0.000000000 0.000000000 8.243032357 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 7.29569 -2.77557 -1.80972 )
|
|
( -2.77554 9.17827 -3.30558 )
|
|
( -1.80969 -3.30557 7.41956 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 7.29569 -2.77557 -1.80972 )
|
|
( -2.77554 9.17827 -3.30558 )
|
|
( -1.80969 -3.30557 7.41956 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 7.964506505 0.000000000 0.000000000 )
|
|
( 0.000000000 7.964506505 0.000000000 )
|
|
( 0.000000000 0.000000000 7.964506505 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 7.05088 -2.66178 -1.73990 )
|
|
( -2.66176 8.86096 -3.17108 )
|
|
( -1.73988 -3.17108 7.17177 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 7.05088 -2.66178 -1.73990 )
|
|
( -2.66176 8.86096 -3.17108 )
|
|
( -1.73988 -3.17108 7.17177 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 7.694537108 0.000000000 0.000000000 )
|
|
( 0.000000000 7.694537108 0.000000000 )
|
|
( 0.000000000 0.000000000 7.694537108 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 6.81399 -2.55256 -1.67271 )
|
|
( -2.55254 8.55412 -3.04182 )
|
|
( -1.67269 -3.04182 6.93191 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 6.81399 -2.55256 -1.67271 )
|
|
( -2.55254 8.55412 -3.04182 )
|
|
( -1.67269 -3.04182 6.93191 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 7.433342016 0.000000000 0.000000000 )
|
|
( 0.000000000 7.433342016 0.000000000 )
|
|
( 0.000000000 0.000000000 7.433342016 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 6.58511 -2.44789 -1.60816 )
|
|
( -2.44788 8.25788 -2.91781 )
|
|
( -1.60814 -2.91780 6.70011 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 6.58511 -2.44789 -1.60816 )
|
|
( -2.44788 8.25788 -2.91781 )
|
|
( -1.60814 -2.91780 6.70011 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 7.181032249 0.000000000 0.000000000 )
|
|
( 0.000000000 7.181032249 0.000000000 )
|
|
( 0.000000000 0.000000000 7.181032249 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 6.36425 -2.34774 -1.54621 )
|
|
( -2.34773 7.97227 -2.79900 )
|
|
( -1.54619 -2.79899 6.47637 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 6.36425 -2.34774 -1.54621 )
|
|
( -2.34773 7.97227 -2.79900 )
|
|
( -1.54619 -2.79899 6.47637 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 6.937630211 0.000000000 0.000000000 )
|
|
( 0.000000000 6.937630211 0.000000000 )
|
|
( 0.000000000 0.000000000 6.937630211 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 6.15137 -2.25201 -1.48682 )
|
|
( -2.25200 7.69723 -2.68532 )
|
|
( -1.48681 -2.68532 6.26066 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 6.15137 -2.25201 -1.48682 )
|
|
( -2.25200 7.69723 -2.68532 )
|
|
( -1.48681 -2.68532 6.26066 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 6.703085690 0.000000000 0.000000000 )
|
|
( 0.000000000 6.703085690 0.000000000 )
|
|
( 0.000000000 0.000000000 6.703085690 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 5.94636 -2.16060 -1.42993 )
|
|
( -2.16060 7.43263 -2.57666 )
|
|
( -1.42992 -2.57666 6.05288 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 5.94636 -2.16060 -1.42993 )
|
|
( -2.16060 7.43263 -2.57666 )
|
|
( -1.42992 -2.57666 6.05288 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 6.477289770 0.000000000 0.000000000 )
|
|
( 0.000000000 6.477289770 0.000000000 )
|
|
( 0.000000000 0.000000000 6.477289770 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 5.74909 -2.07339 -1.37548 )
|
|
( -2.07338 7.17827 -2.47290 )
|
|
( -1.37548 -2.47290 5.85289 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 5.74909 -2.07339 -1.37548 )
|
|
( -2.07338 7.17827 -2.47290 )
|
|
( -1.37548 -2.47290 5.85289 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 6.260086814 0.000000000 0.000000000 )
|
|
( 0.000000000 6.260086814 0.000000000 )
|
|
( 0.000000000 0.000000000 6.260086814 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 4.09205 -1.37305 -0.93061 )
|
|
( -1.37306 5.05481 -1.63691 )
|
|
( -0.93061 -1.63691 4.17115 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 4.09205 -1.37305 -0.93061 )
|
|
( -1.37306 5.05481 -1.63691 )
|
|
( -0.93061 -1.63691 4.17115 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 4.439337612 0.000000000 0.000000000 )
|
|
( 0.000000000 4.439337612 0.000000000 )
|
|
( 0.000000000 0.000000000 4.439337612 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 2.34018 -0.70908 -0.49172 )
|
|
( -0.70908 2.84678 -0.84234 )
|
|
( -0.49172 -0.84234 2.38914 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 2.34018 -0.70908 -0.49172 )
|
|
( -0.70908 2.84678 -0.84234 )
|
|
( -0.49172 -0.84234 2.38914 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 2.525363929 0.000000000 0.000000000 )
|
|
( 0.000000000 2.525363929 0.000000000 )
|
|
( 0.000000000 0.000000000 2.525363929 )
|
|
|
|
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
|
|
|
|
( 1.596394899 0.000000000 0.000000000 )
|
|
( 0.000000000 1.596394899 0.000000000 )
|
|
( 0.000000000 0.000000000 1.596394899 )
|
|
|
|
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
|
|
|
|
( 1.091066308 0.000000000 0.000000000 )
|
|
( 0.000000000 1.091066308 0.000000000 )
|
|
( 0.000000000 0.000000000 1.091066308 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.73694 -0.19417 -0.13670 )
|
|
( -0.19417 0.87841 -0.22921 )
|
|
( -0.13671 -0.22921 0.75353 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.73694 -0.19417 -0.13670 )
|
|
( -0.19417 0.87841 -0.22921 )
|
|
( -0.13671 -0.22921 0.75353 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.789630149 0.000000000 0.000000000 )
|
|
( 0.000000000 0.789630149 0.000000000 )
|
|
( 0.000000000 0.000000000 0.789630149 )
|
|
|
|
Unsymmetrized in crystal axis
|
|
|
|
( 0.55743 -0.14371 -0.10128 )
|
|
( -0.14371 0.66242 -0.16951 )
|
|
( -0.10128 -0.16951 0.57006 )
|
|
|
|
Symmetrized in crystal axis
|
|
|
|
( 0.55743 -0.14371 -0.10128 )
|
|
( -0.14371 0.66242 -0.16951 )
|
|
( -0.10128 -0.16951 0.57006 )
|
|
|
|
Dielectric constant in cartesian axis
|
|
|
|
( 0.596634046 0.000000000 0.000000000 )
|
|
( 0.000000000 0.596634046 0.000000000 )
|
|
( 0.000000000 0.000000000 0.596634046 )
|
|
|
|
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
|
|
|
|
( 0.466100776 0.000000000 0.000000000 )
|
|
( 0.000000000 0.466100776 0.000000000 )
|
|
( 0.000000000 0.000000000 0.466100776 )
|
|
|
|
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
|
|
|
|
( 0.373899737 0.000000000 0.000000000 )
|
|
( 0.000000000 0.373899737 0.000000000 )
|
|
( 0.000000000 0.000000000 0.373899737 )
|
|
|
|
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
|
|
|
|
( 0.306452654 0.000000000 0.000000000 )
|
|
( 0.000000000 0.306452654 0.000000000 )
|
|
( 0.000000000 0.000000000 0.306452654 )
|
|
|
|
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
|
|
|
|
( 0.255671754 0.000000000 0.000000000 )
|
|
( 0.000000000 0.255671754 0.000000000 )
|
|
( 0.000000000 0.000000000 0.255671754 )
|
|
|
|
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
|
|
|
|
( 0.216507482 0.000000000 0.000000000 )
|
|
( 0.000000000 0.216507482 0.000000000 )
|
|
( 0.000000000 0.000000000 0.216507482 )
|
|
|
|
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
|
|
|
|
( 0.185680276 0.000000000 0.000000000 )
|
|
( 0.000000000 0.185680276 0.000000000 )
|
|
( 0.000000000 0.000000000 0.185680276 )
|
|
|
|
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
|
|
|
|
( 0.160987550 0.000000000 0.000000000 )
|
|
( 0.000000000 0.160987550 0.000000000 )
|
|
( 0.000000000 0.000000000 0.160987550 )
|
|
|
|
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
|
|
|
|
( 0.140906820 0.000000000 0.000000000 )
|
|
( 0.000000000 0.140906820 0.000000000 )
|
|
( 0.000000000 0.000000000 0.140906820 )
|
|
|
|
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
|
|
|
|
( 0.124359098 0.000000000 0.000000000 )
|
|
( 0.000000000 0.124359098 0.000000000 )
|
|
( 0.000000000 0.000000000 0.124359098 )
|
|
|
|
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
|
|
|
|
( 0.110562788 0.000000000 0.000000000 )
|
|
( 0.000000000 0.110562788 0.000000000 )
|
|
( 0.000000000 0.000000000 0.110562788 )
|
|
|
|
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
|
|
|
|
( 0.098940694 0.000000000 0.000000000 )
|
|
( 0.000000000 0.098940694 0.000000000 )
|
|
( 0.000000000 0.000000000 0.098940694 )
|
|
|
|
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
|
|
|
|
( 0.089059189 0.000000000 0.000000000 )
|
|
( 0.000000000 0.089059189 0.000000000 )
|
|
( 0.000000000 0.000000000 0.089059189 )
|
|
|
|
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
|
|
|
|
( 0.080587469 0.000000000 0.000000000 )
|
|
( 0.000000000 0.080587469 0.000000000 )
|
|
( 0.000000000 0.000000000 0.080587469 )
|
|
|
|
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
|
|
|
|
( 0.073269665 0.000000000 0.000000000 )
|
|
( 0.000000000 0.073269665 0.000000000 )
|
|
( 0.000000000 0.000000000 0.073269665 )
|
|
|
|
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
|
|
|
|
( 0.066905384 0.000000000 0.000000000 )
|
|
( 0.000000000 0.066905384 0.000000000 )
|
|
( 0.000000000 0.000000000 0.066905384 )
|
|
|
|
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
|
|
|
|
( 0.061335892 0.000000000 0.000000000 )
|
|
( 0.000000000 0.061335892 0.000000000 )
|
|
( 0.000000000 0.000000000 0.061335892 )
|
|
|
|
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
|
|
|
|
( 0.056434148 0.000000000 0.000000000 )
|
|
( 0.000000000 0.056434148 0.000000000 )
|
|
( 0.000000000 0.000000000 0.056434148 )
|
|
|
|
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
|
|
|
|
( 0.052097506 0.000000000 0.000000000 )
|
|
( 0.000000000 0.052097506 0.000000000 )
|
|
( 0.000000000 0.000000000 0.052097506 )
|
|
|
|
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
|
|
|
|
( 0.048242309 0.000000000 0.000000000 )
|
|
( 0.000000000 0.048242309 0.000000000 )
|
|
( 0.000000000 0.000000000 0.048242309 )
|
|
|
|
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
|
|
|
|
( 0.044799822 0.000000000 0.000000000 )
|
|
( 0.000000000 0.044799822 0.000000000 )
|
|
( 0.000000000 0.000000000 0.044799822 )
|
|
|
|
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
|
|
|
|
( 0.041713155 0.000000000 0.000000000 )
|
|
( 0.000000000 0.041713155 0.000000000 )
|
|
( 0.000000000 0.000000000 0.041713155 )
|
|
|
|
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
|
|
|
|
( 0.038934892 0.000000000 0.000000000 )
|
|
( 0.000000000 0.038934892 0.000000000 )
|
|
( 0.000000000 0.000000000 0.038934892 )
|
|
|
|
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
|
|
|
|
( 0.036425261 0.000000000 0.000000000 )
|
|
( 0.000000000 0.036425261 0.000000000 )
|
|
( 0.000000000 0.000000000 0.036425261 )
|
|
|
|
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
|
|
|
|
( 0.034150701 0.000000000 0.000000000 )
|
|
( 0.000000000 0.034150701 0.000000000 )
|
|
( 0.000000000 0.000000000 0.034150701 )
|
|
|
|
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
|
|
|
|
( 0.032082735 0.000000000 0.000000000 )
|
|
( 0.000000000 0.032082735 0.000000000 )
|
|
( 0.000000000 0.000000000 0.032082735 )
|
|
|
|
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
|
|
|
|
( 0.030197072 0.000000000 0.000000000 )
|
|
( 0.000000000 0.030197072 0.000000000 )
|
|
( 0.000000000 0.000000000 0.030197072 )
|
|
|
|
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
|
|
|
|
( 0.028472890 0.000000000 0.000000000 )
|
|
( 0.000000000 0.028472890 0.000000000 )
|
|
( 0.000000000 0.000000000 0.028472890 )
|
|
|
|
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
|
|
|
|
( 0.026892256 0.000000000 0.000000000 )
|
|
( 0.000000000 0.026892256 0.000000000 )
|
|
( 0.000000000 0.000000000 0.026892256 )
|
|
|
|
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
|
|
|
|
( 0.025439662 0.000000000 0.000000000 )
|
|
( 0.000000000 0.025439662 0.000000000 )
|
|
( 0.000000000 0.000000000 0.025439662 )
|
|
|
|
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
|
|
|
|
( 0.024101638 0.000000000 0.000000000 )
|
|
( 0.000000000 0.024101638 0.000000000 )
|
|
( 0.000000000 0.000000000 0.024101638 )
|
|
|
|
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
|
|
|
|
( 0.022866443 0.000000000 0.000000000 )
|
|
( 0.000000000 0.022866443 0.000000000 )
|
|
( 0.000000000 0.000000000 0.022866443 )
|
|
|
|
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
|
|
|
|
( 0.021723800 0.000000000 0.000000000 )
|
|
( 0.000000000 0.021723800 0.000000000 )
|
|
( 0.000000000 0.000000000 0.021723800 )
|
|
|
|
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
|
|
|
|
( 0.020664686 0.000000000 0.000000000 )
|
|
( 0.000000000 0.020664686 0.000000000 )
|
|
( 0.000000000 0.000000000 0.020664686 )
|
|
|
|
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
|
|
|
|
( 0.019681152 0.000000000 0.000000000 )
|
|
( 0.000000000 0.019681152 0.000000000 )
|
|
( 0.000000000 0.000000000 0.019681152 )
|
|
|
|
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
|
|
|
|
( 0.018766173 0.000000000 0.000000000 )
|
|
( 0.000000000 0.018766173 0.000000000 )
|
|
( 0.000000000 0.000000000 0.018766173 )
|
|
|
|
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
|
|
|
|
( 0.017913521 0.000000000 0.000000000 )
|
|
( 0.000000000 0.017913521 0.000000000 )
|
|
( 0.000000000 0.000000000 0.017913521 )
|
|
|
|
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
|
|
|
|
( 0.017117661 0.000000000 0.000000000 )
|
|
( 0.000000000 0.017117661 0.000000000 )
|
|
( 0.000000000 0.000000000 0.017117661 )
|
|
|
|
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
|
|
|
|
( 0.016373658 0.000000000 0.000000000 )
|
|
( 0.000000000 0.016373658 0.000000000 )
|
|
( 0.000000000 0.000000000 0.016373658 )
|
|
|
|
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
|
|
|
|
( 0.015677103 0.000000000 0.000000000 )
|
|
( 0.000000000 0.015677103 0.000000000 )
|
|
( 0.000000000 0.000000000 0.015677103 )
|
|
|
|
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
|
|
|
|
( 0.015024044 0.000000000 0.000000000 )
|
|
( 0.000000000 0.015024044 0.000000000 )
|
|
( 0.000000000 0.000000000 0.015024044 )
|
|
|
|
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
|
|
|
|
( 0.014410935 0.000000000 0.000000000 )
|
|
( 0.000000000 0.014410935 0.000000000 )
|
|
( 0.000000000 0.000000000 0.014410935 )
|
|
|
|
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
|
|
|
|
( 0.013834581 0.000000000 0.000000000 )
|
|
( 0.000000000 0.013834581 0.000000000 )
|
|
( 0.000000000 0.000000000 0.013834581 )
|
|
|
|
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
|
|
|
|
( 0.013292103 0.000000000 0.000000000 )
|
|
( 0.000000000 0.013292103 0.000000000 )
|
|
( 0.000000000 0.000000000 0.013292103 )
|
|
|
|
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
|
|
|
|
( 0.012780897 0.000000000 0.000000000 )
|
|
( 0.000000000 0.012780897 0.000000000 )
|
|
( 0.000000000 0.000000000 0.012780897 )
|
|
|
|
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
|
|
|
|
( 0.012298605 0.000000000 0.000000000 )
|
|
( 0.000000000 0.012298605 0.000000000 )
|
|
( 0.000000000 0.000000000 0.012298605 )
|
|
|
|
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
|
|
|
|
( 0.011843087 0.000000000 0.000000000 )
|
|
( 0.000000000 0.011843087 0.000000000 )
|
|
( 0.000000000 0.000000000 0.011843087 )
|
|
|
|
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
|
|
|
|
( 0.011412398 0.000000000 0.000000000 )
|
|
( 0.000000000 0.011412398 0.000000000 )
|
|
( 0.000000000 0.000000000 0.011412398 )
|
|
|
|
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
|
|
|
|
( 0.011004766 0.000000000 0.000000000 )
|
|
( 0.000000000 0.011004766 0.000000000 )
|
|
( 0.000000000 0.000000000 0.011004766 )
|
|
|
|
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
|
|
|
|
( 0.010618573 0.000000000 0.000000000 )
|
|
( 0.000000000 0.010618573 0.000000000 )
|
|
( 0.000000000 0.000000000 0.010618573 )
|
|
|
|
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
|
|
|
|
( 0.010252343 0.000000000 0.000000000 )
|
|
( 0.000000000 0.010252343 0.000000000 )
|
|
( 0.000000000 0.000000000 0.010252343 )
|
|
|
|
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
|
|
|
|
( 0.009904724 0.000000000 0.000000000 )
|
|
( 0.000000000 0.009904724 0.000000000 )
|
|
( 0.000000000 0.000000000 0.009904724 )
|
|
|
|
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
|
|
|
|
( 0.009574475 0.000000000 0.000000000 )
|
|
( 0.000000000 0.009574475 0.000000000 )
|
|
( 0.000000000 0.000000000 0.009574475 )
|
|
|
|
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
|
|
|
|
( 0.009260459 0.000000000 0.000000000 )
|
|
( 0.000000000 0.009260459 0.000000000 )
|
|
( 0.000000000 0.000000000 0.009260459 )
|
|
|
|
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
|
|
|
|
( 0.008961629 0.000000000 0.000000000 )
|
|
( 0.000000000 0.008961629 0.000000000 )
|
|
( 0.000000000 0.000000000 0.008961629 )
|
|
|
|
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
|
|
|
|
( 0.008677023 0.000000000 0.000000000 )
|
|
( 0.000000000 0.008677023 0.000000000 )
|
|
( 0.000000000 0.000000000 0.008677023 )
|
|
|
|
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
|
|
|
|
( 0.008405750 0.000000000 0.000000000 )
|
|
( 0.000000000 0.008405750 0.000000000 )
|
|
( 0.000000000 0.000000000 0.008405750 )
|
|
|
|
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
|
|
|
|
( 0.008146993 0.000000000 0.000000000 )
|
|
( 0.000000000 0.008146993 0.000000000 )
|
|
( 0.000000000 0.000000000 0.008146993 )
|
|
|
|
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
|
|
|
|
( 0.007899992 0.000000000 0.000000000 )
|
|
( 0.000000000 0.007899992 0.000000000 )
|
|
( 0.000000000 0.000000000 0.007899992 )
|
|
|
|
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
|
|
|
|
( 0.007664047 0.000000000 0.000000000 )
|
|
( 0.000000000 0.007664047 0.000000000 )
|
|
( 0.000000000 0.000000000 0.007664047 )
|
|
|
|
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
|
|
|
|
( 0.007438508 0.000000000 0.000000000 )
|
|
( 0.000000000 0.007438508 0.000000000 )
|
|
( 0.000000000 0.000000000 0.007438508 )
|
|
|
|
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
|
|
|
|
( 0.007222771 0.000000000 0.000000000 )
|
|
( 0.000000000 0.007222771 0.000000000 )
|
|
( 0.000000000 0.000000000 0.007222771 )
|
|
|
|
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
|
|
|
|
( 0.007016278 0.000000000 0.000000000 )
|
|
( 0.000000000 0.007016278 0.000000000 )
|
|
( 0.000000000 0.000000000 0.007016278 )
|
|
|
|
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
|
|
|
|
( 0.006818507 0.000000000 0.000000000 )
|
|
( 0.000000000 0.006818507 0.000000000 )
|
|
( 0.000000000 0.000000000 0.006818507 )
|
|
|
|
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
|
|
|
|
( 0.006628975 0.000000000 0.000000000 )
|
|
( 0.000000000 0.006628975 0.000000000 )
|
|
( 0.000000000 0.000000000 0.006628975 )
|
|
|
|
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
|
|
|
|
( 0.006447230 0.000000000 0.000000000 )
|
|
( 0.000000000 0.006447230 0.000000000 )
|
|
( 0.000000000 0.000000000 0.006447230 )
|
|
|
|
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
|
|
|
|
( 0.006272852 0.000000000 0.000000000 )
|
|
( 0.000000000 0.006272852 0.000000000 )
|
|
( 0.000000000 0.000000000 0.006272852 )
|
|
|
|
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
|
|
|
|
( 0.006105448 0.000000000 0.000000000 )
|
|
( 0.000000000 0.006105448 0.000000000 )
|
|
( 0.000000000 0.000000000 0.006105448 )
|
|
|
|
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
|
|
|
|
( 0.005944651 0.000000000 0.000000000 )
|
|
( 0.000000000 0.005944651 0.000000000 )
|
|
( 0.000000000 0.000000000 0.005944651 )
|
|
|
|
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
|
|
|
|
( 0.005790118 0.000000000 0.000000000 )
|
|
( 0.000000000 0.005790118 0.000000000 )
|
|
( 0.000000000 0.000000000 0.005790118 )
|
|
|
|
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
|
|
|
|
( 0.005641528 0.000000000 0.000000000 )
|
|
( 0.000000000 0.005641528 0.000000000 )
|
|
( 0.000000000 0.000000000 0.005641528 )
|
|
|
|
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
|
|
|
|
( 0.005498581 0.000000000 0.000000000 )
|
|
( 0.000000000 0.005498581 0.000000000 )
|
|
( 0.000000000 0.000000000 0.005498581 )
|
|
|
|
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
|
|
|
|
( 0.005360994 0.000000000 0.000000000 )
|
|
( 0.000000000 0.005360994 0.000000000 )
|
|
( 0.000000000 0.000000000 0.005360994 )
|
|
|
|
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
|
|
|
|
( 0.005228503 0.000000000 0.000000000 )
|
|
( 0.000000000 0.005228503 0.000000000 )
|
|
( 0.000000000 0.000000000 0.005228503 )
|
|
|
|
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 )
|
|
|
|
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 )
|
|
|
|
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
|
|
|
|
( 0.004859194 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004859194 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004859194 )
|
|
|
|
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
|
|
|
|
( 0.004744746 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004744746 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004744746 )
|
|
|
|
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
|
|
|
|
( 0.004634291 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004634291 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004634291 )
|
|
|
|
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 )
|
|
|
|
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
|
|
|
|
( 0.004424636 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004424636 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004424636 )
|
|
|
|
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
|
|
|
|
( 0.004325100 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004325100 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004325100 )
|
|
|
|
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
|
|
|
|
( 0.004228882 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004228882 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004228882 )
|
|
|
|
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
|
|
|
|
( 0.004135837 0.000000000 0.000000000 )
|
|
( 0.000000000 0.004135837 0.000000000 )
|
|
( 0.000000000 0.000000000 0.004135837 )
|
|
|
|
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 )
|
|
|
|
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
|
|
|
|
( 0.003958721 0.000000000 0.000000000 )
|
|
( 0.000000000 0.003958721 0.000000000 )
|
|
( 0.000000000 0.000000000 0.003958721 )
|
|
|
|
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
|
|
|
|
( 0.003874396 0.000000000 0.000000000 )
|
|
( 0.000000000 0.003874396 0.000000000 )
|
|
( 0.000000000 0.000000000 0.003874396 )
|
|
|
|
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 )
|
|
|
|
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 )
|
|
|
|
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 )
|
|
|
|
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
|
|
|
|
( 0.003562652 0.000000000 0.000000000 )
|
|
( 0.000000000 0.003562652 0.000000000 )
|
|
( 0.000000000 0.000000000 0.003562652 )
|
|
ATT02
|
|
ATT1
|
|
ATT2
|
|
|
|
PHONON : 14m29.87s CPU 1m 6.28s WALL
|
|
|
|
INITIALIZATION:
|
|
phq_setup : 0.06s CPU 0.06s WALL ( 1 calls)
|
|
phq_init : 0.37s CPU 0.08s WALL ( 1 calls)
|
|
|
|
phq_init : 0.37s CPU 0.08s WALL ( 1 calls)
|
|
init_vloc : 0.07s CPU 0.01s WALL ( 1 calls)
|
|
init_us_1 : 0.24s CPU 0.02s WALL ( 1 calls)
|
|
|
|
|
|
|
|
|
|
ortho : 0.14s CPU 0.01s WALL ( 12 calls)
|
|
cgsolve : 73.63s CPU 4.85s WALL ( 12 calls)
|
|
|
|
|
|
cgsolve : 73.63s CPU 4.85s WALL ( 12 calls)
|
|
ch_psi : 71.33s CPU 4.68s WALL ( 293 calls)
|
|
|
|
ch_psi : 71.33s CPU 4.68s WALL ( 293 calls)
|
|
h_psi : 157.63s CPU 10.26s WALL ( 653 calls)
|
|
last : 5.08s CPU 0.35s WALL ( 293 calls)
|
|
|
|
h_psi : 157.63s CPU 10.26s WALL ( 653 calls)
|
|
add_vuspsi : 3.24s CPU 0.23s WALL ( 653 calls)
|
|
|
|
|
|
|
|
General routines
|
|
calbec : 5.85s CPU 0.43s WALL ( 1010 calls)
|
|
fft : 4.89s CPU 0.38s WALL ( 388 calls)
|
|
fftw : 330.26s CPU 21.48s WALL ( 44100 calls)
|
|
davcio : 0.32s CPU 0.02s WALL ( 48 calls)
|
|
|
|
|
|
PHONON : 14m29.87s CPU 1m 6.28s WALL
|
|
|
|
|
|
This run was terminated on: 22:17:46 14Dec2018
|
|
|
|
=------------------------------------------------------------------------------=
|
|
JOB DONE.
|
|
=------------------------------------------------------------------------------=
|