----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:27:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.982088715060624 -5.787364704999999 0.000000000000000 b 2.982088715060624 5.787364704999999 0.000000000000000 c -0.668154256131738 0.000000000000000 8.027428099742259 Atomic positions (fractional): *1 Li 0.04565528105865 0.44496882395525 0.86062051313628 6.941 2 Li 0.95434471894135 0.55503117604475 0.13937948686372 6.941 3 Li 0.44496882395525 0.04565528105865 0.36062051313628 6.941 4 Li 0.55503117604475 0.95434471894135 0.63937948686372 6.941 *5 F 0.87295525622217 0.12704474377783 0.75000000000000 18.998 *6 F 0.68195501168913 0.31804498831087 0.25000000000000 18.998 7 F 0.12704474377783 0.87295525622217 0.25000000000000 18.998 8 F 0.31804498831087 0.68195501168913 0.75000000000000 18.998 *9 F 0.42417118262493 0.13776457064870 0.57936973790581 18.998 10 F 0.86223542935130 0.57582881737507 0.92063026209419 18.998 11 F 0.57582881737507 0.86223542935130 0.42063026209420 18.998 12 F 0.13776457064870 0.42417118262493 0.07936973790580 18.998 *13 Cs 0.14460899077469 0.32762257814357 0.43192531481731 132.905 14 Cs 0.67237742185643 0.85539100922531 0.06807468518269 132.905 15 Cs 0.85539100922531 0.67237742185643 0.56807468518269 132.905 16 Cs 0.32762257814357 0.14460899077469 0.93192531481731 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.964177430121248 0.000000000000000 0.000000000000000 b 0.000000000000000 11.574729409999998 0.000000000000000 c -0.668154256131738 0.000000000000000 8.027428099742259 Atomic positions (fractional): *1 Li 0.24531205250695 0.19965677144830 0.86062051313628 6.941 > 1 2 Li 0.25468794749305 0.30034322855170 0.13937948686372 6.941 > 2 3 Li 0.74531205250695 0.30034322855170 0.36062051313628 6.941 > 3 4 Li 0.75468794749305 0.19965677144830 0.63937948686372 6.941 > 4 5 Li 0.74531205250695 0.69965677144830 0.86062051313628 6.941 > 1 6 Li 0.75468794749305 0.80034322855170 0.13937948686372 6.941 > 2 7 Li 0.24531205250695 0.80034322855170 0.36062051313628 6.941 > 3 8 Li 0.25468794749305 0.69965677144830 0.63937948686372 6.941 > 4 *9 F 0.00000000000000 0.12704474377783 0.75000000000000 18.998 > 5 *10 F 0.00000000000000 0.31804498831087 0.25000000000000 18.998 > 6 11 F 0.50000000000000 0.37295525622217 0.25000000000000 18.998 > 7 12 F 0.50000000000000 0.18195501168913 0.75000000000000 18.998 > 8 *13 F 0.78096787663682 0.35679669401189 0.57936973790581 18.998 > 9 14 F 0.21903212336318 0.35679669401189 0.92063026209419 18.998 > 10 15 F 0.71903212336318 0.14320330598812 0.42063026209420 18.998 > 11 16 F 0.28096787663682 0.14320330598812 0.07936973790580 18.998 > 12 17 F 0.50000000000000 0.62704474377783 0.75000000000000 18.998 > 5 18 F 0.50000000000000 0.81804498831087 0.25000000000000 18.998 > 6 19 F 0.00000000000000 0.87295525622217 0.25000000000000 18.998 > 7 20 F 0.00000000000000 0.68195501168913 0.75000000000000 18.998 > 8 21 F 0.28096787663682 0.85679669401188 0.57936973790581 18.998 > 9 22 F 0.71903212336318 0.85679669401188 0.92063026209419 18.998 > 10 23 F 0.21903212336318 0.64320330598812 0.42063026209420 18.998 > 11 24 F 0.78096787663682 0.64320330598812 0.07936973790580 18.998 > 12 *25 Cs 0.23611578445913 0.09150679368444 0.43192531481731 132.905 > 13 26 Cs 0.76388421554087 0.09150679368444 0.06807468518269 132.905 > 14 27 Cs 0.26388421554087 0.40849320631556 0.56807468518269 132.905 > 15 28 Cs 0.73611578445913 0.40849320631556 0.93192531481731 132.905 > 16 29 Cs 0.73611578445913 0.59150679368444 0.43192531481731 132.905 > 13 30 Cs 0.26388421554087 0.59150679368444 0.06807468518269 132.905 > 14 31 Cs 0.76388421554087 0.90849320631556 0.56807468518269 132.905 > 15 32 Cs 0.23611578445913 0.90849320631556 0.93192531481731 132.905 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.928354860242496 0.000000000000000 0.000000000000000 b 0.000000000000000 11.574729409999998 0.000000000000000 c -1.336308512263476 0.000000000000000 16.054856199484519 Atomic positions (fractional): *1 Li 0.12265602625347 0.19965677144830 0.43031025656814 6.941 > 1 2 Li 0.62265602625347 0.19965677144830 0.43031025656814 6.941 > 1 3 Li 0.12265602625347 0.19965677144830 0.93031025656814 6.941 > 1 4 Li 0.62265602625347 0.19965677144830 0.93031025656814 6.941 > 1 5 Li 0.12734397374653 0.30034322855170 0.06968974343186 6.941 > 2 6 Li 0.62734397374653 0.30034322855170 0.06968974343186 6.941 > 2 7 Li 0.12734397374653 0.30034322855170 0.56968974343186 6.941 > 2 8 Li 0.62734397374653 0.30034322855170 0.56968974343186 6.941 > 2 9 Li 0.37265602625347 0.30034322855170 0.18031025656814 6.941 > 3 10 Li 0.87265602625347 0.30034322855170 0.18031025656814 6.941 > 3 11 Li 0.37265602625347 0.30034322855170 0.68031025656814 6.941 > 3 12 Li 0.87265602625347 0.30034322855170 0.68031025656814 6.941 > 3 13 Li 0.37734397374653 0.19965677144830 0.31968974343186 6.941 > 4 14 Li 0.87734397374653 0.19965677144830 0.31968974343186 6.941 > 4 15 Li 0.37734397374653 0.19965677144830 0.81968974343186 6.941 > 4 16 Li 0.87734397374653 0.19965677144830 0.81968974343186 6.941 > 4 17 Li 0.37265602625347 0.69965677144830 0.43031025656814 6.941 > 1 18 Li 0.87265602625347 0.69965677144830 0.43031025656814 6.941 > 1 19 Li 0.37265602625347 0.69965677144830 0.93031025656814 6.941 > 1 20 Li 0.87265602625347 0.69965677144830 0.93031025656814 6.941 > 1 21 Li 0.37734397374653 0.80034322855170 0.06968974343186 6.941 > 2 22 Li 0.87734397374653 0.80034322855170 0.06968974343186 6.941 > 2 23 Li 0.37734397374653 0.80034322855170 0.56968974343186 6.941 > 2 24 Li 0.87734397374653 0.80034322855170 0.56968974343186 6.941 > 2 25 Li 0.12265602625347 0.80034322855170 0.18031025656814 6.941 > 3 26 Li 0.62265602625347 0.80034322855170 0.18031025656814 6.941 > 3 27 Li 0.12265602625347 0.80034322855170 0.68031025656814 6.941 > 3 28 Li 0.62265602625347 0.80034322855170 0.68031025656814 6.941 > 3 29 Li 0.12734397374653 0.69965677144830 0.31968974343186 6.941 > 4 30 Li 0.62734397374653 0.69965677144830 0.31968974343186 6.941 > 4 31 Li 0.12734397374653 0.69965677144830 0.81968974343186 6.941 > 4 32 Li 0.62734397374653 0.69965677144830 0.81968974343186 6.941 > 4 *33 F 0.00000000000000 0.12704474377783 0.37500000000000 18.998 > 5 34 F 0.50000000000000 0.12704474377783 0.37500000000000 18.998 > 5 35 F 0.00000000000000 0.12704474377783 0.87500000000000 18.998 > 5 36 F 0.50000000000000 0.12704474377783 0.87500000000000 18.998 > 5 *37 F 0.00000000000000 0.31804498831087 0.12500000000000 18.998 > 6 38 F 0.50000000000000 0.31804498831087 0.12500000000000 18.998 > 6 39 F 0.00000000000000 0.31804498831087 0.62500000000000 18.998 > 6 40 F 0.50000000000000 0.31804498831087 0.62500000000000 18.998 > 6 41 F 0.25000000000000 0.37295525622217 0.12500000000000 18.998 > 7 42 F 0.75000000000000 0.37295525622217 0.12500000000000 18.998 > 7 43 F 0.25000000000000 0.37295525622217 0.62500000000000 18.998 > 7 44 F 0.75000000000000 0.37295525622217 0.62500000000000 18.998 > 7 45 F 0.25000000000000 0.18195501168913 0.37500000000000 18.998 > 8 46 F 0.75000000000000 0.18195501168913 0.37500000000000 18.998 > 8 47 F 0.25000000000000 0.18195501168913 0.87500000000000 18.998 > 8 48 F 0.75000000000000 0.18195501168913 0.87500000000000 18.998 > 8 *49 F 0.39048393831841 0.35679669401189 0.28968486895290 18.998 > 9 50 F 0.89048393831841 0.35679669401189 0.28968486895290 18.998 > 9 51 F 0.39048393831841 0.35679669401189 0.78968486895290 18.998 > 9 52 F 0.89048393831841 0.35679669401189 0.78968486895290 18.998 > 9 53 F 0.10951606168159 0.35679669401189 0.46031513104710 18.998 > 10 54 F 0.60951606168159 0.35679669401189 0.46031513104710 18.998 > 10 55 F 0.10951606168159 0.35679669401189 0.96031513104710 18.998 > 10 56 F 0.60951606168159 0.35679669401189 0.96031513104710 18.998 > 10 57 F 0.35951606168159 0.14320330598812 0.21031513104710 18.998 > 11 58 F 0.85951606168159 0.14320330598812 0.21031513104710 18.998 > 11 59 F 0.35951606168159 0.14320330598812 0.71031513104710 18.998 > 11 60 F 0.85951606168159 0.14320330598812 0.71031513104710 18.998 > 11 61 F 0.14048393831841 0.14320330598812 0.03968486895290 18.998 > 12 62 F 0.64048393831841 0.14320330598812 0.03968486895290 18.998 > 12 63 F 0.14048393831841 0.14320330598812 0.53968486895290 18.998 > 12 64 F 0.64048393831841 0.14320330598812 0.53968486895290 18.998 > 12 65 F 0.25000000000000 0.62704474377783 0.37500000000000 18.998 > 5 66 F 0.75000000000000 0.62704474377783 0.37500000000000 18.998 > 5 67 F 0.25000000000000 0.62704474377783 0.87500000000000 18.998 > 5 68 F 0.75000000000000 0.62704474377783 0.87500000000000 18.998 > 5 69 F 0.25000000000000 0.81804498831087 0.12500000000000 18.998 > 6 70 F 0.75000000000000 0.81804498831087 0.12500000000000 18.998 > 6 71 F 0.25000000000000 0.81804498831087 0.62500000000000 18.998 > 6 72 F 0.75000000000000 0.81804498831087 0.62500000000000 18.998 > 6 73 F 0.00000000000000 0.87295525622217 0.12500000000000 18.998 > 7 74 F 0.50000000000000 0.87295525622217 0.12500000000000 18.998 > 7 75 F 0.00000000000000 0.87295525622217 0.62500000000000 18.998 > 7 76 F 0.50000000000000 0.87295525622217 0.62500000000000 18.998 > 7 77 F 0.00000000000000 0.68195501168913 0.37500000000000 18.998 > 8 78 F 0.50000000000000 0.68195501168913 0.37500000000000 18.998 > 8 79 F 0.00000000000000 0.68195501168913 0.87500000000000 18.998 > 8 80 F 0.50000000000000 0.68195501168913 0.87500000000000 18.998 > 8 81 F 0.14048393831841 0.85679669401188 0.28968486895290 18.998 > 9 82 F 0.64048393831841 0.85679669401188 0.28968486895290 18.998 > 9 83 F 0.14048393831841 0.85679669401188 0.78968486895290 18.998 > 9 84 F 0.64048393831841 0.85679669401188 0.78968486895290 18.998 > 9 85 F 0.35951606168159 0.85679669401188 0.46031513104710 18.998 > 10 86 F 0.85951606168159 0.85679669401188 0.46031513104710 18.998 > 10 87 F 0.35951606168159 0.85679669401188 0.96031513104710 18.998 > 10 88 F 0.85951606168159 0.85679669401188 0.96031513104710 18.998 > 10 89 F 0.10951606168159 0.64320330598812 0.21031513104710 18.998 > 11 90 F 0.60951606168159 0.64320330598812 0.21031513104710 18.998 > 11 91 F 0.10951606168159 0.64320330598812 0.71031513104710 18.998 > 11 92 F 0.60951606168159 0.64320330598812 0.71031513104710 18.998 > 11 93 F 0.39048393831841 0.64320330598812 0.03968486895290 18.998 > 12 94 F 0.89048393831841 0.64320330598812 0.03968486895290 18.998 > 12 95 F 0.39048393831841 0.64320330598812 0.53968486895290 18.998 > 12 96 F 0.89048393831841 0.64320330598812 0.53968486895290 18.998 > 12 *97 Cs 0.11805789222956 0.09150679368444 0.21596265740866 132.905 > 13 98 Cs 0.61805789222956 0.09150679368444 0.21596265740866 132.905 > 13 99 Cs 0.11805789222956 0.09150679368444 0.71596265740866 132.905 > 13 100 Cs 0.61805789222956 0.09150679368444 0.71596265740866 132.905 > 13 101 Cs 0.38194210777044 0.09150679368444 0.03403734259134 132.905 > 14 102 Cs 0.88194210777044 0.09150679368444 0.03403734259134 132.905 > 14 103 Cs 0.38194210777044 0.09150679368444 0.53403734259134 132.905 > 14 104 Cs 0.88194210777044 0.09150679368444 0.53403734259134 132.905 > 14 105 Cs 0.13194210777044 0.40849320631556 0.28403734259134 132.905 > 15 106 Cs 0.63194210777044 0.40849320631556 0.28403734259134 132.905 > 15 107 Cs 0.13194210777044 0.40849320631556 0.78403734259134 132.905 > 15 108 Cs 0.63194210777044 0.40849320631556 0.78403734259134 132.905 > 15 109 Cs 0.36805789222956 0.40849320631556 0.46596265740866 132.905 > 16 110 Cs 0.86805789222956 0.40849320631556 0.46596265740866 132.905 > 16 111 Cs 0.36805789222956 0.40849320631556 0.96596265740866 132.905 > 16 112 Cs 0.86805789222956 0.40849320631556 0.96596265740866 132.905 > 16 113 Cs 0.36805789222956 0.59150679368444 0.21596265740866 132.905 > 13 114 Cs 0.86805789222956 0.59150679368444 0.21596265740866 132.905 > 13 115 Cs 0.36805789222956 0.59150679368444 0.71596265740866 132.905 > 13 116 Cs 0.86805789222956 0.59150679368444 0.71596265740866 132.905 > 13 117 Cs 0.13194210777044 0.59150679368444 0.03403734259134 132.905 > 14 118 Cs 0.63194210777044 0.59150679368444 0.03403734259134 132.905 > 14 119 Cs 0.13194210777044 0.59150679368444 0.53403734259134 132.905 > 14 120 Cs 0.63194210777044 0.59150679368444 0.53403734259134 132.905 > 14 121 Cs 0.38194210777044 0.90849320631556 0.28403734259134 132.905 > 15 122 Cs 0.88194210777044 0.90849320631556 0.28403734259134 132.905 > 15 123 Cs 0.38194210777044 0.90849320631556 0.78403734259134 132.905 > 15 124 Cs 0.88194210777044 0.90849320631556 0.78403734259134 132.905 > 15 125 Cs 0.11805789222956 0.90849320631556 0.46596265740866 132.905 > 16 126 Cs 0.61805789222956 0.90849320631556 0.46596265740866 132.905 > 16 127 Cs 0.11805789222956 0.90849320631556 0.96596265740866 132.905 > 16 128 Cs 0.61805789222956 0.90849320631556 0.96596265740866 132.905 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3458346 0.0000000 0.0066131 0.0000000 2.3344291 0.0000000 0.0066142 0.0000000 2.3335532 -------------------------- Born effective charges -------------------------- 1 Li 0.9581575 0.0379590 -0.0185029 0.0433887 1.0495087 -0.0206651 -0.0109458 -0.0167796 0.9997217 2 Li 0.9581575 0.0379590 -0.0185029 0.0433887 1.0495087 -0.0206651 -0.0109458 -0.0167796 0.9997217 3 Li 0.9581575 -0.0379590 -0.0185029 -0.0433887 1.0495087 0.0206651 -0.0109458 0.0167796 0.9997217 4 Li 0.9581575 -0.0379590 -0.0185029 -0.0433887 1.0495087 0.0206651 -0.0109458 0.0167796 0.9997217 5 F -1.1110776 0.0000000 0.0356079 0.0000000 -1.1191087 0.0000000 0.0286984 0.0000000 -1.2477826 6 F -1.1474451 0.0000000 -0.0720770 0.0000000 -1.1018262 0.0000000 -0.0689449 0.0000000 -1.2336069 7 F -1.1110776 0.0000000 0.0356079 0.0000000 -1.1191087 0.0000000 0.0286984 0.0000000 -1.2477826 8 F -1.1474451 0.0000000 -0.0720770 0.0000000 -1.1018262 0.0000000 -0.0689449 0.0000000 -1.2336069 9 F -1.2070465 0.0025961 0.0483205 -0.0050168 -1.1612260 0.0295467 0.0441190 0.0356008 -1.1768765 10 F -1.2070465 -0.0025961 0.0483205 0.0050168 -1.1612260 -0.0295467 0.0441190 -0.0356008 -1.1768765 11 F -1.2070465 0.0025961 0.0483205 -0.0050168 -1.1612260 0.0295467 0.0441190 0.0356008 -1.1768765 12 F -1.2070465 -0.0025961 0.0483205 0.0050168 -1.1612260 -0.0295467 0.0441190 -0.0356008 -1.1768765 13 Cs 1.3781505 0.0392125 -0.0115830 0.0368544 1.2221848 -0.0430302 -0.0130499 -0.0555546 1.4178495 14 Cs 1.3781505 -0.0392125 -0.0115830 -0.0368544 1.2221848 0.0430302 -0.0130499 0.0555546 1.4178495 15 Cs 1.3781505 0.0392125 -0.0115830 0.0368544 1.2221848 -0.0430302 -0.0130499 -0.0555546 1.4178495 16 Cs 1.3781505 -0.0392125 -0.0115830 -0.0368544 1.2221848 0.0430302 -0.0130499 0.0555546 1.4178495 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 11136/11136 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2428 Number of blocks in projector: 2428 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 241 eigenvectors found. (2) Block: 520 / 520 (2) 263 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 511 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 250 eigenvectors found. (2) Complementary block size: 10 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 250 eigenvectors found. (2) Complementary block size: 10 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 300 Use standard eigh solver. Tree of FC basis block matrices: - (2428, 2392), data: False |-- (300, 295), data: True |-- (300, 295), data: True |-- (300, 295), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 4), data: (504, 10) @ (10, 4) |-- (254, 250), data: True |-- (250, 244), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 4), data: (504, 10) @ (10, 4) |-- (254, 250), data: True |-- (250, 244), data: True |-- (520, 511), data: False |-- (520, 511), data: False |-- (520, 7), data: (520, 16) @ (16, 7) |-- (270, 263), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.888 Solver_block: 200 / 480 - Time: 0.866 Solver_block: 300 / 480 - Time: 0.856 Solver_block: 400 / 480 - Time: 0.871 Solver_block: 480 / 480 - Time: 0.695 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.267 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 11136/11136 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2428 Number of blocks in projector: 2428 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 241 eigenvectors found. (2) Block: 520 / 520 (2) 263 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 511 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 250 eigenvectors found. (2) Complementary block size: 10 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 250 eigenvectors found. (2) Complementary block size: 10 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 300 Use standard eigh solver. Tree of FC basis block matrices: - (2428, 2392), data: False |-- (300, 295), data: True |-- (300, 295), data: True |-- (300, 295), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 4), data: (504, 10) @ (10, 4) |-- (254, 250), data: True |-- (250, 244), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 4), data: (504, 10) @ (10, 4) |-- (254, 250), data: True |-- (250, 244), data: True |-- (520, 511), data: False |-- (520, 511), data: False |-- (520, 7), data: (520, 16) @ (16, 7) |-- (270, 263), data: True |-- (250, 241), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:27:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:27:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.982088715060624 -5.787364704999999 0.000000000000000 b 2.982088715060624 5.787364704999999 0.000000000000000 c -0.668154256131738 0.000000000000000 8.027428099742259 Atomic positions (fractional): 1 Li 0.04565528105865 0.44496882395525 0.86062051313628 6.941 2 Li 0.95434471894135 0.55503117604475 0.13937948686372 6.941 3 Li 0.44496882395525 0.04565528105865 0.36062051313628 6.941 4 Li 0.55503117604475 0.95434471894135 0.63937948686372 6.941 5 F 0.87295525622217 0.12704474377783 0.75000000000000 18.998 6 F 0.68195501168913 0.31804498831087 0.25000000000000 18.998 7 F 0.12704474377783 0.87295525622217 0.25000000000000 18.998 8 F 0.31804498831087 0.68195501168913 0.75000000000000 18.998 9 F 0.42417118262493 0.13776457064870 0.57936973790581 18.998 10 F 0.86223542935130 0.57582881737507 0.92063026209419 18.998 11 F 0.57582881737507 0.86223542935130 0.42063026209420 18.998 12 F 0.13776457064870 0.42417118262493 0.07936973790580 18.998 13 Cs 0.14460899077469 0.32762257814357 0.43192531481731 132.905 14 Cs 0.67237742185643 0.85539100922531 0.06807468518269 132.905 15 Cs 0.85539100922531 0.67237742185643 0.56807468518269 132.905 16 Cs 0.32762257814357 0.14460899077469 0.93192531481731 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.928354860242496 0.000000000000000 0.000000000000000 b 0.000000000000000 11.574729409999998 0.000000000000000 c -1.336308512263476 0.000000000000000 16.054856199484519 Atomic positions (fractional): 1 Li 0.12265602625347 0.19965677144830 0.43031025656814 6.941 > 1 2 Li 0.62265602625347 0.19965677144830 0.43031025656814 6.941 > 1 3 Li 0.12265602625347 0.19965677144830 0.93031025656814 6.941 > 1 4 Li 0.62265602625347 0.19965677144830 0.93031025656814 6.941 > 1 5 Li 0.12734397374653 0.30034322855170 0.06968974343186 6.941 > 5 6 Li 0.62734397374653 0.30034322855170 0.06968974343186 6.941 > 5 7 Li 0.12734397374653 0.30034322855170 0.56968974343186 6.941 > 5 8 Li 0.62734397374653 0.30034322855170 0.56968974343186 6.941 > 5 9 Li 0.37265602625347 0.30034322855170 0.18031025656814 6.941 > 9 10 Li 0.87265602625347 0.30034322855170 0.18031025656814 6.941 > 9 11 Li 0.37265602625347 0.30034322855170 0.68031025656814 6.941 > 9 12 Li 0.87265602625347 0.30034322855170 0.68031025656814 6.941 > 9 13 Li 0.37734397374653 0.19965677144830 0.31968974343186 6.941 > 13 14 Li 0.87734397374653 0.19965677144830 0.31968974343186 6.941 > 13 15 Li 0.37734397374653 0.19965677144830 0.81968974343186 6.941 > 13 16 Li 0.87734397374653 0.19965677144830 0.81968974343186 6.941 > 13 17 Li 0.37265602625347 0.69965677144830 0.43031025656814 6.941 > 1 18 Li 0.87265602625347 0.69965677144830 0.43031025656814 6.941 > 1 19 Li 0.37265602625347 0.69965677144830 0.93031025656814 6.941 > 1 20 Li 0.87265602625347 0.69965677144830 0.93031025656814 6.941 > 1 21 Li 0.37734397374653 0.80034322855170 0.06968974343186 6.941 > 5 22 Li 0.87734397374653 0.80034322855170 0.06968974343186 6.941 > 5 23 Li 0.37734397374653 0.80034322855170 0.56968974343186 6.941 > 5 24 Li 0.87734397374653 0.80034322855170 0.56968974343186 6.941 > 5 25 Li 0.12265602625347 0.80034322855170 0.18031025656814 6.941 > 9 26 Li 0.62265602625347 0.80034322855170 0.18031025656814 6.941 > 9 27 Li 0.12265602625347 0.80034322855170 0.68031025656814 6.941 > 9 28 Li 0.62265602625347 0.80034322855170 0.68031025656814 6.941 > 9 29 Li 0.12734397374653 0.69965677144830 0.31968974343186 6.941 > 13 30 Li 0.62734397374653 0.69965677144830 0.31968974343186 6.941 > 13 31 Li 0.12734397374653 0.69965677144830 0.81968974343186 6.941 > 13 32 Li 0.62734397374653 0.69965677144830 0.81968974343186 6.941 > 13 33 F 0.00000000000000 0.12704474377783 0.37500000000000 18.998 > 33 34 F 0.50000000000000 0.12704474377783 0.37500000000000 18.998 > 33 35 F 0.00000000000000 0.12704474377783 0.87500000000000 18.998 > 33 36 F 0.50000000000000 0.12704474377783 0.87500000000000 18.998 > 33 37 F 0.00000000000000 0.31804498831087 0.12500000000000 18.998 > 37 38 F 0.50000000000000 0.31804498831087 0.12500000000000 18.998 > 37 39 F 0.00000000000000 0.31804498831087 0.62500000000000 18.998 > 37 40 F 0.50000000000000 0.31804498831087 0.62500000000000 18.998 > 37 41 F 0.25000000000000 0.37295525622217 0.12500000000000 18.998 > 41 42 F 0.75000000000000 0.37295525622217 0.12500000000000 18.998 > 41 43 F 0.25000000000000 0.37295525622217 0.62500000000000 18.998 > 41 44 F 0.75000000000000 0.37295525622217 0.62500000000000 18.998 > 41 45 F 0.25000000000000 0.18195501168913 0.37500000000000 18.998 > 45 46 F 0.75000000000000 0.18195501168913 0.37500000000000 18.998 > 45 47 F 0.25000000000000 0.18195501168913 0.87500000000000 18.998 > 45 48 F 0.75000000000000 0.18195501168913 0.87500000000000 18.998 > 45 49 F 0.39048393831841 0.35679669401189 0.28968486895290 18.998 > 49 50 F 0.89048393831841 0.35679669401189 0.28968486895290 18.998 > 49 51 F 0.39048393831841 0.35679669401189 0.78968486895290 18.998 > 49 52 F 0.89048393831841 0.35679669401189 0.78968486895290 18.998 > 49 53 F 0.10951606168159 0.35679669401189 0.46031513104710 18.998 > 53 54 F 0.60951606168159 0.35679669401189 0.46031513104710 18.998 > 53 55 F 0.10951606168159 0.35679669401189 0.96031513104710 18.998 > 53 56 F 0.60951606168159 0.35679669401189 0.96031513104710 18.998 > 53 57 F 0.35951606168159 0.14320330598812 0.21031513104710 18.998 > 57 58 F 0.85951606168159 0.14320330598812 0.21031513104710 18.998 > 57 59 F 0.35951606168159 0.14320330598812 0.71031513104710 18.998 > 57 60 F 0.85951606168159 0.14320330598812 0.71031513104710 18.998 > 57 61 F 0.14048393831841 0.14320330598812 0.03968486895290 18.998 > 61 62 F 0.64048393831841 0.14320330598812 0.03968486895290 18.998 > 61 63 F 0.14048393831841 0.14320330598812 0.53968486895290 18.998 > 61 64 F 0.64048393831841 0.14320330598812 0.53968486895290 18.998 > 61 65 F 0.25000000000000 0.62704474377783 0.37500000000000 18.998 > 33 66 F 0.75000000000000 0.62704474377783 0.37500000000000 18.998 > 33 67 F 0.25000000000000 0.62704474377783 0.87500000000000 18.998 > 33 68 F 0.75000000000000 0.62704474377783 0.87500000000000 18.998 > 33 69 F 0.25000000000000 0.81804498831087 0.12500000000000 18.998 > 37 70 F 0.75000000000000 0.81804498831087 0.12500000000000 18.998 > 37 71 F 0.25000000000000 0.81804498831087 0.62500000000000 18.998 > 37 72 F 0.75000000000000 0.81804498831087 0.62500000000000 18.998 > 37 73 F 0.00000000000000 0.87295525622217 0.12500000000000 18.998 > 41 74 F 0.50000000000000 0.87295525622217 0.12500000000000 18.998 > 41 75 F 0.00000000000000 0.87295525622217 0.62500000000000 18.998 > 41 76 F 0.50000000000000 0.87295525622217 0.62500000000000 18.998 > 41 77 F 0.00000000000000 0.68195501168913 0.37500000000000 18.998 > 45 78 F 0.50000000000000 0.68195501168913 0.37500000000000 18.998 > 45 79 F 0.00000000000000 0.68195501168913 0.87500000000000 18.998 > 45 80 F 0.50000000000000 0.68195501168913 0.87500000000000 18.998 > 45 81 F 0.14048393831841 0.85679669401188 0.28968486895290 18.998 > 49 82 F 0.64048393831841 0.85679669401188 0.28968486895290 18.998 > 49 83 F 0.14048393831841 0.85679669401188 0.78968486895290 18.998 > 49 84 F 0.64048393831841 0.85679669401188 0.78968486895290 18.998 > 49 85 F 0.35951606168159 0.85679669401188 0.46031513104710 18.998 > 53 86 F 0.85951606168159 0.85679669401188 0.46031513104710 18.998 > 53 87 F 0.35951606168159 0.85679669401188 0.96031513104710 18.998 > 53 88 F 0.85951606168159 0.85679669401188 0.96031513104710 18.998 > 53 89 F 0.10951606168159 0.64320330598812 0.21031513104710 18.998 > 57 90 F 0.60951606168159 0.64320330598812 0.21031513104710 18.998 > 57 91 F 0.10951606168159 0.64320330598812 0.71031513104710 18.998 > 57 92 F 0.60951606168159 0.64320330598812 0.71031513104710 18.998 > 57 93 F 0.39048393831841 0.64320330598812 0.03968486895290 18.998 > 61 94 F 0.89048393831841 0.64320330598812 0.03968486895290 18.998 > 61 95 F 0.39048393831841 0.64320330598812 0.53968486895290 18.998 > 61 96 F 0.89048393831841 0.64320330598812 0.53968486895290 18.998 > 61 97 Cs 0.11805789222956 0.09150679368444 0.21596265740866 132.905 > 97 98 Cs 0.61805789222956 0.09150679368444 0.21596265740866 132.905 > 97 99 Cs 0.11805789222956 0.09150679368444 0.71596265740866 132.905 > 97 100 Cs 0.61805789222956 0.09150679368444 0.71596265740866 132.905 > 97 101 Cs 0.38194210777044 0.09150679368444 0.03403734259134 132.905 > 101 102 Cs 0.88194210777044 0.09150679368444 0.03403734259134 132.905 > 101 103 Cs 0.38194210777044 0.09150679368444 0.53403734259134 132.905 > 101 104 Cs 0.88194210777044 0.09150679368444 0.53403734259134 132.905 > 101 105 Cs 0.13194210777044 0.40849320631556 0.28403734259134 132.905 > 105 106 Cs 0.63194210777044 0.40849320631556 0.28403734259134 132.905 > 105 107 Cs 0.13194210777044 0.40849320631556 0.78403734259134 132.905 > 105 108 Cs 0.63194210777044 0.40849320631556 0.78403734259134 132.905 > 105 109 Cs 0.36805789222956 0.40849320631556 0.46596265740866 132.905 > 109 110 Cs 0.86805789222956 0.40849320631556 0.46596265740866 132.905 > 109 111 Cs 0.36805789222956 0.40849320631556 0.96596265740866 132.905 > 109 112 Cs 0.86805789222956 0.40849320631556 0.96596265740866 132.905 > 109 113 Cs 0.36805789222956 0.59150679368444 0.21596265740866 132.905 > 97 114 Cs 0.86805789222956 0.59150679368444 0.21596265740866 132.905 > 97 115 Cs 0.36805789222956 0.59150679368444 0.71596265740866 132.905 > 97 116 Cs 0.86805789222956 0.59150679368444 0.71596265740866 132.905 > 97 117 Cs 0.13194210777044 0.59150679368444 0.03403734259134 132.905 > 101 118 Cs 0.63194210777044 0.59150679368444 0.03403734259134 132.905 > 101 119 Cs 0.13194210777044 0.59150679368444 0.53403734259134 132.905 > 101 120 Cs 0.63194210777044 0.59150679368444 0.53403734259134 132.905 > 101 121 Cs 0.38194210777044 0.90849320631556 0.28403734259134 132.905 > 105 122 Cs 0.88194210777044 0.90849320631556 0.28403734259134 132.905 > 105 123 Cs 0.38194210777044 0.90849320631556 0.78403734259134 132.905 > 105 124 Cs 0.88194210777044 0.90849320631556 0.78403734259134 132.905 > 105 125 Cs 0.11805789222956 0.90849320631556 0.46596265740866 132.905 > 109 126 Cs 0.61805789222956 0.90849320631556 0.46596265740866 132.905 > 109 127 Cs 0.11805789222956 0.90849320631556 0.96596265740866 132.905 > 109 128 Cs 0.61805789222956 0.90849320631556 0.96596265740866 132.905 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3458346 0.0000000 0.0066131 0.0000000 2.3344291 0.0000000 0.0066142 0.0000000 2.3335532 -------------------------- Born effective charges -------------------------- 1 Li 0.9581575 0.0379590 -0.0185029 0.0433887 1.0495087 -0.0206651 -0.0109458 -0.0167796 0.9997217 2 Li 0.9581575 0.0379590 -0.0185029 0.0433887 1.0495087 -0.0206651 -0.0109458 -0.0167796 0.9997217 3 Li 0.9581575 -0.0379590 -0.0185029 -0.0433887 1.0495087 0.0206651 -0.0109458 0.0167796 0.9997217 4 Li 0.9581575 -0.0379590 -0.0185029 -0.0433887 1.0495087 0.0206651 -0.0109458 0.0167796 0.9997217 5 F -1.1110776 0.0000000 0.0356079 0.0000000 -1.1191087 0.0000000 0.0286984 0.0000000 -1.2477826 6 F -1.1474451 0.0000000 -0.0720770 0.0000000 -1.1018262 0.0000000 -0.0689449 0.0000000 -1.2336069 7 F -1.1110776 0.0000000 0.0356079 0.0000000 -1.1191087 0.0000000 0.0286984 0.0000000 -1.2477826 8 F -1.1474451 0.0000000 -0.0720770 0.0000000 -1.1018262 0.0000000 -0.0689449 0.0000000 -1.2336069 9 F -1.2070465 0.0025961 0.0483205 -0.0050168 -1.1612260 0.0295467 0.0441190 0.0356008 -1.1768765 10 F -1.2070465 -0.0025961 0.0483205 0.0050168 -1.1612260 -0.0295467 0.0441190 -0.0356008 -1.1768765 11 F -1.2070465 0.0025961 0.0483205 -0.0050168 -1.1612260 0.0295467 0.0441190 0.0356008 -1.1768765 12 F -1.2070465 -0.0025961 0.0483205 0.0050168 -1.1612260 -0.0295467 0.0441190 -0.0356008 -1.1768765 13 Cs 1.3781505 0.0392125 -0.0115830 0.0368544 1.2221848 -0.0430302 -0.0130499 -0.0555546 1.4178495 14 Cs 1.3781505 -0.0392125 -0.0115830 -0.0368544 1.2221848 0.0430302 -0.0130499 0.0555546 1.4178495 15 Cs 1.3781505 0.0392125 -0.0115830 0.0368544 1.2221848 -0.0430302 -0.0130499 -0.0555546 1.4178495 16 Cs 1.3781505 -0.0392125 -0.0115830 -0.0368544 1.2221848 0.0430302 -0.0130499 0.0555546 1.4178495 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xyx) 0.00000003 (xyx) 0.00000003 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:28:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:28:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.982088715060624 -5.787364704999999 0.000000000000000 b 2.982088715060624 5.787364704999999 0.000000000000000 c -0.668154256131738 0.000000000000000 8.027428099742259 Atomic positions (fractional): 1 Li 0.04565528105865 0.44496882395525 0.86062051313628 6.941 2 Li 0.95434471894135 0.55503117604475 0.13937948686372 6.941 3 Li 0.44496882395525 0.04565528105865 0.36062051313628 6.941 4 Li 0.55503117604475 0.95434471894135 0.63937948686372 6.941 5 F 0.87295525622217 0.12704474377783 0.75000000000000 18.998 6 F 0.68195501168913 0.31804498831087 0.25000000000000 18.998 7 F 0.12704474377783 0.87295525622217 0.25000000000000 18.998 8 F 0.31804498831087 0.68195501168913 0.75000000000000 18.998 9 F 0.42417118262493 0.13776457064870 0.57936973790581 18.998 10 F 0.86223542935130 0.57582881737507 0.92063026209419 18.998 11 F 0.57582881737507 0.86223542935130 0.42063026209420 18.998 12 F 0.13776457064870 0.42417118262493 0.07936973790580 18.998 13 Cs 0.14460899077469 0.32762257814357 0.43192531481731 132.905 14 Cs 0.67237742185643 0.85539100922531 0.06807468518269 132.905 15 Cs 0.85539100922531 0.67237742185643 0.56807468518269 132.905 16 Cs 0.32762257814357 0.14460899077469 0.93192531481731 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.928354860242496 0.000000000000000 0.000000000000000 b 0.000000000000000 11.574729409999998 0.000000000000000 c -1.336308512263476 0.000000000000000 16.054856199484519 Atomic positions (fractional): 1 Li 0.12265602625347 0.19965677144830 0.43031025656814 6.941 > 1 2 Li 0.62265602625347 0.19965677144830 0.43031025656814 6.941 > 1 3 Li 0.12265602625347 0.19965677144830 0.93031025656814 6.941 > 1 4 Li 0.62265602625347 0.19965677144830 0.93031025656814 6.941 > 1 5 Li 0.12734397374653 0.30034322855170 0.06968974343186 6.941 > 5 6 Li 0.62734397374653 0.30034322855170 0.06968974343186 6.941 > 5 7 Li 0.12734397374653 0.30034322855170 0.56968974343186 6.941 > 5 8 Li 0.62734397374653 0.30034322855170 0.56968974343186 6.941 > 5 9 Li 0.37265602625347 0.30034322855170 0.18031025656814 6.941 > 9 10 Li 0.87265602625347 0.30034322855170 0.18031025656814 6.941 > 9 11 Li 0.37265602625347 0.30034322855170 0.68031025656814 6.941 > 9 12 Li 0.87265602625347 0.30034322855170 0.68031025656814 6.941 > 9 13 Li 0.37734397374653 0.19965677144830 0.31968974343186 6.941 > 13 14 Li 0.87734397374653 0.19965677144830 0.31968974343186 6.941 > 13 15 Li 0.37734397374653 0.19965677144830 0.81968974343186 6.941 > 13 16 Li 0.87734397374653 0.19965677144830 0.81968974343186 6.941 > 13 17 Li 0.37265602625347 0.69965677144830 0.43031025656814 6.941 > 1 18 Li 0.87265602625347 0.69965677144830 0.43031025656814 6.941 > 1 19 Li 0.37265602625347 0.69965677144830 0.93031025656814 6.941 > 1 20 Li 0.87265602625347 0.69965677144830 0.93031025656814 6.941 > 1 21 Li 0.37734397374653 0.80034322855170 0.06968974343186 6.941 > 5 22 Li 0.87734397374653 0.80034322855170 0.06968974343186 6.941 > 5 23 Li 0.37734397374653 0.80034322855170 0.56968974343186 6.941 > 5 24 Li 0.87734397374653 0.80034322855170 0.56968974343186 6.941 > 5 25 Li 0.12265602625347 0.80034322855170 0.18031025656814 6.941 > 9 26 Li 0.62265602625347 0.80034322855170 0.18031025656814 6.941 > 9 27 Li 0.12265602625347 0.80034322855170 0.68031025656814 6.941 > 9 28 Li 0.62265602625347 0.80034322855170 0.68031025656814 6.941 > 9 29 Li 0.12734397374653 0.69965677144830 0.31968974343186 6.941 > 13 30 Li 0.62734397374653 0.69965677144830 0.31968974343186 6.941 > 13 31 Li 0.12734397374653 0.69965677144830 0.81968974343186 6.941 > 13 32 Li 0.62734397374653 0.69965677144830 0.81968974343186 6.941 > 13 33 F 0.00000000000000 0.12704474377783 0.37500000000000 18.998 > 33 34 F 0.50000000000000 0.12704474377783 0.37500000000000 18.998 > 33 35 F 0.00000000000000 0.12704474377783 0.87500000000000 18.998 > 33 36 F 0.50000000000000 0.12704474377783 0.87500000000000 18.998 > 33 37 F 0.00000000000000 0.31804498831087 0.12500000000000 18.998 > 37 38 F 0.50000000000000 0.31804498831087 0.12500000000000 18.998 > 37 39 F 0.00000000000000 0.31804498831087 0.62500000000000 18.998 > 37 40 F 0.50000000000000 0.31804498831087 0.62500000000000 18.998 > 37 41 F 0.25000000000000 0.37295525622217 0.12500000000000 18.998 > 41 42 F 0.75000000000000 0.37295525622217 0.12500000000000 18.998 > 41 43 F 0.25000000000000 0.37295525622217 0.62500000000000 18.998 > 41 44 F 0.75000000000000 0.37295525622217 0.62500000000000 18.998 > 41 45 F 0.25000000000000 0.18195501168913 0.37500000000000 18.998 > 45 46 F 0.75000000000000 0.18195501168913 0.37500000000000 18.998 > 45 47 F 0.25000000000000 0.18195501168913 0.87500000000000 18.998 > 45 48 F 0.75000000000000 0.18195501168913 0.87500000000000 18.998 > 45 49 F 0.39048393831841 0.35679669401189 0.28968486895290 18.998 > 49 50 F 0.89048393831841 0.35679669401189 0.28968486895290 18.998 > 49 51 F 0.39048393831841 0.35679669401189 0.78968486895290 18.998 > 49 52 F 0.89048393831841 0.35679669401189 0.78968486895290 18.998 > 49 53 F 0.10951606168159 0.35679669401189 0.46031513104710 18.998 > 53 54 F 0.60951606168159 0.35679669401189 0.46031513104710 18.998 > 53 55 F 0.10951606168159 0.35679669401189 0.96031513104710 18.998 > 53 56 F 0.60951606168159 0.35679669401189 0.96031513104710 18.998 > 53 57 F 0.35951606168159 0.14320330598812 0.21031513104710 18.998 > 57 58 F 0.85951606168159 0.14320330598812 0.21031513104710 18.998 > 57 59 F 0.35951606168159 0.14320330598812 0.71031513104710 18.998 > 57 60 F 0.85951606168159 0.14320330598812 0.71031513104710 18.998 > 57 61 F 0.14048393831841 0.14320330598812 0.03968486895290 18.998 > 61 62 F 0.64048393831841 0.14320330598812 0.03968486895290 18.998 > 61 63 F 0.14048393831841 0.14320330598812 0.53968486895290 18.998 > 61 64 F 0.64048393831841 0.14320330598812 0.53968486895290 18.998 > 61 65 F 0.25000000000000 0.62704474377783 0.37500000000000 18.998 > 33 66 F 0.75000000000000 0.62704474377783 0.37500000000000 18.998 > 33 67 F 0.25000000000000 0.62704474377783 0.87500000000000 18.998 > 33 68 F 0.75000000000000 0.62704474377783 0.87500000000000 18.998 > 33 69 F 0.25000000000000 0.81804498831087 0.12500000000000 18.998 > 37 70 F 0.75000000000000 0.81804498831087 0.12500000000000 18.998 > 37 71 F 0.25000000000000 0.81804498831087 0.62500000000000 18.998 > 37 72 F 0.75000000000000 0.81804498831087 0.62500000000000 18.998 > 37 73 F 0.00000000000000 0.87295525622217 0.12500000000000 18.998 > 41 74 F 0.50000000000000 0.87295525622217 0.12500000000000 18.998 > 41 75 F 0.00000000000000 0.87295525622217 0.62500000000000 18.998 > 41 76 F 0.50000000000000 0.87295525622217 0.62500000000000 18.998 > 41 77 F 0.00000000000000 0.68195501168913 0.37500000000000 18.998 > 45 78 F 0.50000000000000 0.68195501168913 0.37500000000000 18.998 > 45 79 F 0.00000000000000 0.68195501168913 0.87500000000000 18.998 > 45 80 F 0.50000000000000 0.68195501168913 0.87500000000000 18.998 > 45 81 F 0.14048393831841 0.85679669401188 0.28968486895290 18.998 > 49 82 F 0.64048393831841 0.85679669401188 0.28968486895290 18.998 > 49 83 F 0.14048393831841 0.85679669401188 0.78968486895290 18.998 > 49 84 F 0.64048393831841 0.85679669401188 0.78968486895290 18.998 > 49 85 F 0.35951606168159 0.85679669401188 0.46031513104710 18.998 > 53 86 F 0.85951606168159 0.85679669401188 0.46031513104710 18.998 > 53 87 F 0.35951606168159 0.85679669401188 0.96031513104710 18.998 > 53 88 F 0.85951606168159 0.85679669401188 0.96031513104710 18.998 > 53 89 F 0.10951606168159 0.64320330598812 0.21031513104710 18.998 > 57 90 F 0.60951606168159 0.64320330598812 0.21031513104710 18.998 > 57 91 F 0.10951606168159 0.64320330598812 0.71031513104710 18.998 > 57 92 F 0.60951606168159 0.64320330598812 0.71031513104710 18.998 > 57 93 F 0.39048393831841 0.64320330598812 0.03968486895290 18.998 > 61 94 F 0.89048393831841 0.64320330598812 0.03968486895290 18.998 > 61 95 F 0.39048393831841 0.64320330598812 0.53968486895290 18.998 > 61 96 F 0.89048393831841 0.64320330598812 0.53968486895290 18.998 > 61 97 Cs 0.11805789222956 0.09150679368444 0.21596265740866 132.905 > 97 98 Cs 0.61805789222956 0.09150679368444 0.21596265740866 132.905 > 97 99 Cs 0.11805789222956 0.09150679368444 0.71596265740866 132.905 > 97 100 Cs 0.61805789222956 0.09150679368444 0.71596265740866 132.905 > 97 101 Cs 0.38194210777044 0.09150679368444 0.03403734259134 132.905 > 101 102 Cs 0.88194210777044 0.09150679368444 0.03403734259134 132.905 > 101 103 Cs 0.38194210777044 0.09150679368444 0.53403734259134 132.905 > 101 104 Cs 0.88194210777044 0.09150679368444 0.53403734259134 132.905 > 101 105 Cs 0.13194210777044 0.40849320631556 0.28403734259134 132.905 > 105 106 Cs 0.63194210777044 0.40849320631556 0.28403734259134 132.905 > 105 107 Cs 0.13194210777044 0.40849320631556 0.78403734259134 132.905 > 105 108 Cs 0.63194210777044 0.40849320631556 0.78403734259134 132.905 > 105 109 Cs 0.36805789222956 0.40849320631556 0.46596265740866 132.905 > 109 110 Cs 0.86805789222956 0.40849320631556 0.46596265740866 132.905 > 109 111 Cs 0.36805789222956 0.40849320631556 0.96596265740866 132.905 > 109 112 Cs 0.86805789222956 0.40849320631556 0.96596265740866 132.905 > 109 113 Cs 0.36805789222956 0.59150679368444 0.21596265740866 132.905 > 97 114 Cs 0.86805789222956 0.59150679368444 0.21596265740866 132.905 > 97 115 Cs 0.36805789222956 0.59150679368444 0.71596265740866 132.905 > 97 116 Cs 0.86805789222956 0.59150679368444 0.71596265740866 132.905 > 97 117 Cs 0.13194210777044 0.59150679368444 0.03403734259134 132.905 > 101 118 Cs 0.63194210777044 0.59150679368444 0.03403734259134 132.905 > 101 119 Cs 0.13194210777044 0.59150679368444 0.53403734259134 132.905 > 101 120 Cs 0.63194210777044 0.59150679368444 0.53403734259134 132.905 > 101 121 Cs 0.38194210777044 0.90849320631556 0.28403734259134 132.905 > 105 122 Cs 0.88194210777044 0.90849320631556 0.28403734259134 132.905 > 105 123 Cs 0.38194210777044 0.90849320631556 0.78403734259134 132.905 > 105 124 Cs 0.88194210777044 0.90849320631556 0.78403734259134 132.905 > 105 125 Cs 0.11805789222956 0.90849320631556 0.46596265740866 132.905 > 109 126 Cs 0.61805789222956 0.90849320631556 0.46596265740866 132.905 > 109 127 Cs 0.11805789222956 0.90849320631556 0.96596265740866 132.905 > 109 128 Cs 0.61805789222956 0.90849320631556 0.96596265740866 132.905 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3458346 0.0000000 0.0066131 0.0000000 2.3344291 0.0000000 0.0066142 0.0000000 2.3335532 -------------------------- Born effective charges -------------------------- 1 Li 0.9581575 0.0379590 -0.0185029 0.0433887 1.0495087 -0.0206651 -0.0109458 -0.0167796 0.9997217 2 Li 0.9581575 0.0379590 -0.0185029 0.0433887 1.0495087 -0.0206651 -0.0109458 -0.0167796 0.9997217 3 Li 0.9581575 -0.0379590 -0.0185029 -0.0433887 1.0495087 0.0206651 -0.0109458 0.0167796 0.9997217 4 Li 0.9581575 -0.0379590 -0.0185029 -0.0433887 1.0495087 0.0206651 -0.0109458 0.0167796 0.9997217 5 F -1.1110776 0.0000000 0.0356079 0.0000000 -1.1191087 0.0000000 0.0286984 0.0000000 -1.2477826 6 F -1.1474451 0.0000000 -0.0720770 0.0000000 -1.1018262 0.0000000 -0.0689449 0.0000000 -1.2336069 7 F -1.1110776 0.0000000 0.0356079 0.0000000 -1.1191087 0.0000000 0.0286984 0.0000000 -1.2477826 8 F -1.1474451 0.0000000 -0.0720770 0.0000000 -1.1018262 0.0000000 -0.0689449 0.0000000 -1.2336069 9 F -1.2070465 0.0025961 0.0483205 -0.0050168 -1.1612260 0.0295467 0.0441190 0.0356008 -1.1768765 10 F -1.2070465 -0.0025961 0.0483205 0.0050168 -1.1612260 -0.0295467 0.0441190 -0.0356008 -1.1768765 11 F -1.2070465 0.0025961 0.0483205 -0.0050168 -1.1612260 0.0295467 0.0441190 0.0356008 -1.1768765 12 F -1.2070465 -0.0025961 0.0483205 0.0050168 -1.1612260 -0.0295467 0.0441190 -0.0356008 -1.1768765 13 Cs 1.3781505 0.0392125 -0.0115830 0.0368544 1.2221848 -0.0430302 -0.0130499 -0.0555546 1.4178495 14 Cs 1.3781505 -0.0392125 -0.0115830 -0.0368544 1.2221848 0.0430302 -0.0130499 0.0555546 1.4178495 15 Cs 1.3781505 0.0392125 -0.0115830 0.0368544 1.2221848 -0.0430302 -0.0130499 -0.0555546 1.4178495 16 Cs 1.3781505 -0.0392125 -0.0115830 -0.0368544 1.2221848 0.0430302 -0.0130499 0.0555546 1.4178495 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xyx) 0.00000003 (xyx) 0.00000003 (xxy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 295, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.234 ( 0.000 0.000 0.000) 0.000 1.396 ( 0.000 0.000 0.000) 0.000 1.726 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.952 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.481 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 7.004 ( 0.000 0.000 0.000) 0.000 7.103 ( 0.000 0.000 0.000) 0.000 7.227 ( 0.000 0.000 0.000) 0.000 7.438 ( 0.000 0.000 0.000) 0.000 8.177 ( 0.000 0.000 0.000) 0.000 9.153 ( 0.000 0.000 0.000) 0.000 10.199 ( 0.000 0.000 0.000) 0.000 10.208 ( 0.000 0.000 0.000) 0.000 12.289 ( 0.000 0.000 0.000) 0.000 12.482 ( 0.000 0.000 0.000) 0.000 13.864 ( 0.000 0.000 0.000) 0.000 14.164 ( 0.000 0.000 0.000) 0.000 14.225 ( 0.000 0.000 0.000) 0.000 14.739 ( 0.000 0.000 0.000) 0.000 14.861 ( 0.000 0.000 0.000) 0.000 15.168 ( 0.000 0.000 0.000) 0.000 15.636 ( 0.000 0.000 0.000) 0.000 15.765 ( 0.000 0.000 0.000) 0.000 16.421 ( 0.000 0.000 0.000) 0.000 17.323 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 13.490 -7.828 -0.695) 15.612 0.398 ( 12.216 -16.233 3.601) 20.633 0.759 ( 35.189 -5.599 0.350) 35.633 1.245 ( -0.596 -3.332 0.955) 3.517 1.394 ( -0.913 -2.113 -0.400) 2.337 1.767 ( 3.702 0.607 2.658) 4.597 1.862 ( -1.800 2.113 0.994) 2.948 1.876 ( -1.396 -0.014 0.566) 1.507 1.959 ( 0.634 -0.058 -1.355) 1.497 2.309 ( -4.369 0.756 0.725) 4.492 2.377 ( -1.695 6.020 -1.635) 6.465 2.472 ( -1.822 -0.671 -0.955) 2.163 2.682 ( -1.662 -7.720 1.951) 8.135 2.748 ( -4.256 -3.296 3.157) 6.241 2.791 ( 13.180 -0.341 -3.999) 13.778 3.091 ( 4.843 -1.603 6.429) 8.207 3.239 ( 2.515 0.337 8.035) 8.426 3.454 ( -1.491 1.446 1.981) 2.870 3.685 ( 1.002 -1.109 -4.181) 4.440 4.059 ( 6.209 1.308 3.366) 7.183 4.532 ( 6.963 9.099 3.222) 11.902 4.696 ( 10.273 -4.324 -12.757) 16.940 4.740 ( 0.024 -1.146 -2.471) 2.724 5.146 ( 6.403 -0.324 1.748) 6.646 5.284 ( -14.672 -0.653 -0.315) 14.690 5.484 ( -3.466 0.600 7.409) 8.202 5.800 ( 9.368 0.383 -7.843) 12.224 6.242 ( -2.987 1.072 4.121) 5.201 6.953 ( -3.562 2.056 -4.087) 5.798 7.147 ( 4.925 -1.009 -6.235) 8.010 7.517 ( 9.451 5.725 9.858) 14.808 7.694 ( 9.539 12.291 -2.615) 15.776 8.123 ( -6.164 -1.632 -2.578) 6.878 9.168 ( 1.849 0.683 0.856) 2.149 10.115 ( -10.347 0.441 -5.891) 11.915 10.151 ( -5.955 -0.023 -0.369) 5.966 12.292 ( 0.309 0.091 0.981) 1.032 12.473 ( -0.618 0.330 -1.423) 1.586 13.896 ( 2.062 1.505 1.547) 2.985 14.200 ( -1.984 -4.040 -2.980) 5.399 14.528 ( -18.799 -27.214 32.527) 46.390 14.788 ( -6.817 -1.137 -2.773) 7.446 14.829 ( 7.012 -2.437 1.585) 7.590 15.221 ( 4.192 0.199 3.118) 5.228 15.704 ( 5.959 -0.924 -1.239) 6.156 16.431 ( 0.659 -0.939 -0.602) 1.296 17.228 ( 7.112 17.707 -27.667) 33.609 17.274 ( -4.513 1.302 0.809) 4.766 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 12.542 -8.727 -2.281) 15.448 0.769 ( 11.052 -14.206 2.987) 18.245 1.257 ( 1.156 -5.524 0.836) 5.706 1.355 ( 13.361 0.308 0.852) 13.392 1.460 ( 11.557 -4.991 -1.251) 12.650 1.763 ( -5.325 2.078 1.895) 6.022 1.827 ( 0.371 2.076 0.713) 2.226 1.851 ( 0.469 0.833 3.355) 3.488 1.948 ( -1.329 1.122 -0.101) 1.742 2.220 ( -3.207 2.754 1.619) 4.527 2.310 ( 0.203 3.283 -1.537) 3.631 2.433 ( -1.966 -0.195 -2.747) 3.384 2.636 ( -3.076 0.964 3.568) 4.808 2.786 ( -1.203 -7.423 -0.267) 7.524 3.061 ( 11.584 1.068 -4.653) 12.529 3.173 ( 2.280 -0.351 4.178) 4.772 3.337 ( 8.139 1.235 -2.747) 8.679 3.444 ( 3.199 0.947 2.922) 4.435 3.749 ( 6.530 -0.314 -1.856) 6.796 4.210 ( 8.089 -0.918 8.673) 11.895 4.596 ( 9.475 8.986 0.961) 13.094 4.761 ( 1.499 -0.394 -2.164) 2.662 4.959 ( 14.186 -1.769 -1.723) 14.399 5.036 ( -10.656 0.180 -5.131) 11.828 5.295 ( 7.565 -0.649 3.628) 8.415 5.447 ( -0.417 -0.475 6.265) 6.297 5.880 ( 2.063 1.704 -9.547) 9.915 6.154 ( -5.820 1.224 3.008) 6.665 6.840 ( -5.244 1.534 -6.616) 8.580 7.265 ( 7.330 2.706 -2.694) 8.265 7.657 ( 8.954 5.946 6.951) 12.800 7.799 ( 8.037 -0.641 6.135) 10.132 7.996 ( -7.482 -3.379 -9.133) 12.280 9.207 ( 2.601 0.877 2.116) 3.466 9.832 ( -18.625 -0.871 -2.092) 18.762 10.003 ( -9.259 0.345 -0.319) 9.271 12.304 ( 0.848 0.147 1.796) 1.991 12.450 ( -1.076 0.397 -2.409) 2.668 13.934 ( 2.994 1.139 2.848) 4.286 14.198 ( -1.794 -3.717 -1.555) 4.411 14.480 ( -10.032 -10.584 13.819) 20.091 14.670 ( -7.271 -4.375 -4.439) 9.577 15.012 ( 9.745 -1.447 -1.653) 9.989 15.300 ( 3.596 0.248 5.632) 6.687 15.861 ( 9.879 -0.745 -2.343) 10.180 16.461 ( 1.401 -1.408 -1.201) 2.321 17.114 ( -0.363 12.611 -10.608) 16.483 17.145 ( -7.275 2.097 0.562) 7.592 ======================= Grid point 3 (4/140) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 10.239 -9.196 -3.195) 14.129 1.077 ( 8.524 -10.051 1.769) 13.297 1.310 ( 0.741 -4.803 1.031) 4.969 1.433 ( 1.553 -0.057 -1.583) 2.219 1.625 ( -3.990 3.349 0.468) 5.230 1.757 ( 2.052 1.959 3.650) 4.623 1.781 ( -2.670 -0.947 -0.985) 2.999 1.834 ( 3.204 3.219 1.325) 4.731 1.944 ( 2.765 2.777 3.577) 5.306 2.149 ( -2.064 2.122 0.718) 3.046 2.322 ( 1.665 -3.177 -0.132) 3.589 2.413 ( 0.148 -0.606 -2.959) 3.024 2.604 ( 0.701 2.163 -0.555) 2.340 2.810 ( -2.601 -5.267 0.446) 5.891 3.085 ( -1.945 3.709 2.201) 4.731 3.205 ( -0.443 0.290 -1.316) 1.419 3.478 ( 8.219 0.128 -8.059) 11.511 3.600 ( 9.983 0.291 0.868) 10.025 3.926 ( 11.040 0.078 4.441) 11.900 4.348 ( 1.980 -3.369 10.812) 11.496 4.745 ( 8.953 1.908 -7.034) 11.544 4.795 ( 3.850 1.930 4.558) 6.270 4.848 ( -1.269 4.700 -7.805) 9.199 5.238 ( 12.248 0.545 4.207) 12.962 5.413 ( 2.773 -1.715 3.156) 4.537 5.509 ( 4.124 0.184 6.075) 7.345 5.860 ( 1.171 1.567 -12.384) 12.537 6.016 ( -7.729 1.067 2.055) 8.069 6.734 ( -3.550 -0.407 -6.912) 7.781 7.254 ( -5.953 5.276 5.611) 9.735 7.749 ( 1.894 -3.696 -1.103) 4.297 7.896 ( 1.204 1.476 1.177) 2.239 8.084 ( 17.237 -0.366 -4.041) 17.708 9.208 ( -7.719 -1.881 5.812) 9.844 9.506 ( -11.154 0.885 -3.614) 11.758 9.815 ( -10.033 0.403 -0.104) 10.041 12.326 ( 1.338 0.159 2.383) 2.738 12.421 ( -1.319 0.231 -2.860) 3.158 13.992 ( 4.268 2.126 3.580) 5.963 14.195 ( -2.911 -4.993 -2.696) 6.378 14.406 ( -4.987 -1.110 7.872) 9.384 14.593 ( -6.524 -7.182 -4.340) 10.629 15.185 ( 8.025 0.205 -3.997) 8.968 15.367 ( 2.347 -0.653 6.813) 7.235 16.059 ( 9.813 -1.862 -1.983) 10.183 16.507 ( 2.328 -1.436 -1.760) 3.253 16.951 ( -4.069 9.797 -2.446) 10.886 16.984 ( -6.994 2.556 -0.973) 7.510 ======================= Grid point 4 (5/140) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 5.325 -6.532 -1.973) 8.656 1.241 ( 1.654 -2.087 0.484) 2.706 1.402 ( 5.161 -1.596 -1.098) 5.512 1.440 ( -1.037 -1.701 0.745) 2.127 1.543 ( -1.690 1.145 0.129) 2.045 1.637 ( -5.501 4.062 2.491) 7.278 1.758 ( -0.858 -0.677 -1.130) 1.572 1.870 ( 0.906 1.858 0.301) 2.089 1.970 ( 1.887 3.223 3.269) 4.964 2.101 ( -1.551 0.122 -0.820) 1.759 2.410 ( 0.421 -4.233 -0.211) 4.259 2.450 ( 4.290 -1.398 -0.448) 4.534 2.585 ( -0.733 2.977 -1.580) 3.449 2.801 ( -1.806 -2.126 0.737) 2.886 3.018 ( -1.293 2.213 1.310) 2.879 3.179 ( -0.897 0.357 -0.748) 1.221 3.612 ( 6.788 -0.116 -6.710) 9.546 3.691 ( -0.583 0.101 2.891) 2.951 4.126 ( 8.170 0.272 4.526) 9.344 4.370 ( -3.379 -1.964 3.227) 5.068 4.728 ( -1.188 0.039 -3.595) 3.786 4.789 ( 0.603 0.270 -1.247) 1.411 5.090 ( 19.418 4.852 -4.145) 20.440 5.331 ( -8.336 -3.496 10.626) 13.951 5.447 ( 1.572 -0.056 -2.395) 2.866 5.559 ( 2.486 2.510 2.673) 4.430 5.843 ( -2.343 1.323 -3.592) 4.488 5.939 ( 1.538 -0.698 -2.077) 2.677 6.728 ( 2.620 -1.994 -4.770) 5.796 7.033 ( -10.432 3.055 5.043) 11.983 7.803 ( -0.406 -4.683 -2.668) 5.405 7.916 ( 2.515 3.551 1.273) 4.534 8.455 ( 22.360 2.268 -3.305) 22.717 8.904 ( -23.333 -3.970 4.878) 24.165 9.485 ( 6.110 1.945 -1.937) 6.698 9.636 ( -8.755 -0.387 0.490) 8.778 12.356 ( 1.477 0.115 2.670) 3.054 12.389 ( -1.418 0.020 -2.843) 3.177 14.055 ( 3.812 2.482 2.793) 5.338 14.170 ( -3.750 -4.169 -2.887) 6.307 14.362 ( -0.526 1.313 3.468) 3.746 14.548 ( -3.129 -3.598 -2.202) 5.253 15.278 ( 2.911 0.685 -2.218) 3.723 15.416 ( 0.985 -0.775 3.249) 3.482 16.225 ( 4.997 -1.784 -0.612) 5.341 16.564 ( 2.203 -1.043 -1.651) 2.944 16.795 ( -3.569 4.801 0.673) 6.020 16.857 ( -3.489 1.402 -0.684) 3.822 ======================= Grid point 10 (6/140) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 12.703 -0.000 -0.325) 12.707 0.638 ( 15.933 -0.000 3.513) 16.316 1.200 ( 2.411 -0.000 -0.334) 2.434 1.379 ( 26.104 -0.000 1.274) 26.135 1.391 ( 1.675 -0.000 -1.384) 2.172 1.764 ( -6.609 0.000 3.506) 7.481 1.848 ( -2.032 0.000 -0.008) 2.032 1.862 ( 3.894 -0.000 4.405) 5.879 1.981 ( 0.738 -0.000 -1.711) 1.863 2.244 ( -3.309 0.000 2.062) 3.899 2.379 ( -4.125 0.000 0.323) 4.138 2.415 ( -1.260 0.000 -3.912) 4.110 2.664 ( 0.997 -0.000 0.154) 1.009 2.670 ( -1.873 0.000 3.664) 4.115 3.073 ( 13.432 -0.000 -4.901) 14.299 3.168 ( 1.969 -0.000 3.391) 3.921 3.349 ( 7.306 -0.000 -2.770) 7.814 3.455 ( 2.882 -0.000 3.462) 4.505 3.744 ( 6.838 -0.000 -1.028) 6.915 4.198 ( 6.169 -0.000 9.582) 11.396 4.714 ( 2.148 -0.000 -4.104) 4.632 4.758 ( 6.687 -0.000 -3.367) 7.487 4.917 ( 17.506 -0.000 1.087) 17.539 5.039 ( -10.040 0.000 -5.715) 11.552 5.291 ( 8.343 -0.000 3.406) 9.011 5.437 ( -2.433 0.000 6.816) 7.238 5.897 ( 2.215 -0.000 -8.638) 8.917 6.166 ( -6.151 0.000 3.335) 6.997 6.858 ( -6.474 0.000 -5.298) 8.365 7.286 ( 8.928 -0.000 -1.292) 9.021 7.743 ( -2.089 0.000 -2.557) 3.302 7.780 ( 13.055 -0.000 12.863) 18.327 7.965 ( -6.894 0.000 -9.843) 12.017 9.221 ( 1.917 -0.000 3.346) 3.857 9.828 ( -18.152 0.000 -4.176) 18.626 10.006 ( -9.205 0.000 -0.424) 9.214 12.305 ( 0.798 -0.000 1.923) 2.081 12.458 ( -1.104 0.000 -2.244) 2.501 13.955 ( 3.287 -0.000 1.673) 3.689 14.108 ( -2.858 0.000 -2.264) 3.646 14.356 ( -1.840 0.000 20.379) 20.462 14.648 ( -7.011 0.000 -5.085) 8.661 14.999 ( 10.698 -0.000 -1.821) 10.852 15.303 ( 3.400 -0.000 5.345) 6.334 15.854 ( 9.733 -0.000 -2.890) 10.153 16.446 ( 1.574 -0.000 -1.288) 2.034 17.163 ( -7.984 0.000 2.642) 8.410 17.255 ( -3.997 0.000 -14.664) 15.199 ======================= Grid point 11 (7/140) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 10.334 -6.939 -0.513) 12.458 0.940 ( 13.645 -3.511 1.105) 14.133 1.233 ( 1.282 -2.303 -0.006) 2.636 1.432 ( 2.371 -0.200 -2.063) 3.149 1.643 ( -6.604 -0.426 3.419) 7.449 1.741 ( 5.477 -0.515 0.858) 5.567 1.829 ( 2.918 2.171 -0.628) 3.691 1.919 ( 2.589 3.387 3.146) 5.298 1.991 ( 4.755 1.586 1.335) 5.187 2.186 ( -2.518 1.325 1.300) 3.128 2.284 ( -5.227 -1.097 0.841) 5.407 2.408 ( 1.029 0.047 -3.446) 3.596 2.638 ( -0.194 1.747 -0.738) 1.906 2.711 ( 0.415 -4.326 -0.039) 4.346 3.152 ( -0.836 2.990 1.066) 3.283 3.196 ( -0.454 -1.322 0.561) 1.506 3.480 ( 7.913 0.085 -9.234) 12.161 3.605 ( 9.408 0.144 0.621) 9.429 3.926 ( 11.254 -0.035 5.847) 12.682 4.297 ( 1.609 -1.596 10.752) 10.988 4.755 ( 3.418 -0.029 -6.684) 7.507 4.793 ( -4.479 -0.338 1.439) 4.716 4.971 ( 9.182 4.573 -8.048) 13.038 5.247 ( 13.523 0.153 1.726) 13.633 5.404 ( -0.369 0.844 5.232) 5.312 5.487 ( 9.547 -2.052 6.047) 11.486 5.881 ( -0.783 0.605 -10.918) 10.962 6.028 ( -8.813 0.249 2.345) 9.123 6.727 ( -5.608 -0.230 -6.722) 8.757 7.313 ( -8.742 1.269 9.604) 13.049 7.699 ( -2.330 -1.290 -1.112) 2.886 7.910 ( 6.818 0.069 -11.471) 13.344 8.103 ( 18.797 1.368 3.653) 19.197 9.174 ( -12.631 -1.185 7.794) 14.890 9.532 ( -7.282 1.207 -5.379) 9.133 9.821 ( -10.316 0.132 -0.232) 10.319 12.328 ( 1.278 0.024 2.600) 2.898 12.427 ( -1.479 0.309 -2.702) 3.096 14.025 ( 3.750 1.402 2.310) 4.622 14.078 ( -2.316 -5.281 -2.779) 6.402 14.383 ( 0.949 -0.748 13.419) 13.474 14.522 ( -5.706 -1.163 -6.414) 8.663 15.189 ( 9.495 0.130 -3.505) 10.122 15.358 ( 1.312 -0.267 6.922) 7.051 16.032 ( 9.006 -0.801 -3.153) 9.575 16.485 ( 2.416 -0.674 -2.099) 3.270 17.001 ( -9.139 0.665 3.414) 9.778 17.113 ( -6.310 4.579 -7.710) 10.965 ======================= Grid point 12 (8/140) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 7.281 -8.669 -0.760) 11.347 1.176 ( 6.276 -3.310 -0.470) 7.111 1.317 ( 5.478 -3.956 0.358) 6.766 1.453 ( -0.078 0.549 -0.767) 0.947 1.552 ( -3.515 -0.174 2.154) 4.126 1.712 ( -4.108 1.218 -0.431) 4.306 1.784 ( -1.038 5.327 -0.233) 5.432 1.943 ( 1.903 3.407 0.587) 3.946 2.068 ( 0.398 5.838 2.342) 6.303 2.127 ( -0.482 2.290 0.191) 2.348 2.289 ( 2.902 -6.681 0.146) 7.285 2.442 ( 2.431 -0.622 -1.120) 2.748 2.607 ( -2.550 -0.392 -1.363) 2.918 2.765 ( 2.569 -1.225 -1.859) 3.399 3.081 ( -2.720 3.658 2.115) 5.025 3.179 ( -1.582 -0.490 0.784) 1.832 3.610 ( 6.904 -0.073 -7.941) 10.523 3.691 ( -0.676 -0.018 2.255) 2.354 4.138 ( 9.279 0.942 6.234) 11.219 4.315 ( -3.100 -3.170 4.738) 6.489 4.722 ( -1.520 -0.463 -2.791) 3.212 4.799 ( 1.887 0.417 -6.214) 6.508 5.166 ( 11.263 2.315 2.900) 11.859 5.302 ( -5.624 1.032 3.385) 6.645 5.414 ( 1.104 -2.383 -0.089) 2.628 5.654 ( 4.753 5.712 0.880) 7.483 5.848 ( -5.726 -0.439 -3.442) 6.695 5.906 ( 0.797 -2.633 -2.437) 3.675 6.685 ( 2.137 -2.114 -5.703) 6.446 7.071 ( -13.698 1.013 7.589) 15.692 7.693 ( -0.930 -4.511 -0.124) 4.608 8.029 ( 7.411 5.436 -5.440) 10.680 8.497 ( 23.461 2.206 -1.203) 23.595 8.823 ( -23.698 -4.032 6.258) 24.840 9.525 ( 4.964 1.973 -2.373) 5.845 9.629 ( -9.751 -0.296 0.255) 9.759 12.358 ( 1.463 0.089 2.962) 3.305 12.391 ( -1.637 0.152 -2.723) 3.180 14.024 ( -3.684 -4.284 -3.146) 6.467 14.147 ( 5.661 1.132 3.124) 6.564 14.391 ( -2.102 1.537 -1.554) 3.032 14.501 ( 3.827 -1.468 4.305) 5.945 15.304 ( 3.087 1.854 -1.258) 3.815 15.392 ( 1.086 -1.753 3.761) 4.290 16.182 ( 5.475 -2.236 -2.226) 6.319 16.535 ( 1.873 -1.415 -3.008) 3.816 16.836 ( -8.136 0.633 3.875) 9.034 16.938 ( -5.563 4.660 -3.795) 8.189 ======================= Grid point 13 (9/140) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 2.262 -5.739 -0.521) 6.191 1.245 ( 0.196 -1.220 0.570) 1.360 1.382 ( -3.944 -0.220 2.773) 4.826 1.491 ( 3.655 -0.322 -1.026) 3.810 1.526 ( 0.426 -0.345 0.344) 0.648 1.621 ( -0.136 2.201 -2.632) 3.434 1.748 ( 0.200 1.398 0.425) 1.475 1.932 ( 0.767 3.190 -1.603) 3.652 1.971 ( -2.258 4.761 -1.474) 5.472 2.119 ( 0.755 1.778 0.924) 2.142 2.405 ( 2.099 -2.294 1.279) 3.362 2.491 ( 0.725 -2.734 0.767) 2.931 2.543 ( -2.895 2.232 -0.829) 3.748 2.825 ( 4.149 0.278 -3.521) 5.448 3.014 ( -1.473 1.582 1.151) 2.449 3.169 ( 0.067 -0.598 1.766) 1.866 3.614 ( -6.848 0.063 5.491) 8.778 3.687 ( 0.657 -0.248 -3.735) 3.800 4.126 ( -8.696 0.239 -3.009) 9.205 4.378 ( 5.559 -1.058 0.225) 5.664 4.719 ( -0.021 -0.593 1.672) 1.774 4.798 ( 0.305 1.053 -2.961) 3.157 5.005 ( -20.873 -3.704 5.020) 21.786 5.397 ( 1.410 -2.703 2.190) 3.754 5.413 ( 2.437 3.780 -7.603) 8.834 5.590 ( -2.991 3.827 -7.707) 9.110 5.798 ( 0.063 -2.791 5.503) 6.170 5.930 ( -2.001 -1.691 1.764) 3.158 6.753 ( -0.538 0.563 1.969) 2.118 6.958 ( 3.289 -4.311 -0.453) 5.441 7.758 ( 3.439 -4.315 0.565) 5.547 8.016 ( -1.532 8.910 -1.855) 9.229 8.404 ( -20.362 -3.217 4.130) 21.024 8.968 ( 24.593 2.632 -3.692) 25.008 9.456 ( -7.337 -1.006 1.530) 7.562 9.644 ( 7.669 0.488 -0.786) 7.724 12.354 ( -1.666 -0.064 -2.542) 3.040 12.390 ( 1.446 0.130 3.137) 3.456 13.987 ( -3.721 -3.727 -3.932) 6.573 14.241 ( 4.935 2.681 3.644) 6.695 14.342 ( -0.677 -0.787 -5.403) 5.502 14.635 ( 10.279 4.933 6.336) 13.043 15.278 ( -3.809 0.572 4.195) 5.695 15.422 ( 0.132 -0.160 -3.559) 3.565 16.236 ( -2.435 -0.736 -0.765) 2.656 16.549 ( -1.891 -2.606 -2.249) 3.927 16.718 ( -4.683 -1.898 3.461) 6.125 16.863 ( 1.907 1.213 -1.497) 2.711 ======================= Grid point 14 (10/140) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -9.664 5.593 1.547) 11.272 1.232 ( -3.261 3.693 0.888) 5.006 1.346 ( -0.345 -1.272 1.206) 1.786 1.470 ( -0.571 3.416 -1.199) 3.665 1.557 ( 1.914 -2.026 0.493) 2.831 1.674 ( -1.178 -4.868 -3.908) 6.353 1.759 ( 1.885 -1.336 -0.015) 2.311 1.904 ( 0.822 6.168 -1.076) 6.315 1.936 ( 2.928 3.261 -3.143) 5.393 2.117 ( -0.368 -0.959 0.008) 1.028 2.397 ( -3.774 3.540 1.751) 5.463 2.428 ( -2.437 1.420 1.872) 3.385 2.556 ( 1.614 -2.365 -0.752) 2.961 2.894 ( 4.078 3.036 -1.841) 5.407 3.021 ( 2.055 -2.681 -1.637) 3.754 3.191 ( 0.286 -0.941 2.684) 2.858 3.474 ( -8.703 -0.297 6.277) 10.734 3.595 ( -10.364 -0.238 -1.178) 10.433 3.918 ( -12.093 -0.800 -2.183) 12.315 4.410 ( -1.616 2.693 -10.293) 10.761 4.635 ( -20.545 -7.038 -0.837) 21.733 4.747 ( -0.388 -1.566 6.332) 6.535 4.845 ( 7.378 1.233 -0.120) 7.481 5.225 ( -13.755 -1.068 -0.732) 13.816 5.455 ( -2.284 1.951 -6.045) 6.750 5.496 ( -2.743 -0.057 -7.669) 8.145 5.821 ( -2.725 -2.350 14.724) 15.158 5.986 ( 6.761 -2.014 -1.558) 7.224 6.741 ( 1.226 0.365 5.956) 6.091 7.109 ( 1.955 -9.285 -1.382) 9.588 7.799 ( -13.453 0.302 -7.578) 15.443 7.899 ( 8.653 2.957 2.918) 9.599 8.124 ( -10.853 3.303 4.515) 12.210 9.237 ( 1.677 1.061 -3.170) 3.740 9.509 ( 17.521 1.122 1.193) 17.598 9.806 ( 9.431 -0.596 -0.037) 9.450 12.322 ( -1.488 -0.265 -2.214) 2.680 12.421 ( 1.439 0.211 3.100) 3.425 13.948 ( -2.777 -2.265 -3.974) 5.351 14.253 ( -0.195 1.597 -2.306) 2.812 14.411 ( 6.482 -0.496 -0.015) 6.501 14.780 ( 11.745 10.654 4.926) 16.605 15.182 ( -6.742 -0.177 4.813) 8.286 15.382 ( -2.812 0.919 -6.708) 7.331 16.097 ( -10.124 1.922 0.423) 10.314 16.527 ( -1.736 -0.037 0.395) 1.780 16.733 ( -1.450 -10.771 4.378) 11.717 16.952 ( 6.526 -1.392 -1.672) 6.879 ======================= Grid point 15 (11/140) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -12.320 8.346 0.857) 14.906 1.039 ( -9.516 10.587 1.320) 14.296 1.353 ( 0.999 2.464 -0.629) 2.732 1.404 ( -3.864 5.729 -2.753) 7.439 1.556 ( -9.382 3.921 0.973) 10.214 1.654 ( 2.432 -6.876 -0.525) 7.313 1.803 ( -0.536 -0.764 -1.690) 1.931 1.860 ( 0.954 3.722 -0.881) 3.942 1.966 ( 2.723 1.686 -1.659) 3.607 2.145 ( 1.059 -3.333 -1.112) 3.670 2.294 ( -1.867 0.565 3.038) 3.611 2.426 ( 0.779 -0.648 2.221) 2.441 2.616 ( 3.768 -1.072 -3.405) 5.190 2.906 ( 1.690 4.682 1.340) 5.155 3.041 ( -8.326 -0.785 3.507) 9.069 3.175 ( -0.702 -0.199 -5.170) 5.221 3.305 ( -10.571 -1.872 2.172) 10.953 3.428 ( -3.456 -0.627 -1.680) 3.894 3.740 ( -7.065 -1.805 4.502) 8.570 4.210 ( -14.134 -1.387 -5.980) 15.410 4.455 ( -5.800 -4.426 -10.465) 12.758 4.762 ( -0.158 -0.471 2.491) 2.540 4.957 ( -14.394 -1.672 3.944) 15.018 5.037 ( 11.145 0.281 3.782) 11.773 5.320 ( -7.624 1.851 -3.528) 8.602 5.441 ( -1.760 -1.107 -8.009) 8.275 5.837 ( -1.761 -2.584 12.088) 12.486 6.123 ( 5.414 -1.796 -2.122) 6.086 6.808 ( 3.479 -1.873 7.803) 8.747 7.168 ( -4.025 -7.379 4.193) 9.393 7.538 ( -14.513 -5.945 -10.141) 18.676 7.847 ( -10.105 4.809 -4.199) 11.953 8.087 ( 9.246 5.657 6.362) 12.569 9.205 ( -1.429 0.657 -0.711) 1.726 9.865 ( 19.024 2.269 0.094) 19.159 9.994 ( 9.791 -0.514 0.034) 9.805 12.299 ( -0.974 -0.358 -1.647) 1.947 12.449 ( 1.408 0.280 2.661) 3.023 13.915 ( -1.888 -0.945 -3.432) 4.029 14.232 ( -0.110 0.806 -3.191) 3.293 14.555 ( 8.181 -0.487 0.609) 8.218 14.864 ( 6.731 10.208 3.087) 12.611 15.066 ( -2.440 4.767 0.967) 5.442 15.298 ( -4.095 0.161 -6.731) 7.880 15.884 ( -9.851 1.685 0.980) 10.042 16.494 ( -0.884 1.790 0.819) 2.158 16.837 ( -2.844 -14.722 8.414) 17.194 17.097 ( 6.625 -2.807 -1.694) 7.392 ======================= Grid point 16 (12/140) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -10.776 10.164 -0.645) 14.827 0.688 ( -18.219 10.164 2.232) 20.982 1.041 ( -14.168 22.155 -2.644) 26.431 1.346 ( 1.609 5.857 -1.299) 6.212 1.448 ( 0.214 3.238 1.426) 3.544 1.755 ( -3.395 -0.065 -2.480) 4.205 1.769 ( 2.038 -6.639 -0.492) 6.962 1.851 ( -1.509 -2.105 0.408) 2.622 1.981 ( 0.593 2.004 0.769) 2.227 2.213 ( 1.433 -7.362 -1.517) 7.653 2.338 ( 3.872 -0.409 3.632) 5.325 2.463 ( 1.898 -1.287 1.212) 2.594 2.706 ( 5.135 -0.850 -5.440) 7.528 2.780 ( -14.164 -0.187 2.978) 14.475 2.872 ( -1.951 3.826 4.338) 6.104 3.130 ( -1.981 1.374 -1.335) 2.756 3.234 ( 1.726 0.352 -9.231) 9.398 3.427 ( 0.715 -0.995 -1.575) 1.995 3.707 ( 0.216 0.678 4.278) 4.337 4.019 ( -6.518 -3.084 1.053) 7.287 4.388 ( -4.622 -5.947 -16.539) 18.173 4.686 ( -12.805 -2.460 12.522) 18.078 4.788 ( -0.674 2.088 5.241) 5.682 5.157 ( -6.803 0.808 -1.972) 7.129 5.287 ( 14.067 -0.470 0.061) 14.075 5.456 ( 2.623 -2.173 -8.978) 9.603 5.784 ( -8.360 -1.193 9.456) 12.678 6.210 ( 2.347 -1.987 -2.292) 3.835 6.913 ( 4.078 -2.055 8.585) 9.724 7.153 ( -1.588 -0.817 6.490) 6.731 7.358 ( -10.669 -8.905 -11.381) 17.963 7.573 ( -16.466 -0.544 -2.662) 16.689 8.191 ( 6.157 5.421 2.087) 8.465 9.184 ( 0.583 2.100 -0.145) 2.184 10.119 ( 8.315 -0.095 0.849) 8.359 10.166 ( 8.881 2.035 0.226) 9.114 12.288 ( -0.394 -0.361 -0.894) 1.041 12.474 ( 1.172 0.391 1.699) 2.101 13.885 ( -1.304 -0.118 -2.211) 2.569 14.225 ( 0.296 0.368 -2.179) 2.230 14.710 ( 6.138 -1.266 0.688) 6.305 14.825 ( -3.267 1.129 2.804) 4.451 15.087 ( 15.992 14.098 -9.043) 23.157 15.215 ( -3.933 -0.384 -3.690) 5.407 15.736 ( -2.929 2.282 -0.469) 3.743 16.463 ( -0.400 2.214 0.564) 2.320 16.888 ( -10.199 -14.496 13.801) 22.464 17.229 ( 4.169 -3.230 -1.041) 5.376 ======================= Grid point 17 (13/140) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.259 ( 0.000 13.318 0.000) 13.318 0.264 ( 0.000 13.533 0.000) 13.533 0.627 ( 0.000 31.784 0.000) 31.784 1.301 ( 0.000 6.012 0.000) 6.012 1.436 ( 0.000 2.288 0.000) 2.288 1.715 ( -0.000 -0.754 -0.000) 0.754 1.845 ( -0.000 -2.981 -0.000) 2.981 1.851 ( -0.000 -4.374 -0.000) 4.374 1.967 ( 0.000 1.652 0.000) 1.652 2.302 ( -0.000 -5.985 -0.000) 5.985 2.399 ( -0.000 -3.112 -0.000) 3.112 2.504 ( 0.000 0.323 0.000) 0.323 2.640 ( -0.000 -0.485 -0.000) 0.485 2.793 ( 0.000 1.157 0.000) 1.157 2.795 ( -0.000 -1.514 -0.000) 1.514 3.135 ( -0.000 -0.486 -0.000) 0.486 3.285 ( 0.000 0.611 0.000) 0.611 3.419 ( 0.000 0.341 0.000) 0.341 3.691 ( 0.000 1.422 0.000) 1.422 4.014 ( 0.000 0.785 0.000) 0.785 4.386 ( -0.000 -8.798 -0.000) 8.798 4.556 ( -0.000 -1.682 -0.000) 1.682 4.772 ( 0.000 2.867 0.000) 2.867 5.081 ( 0.000 0.252 0.000) 0.252 5.479 ( -0.000 -2.961 -0.000) 2.961 5.566 ( -0.000 -1.081 -0.000) 1.081 5.609 ( 0.000 0.558 0.000) 0.558 6.244 ( -0.000 -1.609 -0.000) 1.609 6.997 ( -0.000 -0.808 -0.000) 0.808 7.168 ( 0.000 6.427 0.000) 6.427 7.209 ( -0.000 -2.336 -0.000) 2.336 7.376 ( -0.000 -6.053 -0.000) 6.053 8.208 ( 0.000 3.509 0.000) 3.509 9.174 ( 0.000 2.108 0.000) 2.108 10.195 ( -0.000 -0.588 -0.000) 0.588 10.233 ( 0.000 2.616 0.000) 2.616 12.287 ( -0.000 -0.275 -0.000) 0.275 12.485 ( 0.000 0.337 0.000) 0.337 13.867 ( 0.000 0.282 0.000) 0.282 14.226 ( 0.000 0.047 0.000) 0.047 14.738 ( -0.000 -0.178 -0.000) 0.178 14.839 ( -0.000 -1.321 -0.000) 1.321 15.167 ( -0.000 -0.075 -0.000) 0.075 15.285 ( -0.000 -0.404 -0.000) 0.404 15.766 ( 0.000 0.090 0.000) 0.090 16.440 ( 0.000 1.846 0.000) 1.846 16.765 ( -0.000 -2.629 -0.000) 2.629 17.297 ( -0.000 -2.595 -0.000) 2.595 ======================= Grid point 20 (14/140) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 8.438 -0.000 0.547) 8.455 1.142 ( 7.597 -0.000 -1.145) 7.683 1.278 ( 6.028 -0.000 -0.072) 6.028 1.456 ( -0.384 0.000 -0.501) 0.631 1.549 ( -2.996 0.000 2.384) 3.829 1.719 ( -2.947 0.000 -0.385) 2.972 1.852 ( -1.813 0.000 -1.697) 2.483 1.981 ( 1.664 -0.000 2.229) 2.782 2.146 ( -7.125 0.000 -0.391) 7.135 2.174 ( 0.099 -0.000 0.222) 0.243 2.182 ( 10.623 -0.000 2.706) 10.963 2.430 ( 0.715 -0.000 -1.976) 2.101 2.600 ( -2.101 0.000 -0.448) 2.148 2.753 ( 4.181 -0.000 -2.941) 5.111 3.130 ( -3.479 0.000 0.351) 3.497 3.164 ( -1.283 0.000 3.182) 3.431 3.609 ( 6.951 -0.000 -8.497) 10.978 3.691 ( -0.744 0.000 2.050) 2.181 4.152 ( 11.183 -0.000 7.456) 13.441 4.277 ( -4.594 0.000 4.368) 6.339 4.717 ( -1.442 0.000 -2.532) 2.914 4.802 ( 2.593 -0.000 -7.554) 7.987 5.183 ( 2.903 -0.000 8.433) 8.919 5.340 ( 0.039 -0.000 -3.840) 3.840 5.372 ( 1.197 -0.000 1.436) 1.869 5.726 ( 7.247 -0.000 1.936) 7.501 5.849 ( -0.674 0.000 -11.743) 11.762 5.858 ( -7.429 0.000 4.750) 8.818 6.662 ( 1.553 -0.000 -5.691) 5.899 7.079 ( -14.470 0.000 8.372) 16.717 7.649 ( -1.083 0.000 -0.057) 1.085 8.085 ( 10.096 -0.000 -8.159) 12.981 8.525 ( 24.832 -0.000 0.184) 24.833 8.776 ( -25.885 0.000 7.141) 26.852 9.547 ( 4.761 -0.000 -2.663) 5.455 9.626 ( -10.520 0.000 0.271) 10.523 12.359 ( 1.512 -0.000 3.164) 3.507 12.393 ( -1.832 0.000 -2.729) 3.287 13.975 ( -2.953 0.000 -3.890) 4.884 14.161 ( 6.228 -0.000 4.085) 7.448 14.409 ( -4.444 0.000 -7.316) 8.560 14.487 ( 8.187 -0.000 10.449) 13.275 15.337 ( 6.467 -0.000 -4.631) 7.954 15.360 ( -2.144 0.000 7.831) 8.119 16.158 ( 5.223 -0.000 -3.150) 6.099 16.520 ( 1.600 -0.000 -3.184) 3.564 16.842 ( -8.485 0.000 3.789) 9.292 16.986 ( -7.423 0.000 -3.864) 8.368 ======================= Grid point 21 (15/140) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 5.161 -4.085 0.346) 6.591 1.208 ( 0.766 -1.432 -0.185) 1.634 1.398 ( -2.272 1.307 1.850) 3.208 1.443 ( 5.079 -2.582 0.048) 5.698 1.537 ( 0.769 0.450 0.502) 1.022 1.657 ( -2.644 1.029 -2.508) 3.786 1.807 ( -0.780 2.615 -0.945) 2.888 1.990 ( 0.114 3.470 -1.124) 3.649 2.039 ( -1.993 0.166 -1.101) 2.283 2.161 ( -1.066 1.944 0.710) 2.328 2.360 ( 6.512 -1.567 2.247) 7.064 2.431 ( -0.234 -2.095 -0.824) 2.263 2.591 ( 0.715 1.657 -0.422) 1.854 2.821 ( 3.647 -0.404 -4.270) 5.630 3.051 ( -3.644 1.483 1.342) 4.157 3.158 ( -0.025 -0.430 2.834) 2.866 3.614 ( -7.111 -0.005 4.735) 8.543 3.683 ( 0.809 -0.147 -4.324) 4.402 4.131 ( -10.310 0.186 -2.042) 10.512 4.350 ( 7.621 -1.177 2.099) 7.992 4.712 ( -0.219 -0.193 0.269) 0.397 4.818 ( 0.991 0.745 -5.702) 5.835 4.955 ( -20.837 -1.415 5.315) 21.551 5.351 ( -4.377 -1.293 5.104) 6.847 5.496 ( 7.854 3.815 -6.510) 10.892 5.622 ( -6.498 -1.457 -13.710) 15.242 5.791 ( -0.644 3.134 5.293) 6.185 5.873 ( -2.407 -4.033 4.118) 6.246 6.751 ( 4.242 -0.470 -1.724) 4.603 6.895 ( -5.119 -1.745 4.623) 7.115 7.703 ( 7.027 -1.410 -1.533) 7.329 8.176 ( -0.594 6.884 -2.049) 7.207 8.328 ( -20.623 -4.433 5.235) 21.734 9.002 ( 25.712 0.914 -2.961) 25.898 9.444 ( -8.090 -0.258 1.259) 8.191 9.652 ( 6.782 0.251 -0.928) 6.850 12.353 ( -1.888 -0.005 -2.526) 3.154 12.393 ( 1.570 0.073 3.422) 3.765 13.933 ( -1.974 -1.579 -4.412) 5.085 14.273 ( 5.323 0.763 4.699) 7.141 14.331 ( -2.410 -0.310 -7.169) 7.569 14.710 ( 14.382 2.304 8.685) 16.958 15.294 ( -5.407 0.760 7.250) 9.076 15.414 ( 1.920 -0.456 -5.054) 5.425 16.211 ( -0.042 -1.172 -2.480) 2.744 16.501 ( -4.244 -1.545 -3.808) 5.907 16.706 ( -6.546 -0.045 4.185) 7.770 16.887 ( -0.806 0.823 -1.620) 1.988 ======================= Grid point 22 (16/140) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -4.624 -1.925 0.264) 5.016 1.225 ( -1.215 -2.263 0.914) 2.726 1.337 ( -0.071 1.100 2.700) 2.917 1.503 ( -0.981 -0.451 0.751) 1.315 1.552 ( 1.371 0.794 -0.024) 1.584 1.607 ( -3.007 -1.462 -5.653) 6.568 1.784 ( 1.903 2.782 -0.132) 3.373 1.983 ( 4.317 3.799 -1.307) 5.897 2.020 ( -1.027 1.536 -4.188) 4.578 2.126 ( 0.346 1.503 3.504) 3.828 2.426 ( 1.118 1.165 2.139) 2.680 2.470 ( -1.536 0.640 0.135) 1.670 2.551 ( -0.003 2.785 -1.005) 2.961 2.912 ( 6.365 -1.058 -4.694) 7.980 2.994 ( -1.230 -0.184 1.220) 1.742 3.176 ( 0.195 -0.529 2.997) 3.050 3.466 ( -9.458 -0.535 4.794) 10.617 3.591 ( -10.330 -0.158 -1.423) 10.429 3.896 ( -14.738 -1.343 -0.004) 14.799 4.440 ( 1.327 0.305 -8.716) 8.822 4.542 ( -20.943 -2.313 -4.197) 21.484 4.721 ( -1.118 -1.046 5.611) 5.816 4.868 ( 6.463 0.952 -1.594) 6.724 5.194 ( -14.512 -1.817 4.533) 15.312 5.470 ( -1.324 0.511 -15.175) 15.241 5.530 ( -5.379 2.200 -6.140) 8.454 5.778 ( -3.463 -1.763 18.137) 18.549 5.945 ( 7.649 -1.975 -1.234) 7.995 6.748 ( -1.345 0.415 4.094) 4.330 6.934 ( -0.019 -7.827 1.483) 7.967 7.792 ( -14.442 -0.332 -13.351) 19.671 7.965 ( 8.225 2.819 12.646) 15.347 8.189 ( -5.813 3.015 -0.765) 6.593 9.251 ( -1.124 0.470 -1.592) 2.005 9.537 ( 21.504 1.383 -0.286) 21.551 9.794 ( 8.503 -0.530 -0.060) 8.520 12.317 ( -1.630 -0.184 -2.149) 2.703 12.426 ( 1.628 0.281 3.353) 3.738 13.912 ( -1.140 -1.387 -4.499) 4.844 14.273 ( -1.217 0.647 -5.848) 6.008 14.397 ( 5.972 -0.731 3.705) 7.066 14.956 ( 13.658 7.000 7.689) 17.166 15.177 ( -7.109 -0.341 6.174) 9.422 15.401 ( -1.937 0.964 -6.385) 6.742 16.132 ( -8.207 1.750 -1.109) 8.465 16.452 ( -2.708 -7.074 -2.507) 7.979 16.617 ( -4.309 -1.243 4.625) 6.442 16.932 ( 4.885 -0.655 -1.433) 5.133 ======================= Grid point 23 (17/140) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -11.041 4.633 0.632) 11.991 1.152 ( -8.389 2.286 1.132) 8.768 1.380 ( 2.984 0.472 1.477) 3.363 1.476 ( -0.639 1.679 -1.435) 2.299 1.530 ( -3.985 -3.792 -1.767) 5.778 1.597 ( 1.258 -1.067 -0.710) 1.796 1.818 ( 3.301 2.574 -0.910) 4.284 1.954 ( -3.610 -0.981 -4.312) 5.709 2.018 ( 3.317 7.325 0.550) 8.060 2.157 ( 2.362 4.932 3.050) 6.262 2.303 ( -7.588 1.096 1.524) 7.816 2.424 ( -0.347 0.751 2.010) 2.174 2.599 ( 3.976 -0.612 -2.882) 4.948 2.963 ( 0.320 1.471 2.251) 2.708 3.036 ( -4.970 0.196 1.229) 5.124 3.162 ( 2.428 -1.303 -3.809) 4.701 3.274 ( -12.538 -1.247 0.585) 12.614 3.417 ( -3.899 -0.686 -1.030) 4.090 3.671 ( -10.602 -4.954 6.979) 13.626 4.178 ( -16.209 -0.960 -7.472) 17.874 4.423 ( -2.648 -0.024 -14.291) 14.534 4.744 ( 0.962 -1.261 3.103) 3.485 4.909 ( -15.600 -2.922 5.484) 16.792 5.045 ( 9.968 0.429 3.524) 10.582 5.361 ( -8.327 2.252 -4.240) 9.612 5.414 ( -2.654 -1.400 -11.707) 12.085 5.788 ( -1.420 -2.383 15.454) 15.701 6.095 ( 6.036 -0.919 -1.198) 6.222 6.752 ( -0.858 -4.415 7.475) 8.724 7.016 ( 1.209 -6.823 3.102) 7.592 7.452 ( -17.670 -2.885 -8.325) 19.744 7.958 ( -11.722 5.721 -3.315) 13.459 8.193 ( 11.889 4.890 4.108) 13.496 9.225 ( 0.489 1.256 -0.096) 1.351 9.908 ( 17.083 2.034 -0.379) 17.208 9.984 ( 11.971 -0.558 -0.430) 11.992 12.292 ( -1.062 -0.341 -1.579) 1.933 12.458 ( 1.680 0.523 2.853) 3.352 13.899 ( -0.703 -0.662 -3.970) 4.086 14.243 ( -0.521 0.395 -5.114) 5.156 14.532 ( 6.679 -1.446 3.293) 7.586 14.975 ( -6.230 2.704 5.790) 8.925 15.172 ( 6.377 4.310 4.431) 8.881 15.317 ( -3.674 2.117 -7.607) 8.709 15.930 ( -9.002 3.116 -0.440) 9.537 16.504 ( 0.789 -3.416 -0.978) 3.640 16.595 ( -2.535 -7.483 6.133) 10.002 17.045 ( 5.445 -2.362 -1.348) 6.087 ======================= Grid point 24 (18/140) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -8.927 8.312 0.137) 12.198 0.857 ( -16.648 8.363 1.209) 18.670 1.406 ( -0.729 9.321 1.327) 9.443 1.417 ( -0.284 2.734 -4.730) 5.470 1.501 ( 0.001 1.124 1.883) 2.193 1.648 ( 1.066 -5.065 0.098) 5.177 1.790 ( -1.825 3.988 -1.955) 4.801 1.868 ( -3.547 6.968 0.231) 7.822 2.015 ( 2.874 0.083 -1.589) 3.285 2.089 ( -2.498 -2.929 1.075) 3.997 2.318 ( 1.370 -1.995 3.495) 4.251 2.428 ( 0.849 -2.059 0.888) 2.398 2.686 ( 4.626 -1.119 -3.789) 6.084 2.778 ( -14.547 0.028 2.406) 14.744 2.915 ( -5.589 1.261 3.285) 6.604 3.123 ( -3.691 -1.559 -0.099) 4.008 3.269 ( 6.099 2.887 -6.569) 9.417 3.415 ( 1.464 -0.481 -2.364) 2.822 3.680 ( 3.653 -4.648 8.551) 10.396 3.950 ( -7.226 -2.840 -3.175) 8.388 4.307 ( -8.521 -2.562 -19.431) 21.371 4.637 ( -13.088 -2.236 12.627) 18.323 4.811 ( 2.107 0.352 4.653) 5.120 5.176 ( -8.182 1.059 -2.777) 8.705 5.267 ( 11.024 -1.556 2.965) 11.521 5.413 ( 3.271 -2.044 -13.730) 14.261 5.758 ( -7.099 -1.461 11.943) 13.970 6.178 ( 2.451 -0.935 -0.952) 2.791 6.839 ( 3.017 -6.685 11.406) 13.560 7.124 ( 4.910 -1.847 5.194) 7.382 7.192 ( -12.936 -6.914 -12.912) 19.542 7.635 ( -15.707 5.360 -3.027) 16.870 8.315 ( 6.543 6.899 1.326) 9.600 9.234 ( 2.041 2.851 0.121) 3.508 10.107 ( 6.626 -0.810 0.392) 6.687 10.216 ( 11.061 2.695 -0.559) 11.399 12.280 ( -0.426 -0.425 -0.848) 1.039 12.485 ( 1.357 0.675 1.774) 2.333 13.885 ( -0.617 -0.016 -2.515) 2.589 14.229 ( 0.008 0.181 -3.182) 3.187 14.671 ( 5.050 -2.293 2.160) 5.952 14.844 ( -5.329 0.805 2.984) 6.161 15.204 ( -2.727 -0.258 -0.846) 2.867 15.249 ( 2.870 4.060 -3.697) 6.195 15.784 ( -2.709 2.546 -1.039) 3.860 16.508 ( 0.104 2.182 0.321) 2.208 16.667 ( -1.685 -9.056 6.460) 11.251 17.160 ( 3.533 -3.651 -0.838) 5.150 ======================= Grid point 25 (19/140) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 0.000 11.018 0.000) 11.018 0.524 ( 0.000 13.534 0.000) 13.534 1.190 ( 0.000 25.188 0.000) 25.188 1.404 ( 0.000 2.912 0.000) 2.912 1.493 ( 0.000 3.339 0.000) 3.339 1.704 ( -0.000 -3.863 -0.000) 3.863 1.758 ( -0.000 -0.546 -0.000) 0.546 1.790 ( -0.000 -0.964 -0.000) 0.964 2.015 ( 0.000 3.326 0.000) 3.326 2.154 ( -0.000 -8.744 -0.000) 8.744 2.344 ( -0.000 -2.737 -0.000) 2.737 2.480 ( -0.000 -2.638 -0.000) 2.638 2.631 ( -0.000 -0.325 -0.000) 0.325 2.759 ( -0.000 -2.015 -0.000) 2.015 2.818 ( 0.000 1.298 0.000) 1.298 3.117 ( -0.000 -1.316 -0.000) 1.316 3.306 ( 0.000 1.505 0.000) 1.505 3.429 ( 0.000 0.623 0.000) 0.623 3.724 ( 0.000 1.779 0.000) 1.779 4.031 ( 0.000 0.874 0.000) 0.874 4.166 ( -0.000 -13.274 -0.000) 13.274 4.529 ( -0.000 -1.023 -0.000) 1.023 4.829 ( 0.000 2.824 0.000) 2.824 5.081 ( -0.000 -0.255 -0.000) 0.255 5.405 ( -0.000 -4.441 -0.000) 4.441 5.539 ( -0.000 -1.653 -0.000) 1.653 5.621 ( 0.000 0.589 0.000) 0.589 6.210 ( -0.000 -1.483 -0.000) 1.483 6.976 ( -0.000 -1.283 -0.000) 1.283 7.087 ( -0.000 -11.317 -0.000) 11.317 7.272 ( -0.000 -3.086 -0.000) 3.086 7.323 ( 0.000 8.811 0.000) 8.811 8.311 ( 0.000 6.749 0.000) 6.749 9.228 ( 0.000 3.241 0.000) 3.241 10.180 ( -0.000 -0.958 -0.000) 0.958 10.294 ( 0.000 3.318 0.000) 3.318 12.280 ( -0.000 -0.428 -0.000) 0.428 12.495 ( 0.000 0.623 0.000) 0.623 13.873 ( 0.000 0.313 0.000) 0.313 14.227 ( 0.000 0.066 0.000) 0.066 14.727 ( -0.000 -1.085 -0.000) 1.085 14.812 ( -0.000 -1.159 -0.000) 1.159 15.165 ( -0.000 -0.124 -0.000) 0.124 15.275 ( -0.000 -0.600 -0.000) 0.600 15.768 ( 0.000 0.143 0.000) 0.143 16.485 ( 0.000 2.606 0.000) 2.606 16.698 ( -0.000 -4.036 -0.000) 4.036 17.232 ( -0.000 -3.977 -0.000) 3.977 ======================= Grid point 30 (20/140) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -1.782 0.000 0.584) 1.876 1.199 ( -0.949 0.000 0.631) 1.140 1.356 ( -0.293 0.000 2.166) 2.186 1.488 ( -0.233 0.000 1.411) 1.430 1.562 ( 1.199 -0.000 0.005) 1.199 1.603 ( -4.207 0.000 -5.656) 7.049 1.816 ( 1.520 -0.000 -0.385) 1.568 2.022 ( -2.950 0.000 -3.860) 4.858 2.034 ( 4.185 -0.000 -1.435) 4.424 2.132 ( 0.039 -0.000 4.136) 4.136 2.449 ( 2.422 -0.000 2.371) 3.390 2.465 ( 3.923 -0.000 -1.731) 4.288 2.599 ( -2.036 0.000 0.246) 2.051 2.891 ( 6.136 -0.000 -5.027) 7.933 2.995 ( -2.505 0.000 1.646) 2.997 3.171 ( 0.278 -0.000 2.812) 2.826 3.459 ( -9.969 0.000 4.277) 10.848 3.590 ( -10.269 0.000 -1.593) 10.392 3.880 ( -16.206 0.000 0.841) 16.228 4.438 ( 2.635 -0.000 -7.473) 7.924 4.526 ( -20.810 0.000 -5.849) 21.617 4.710 ( -1.318 0.000 4.839) 5.015 4.878 ( 6.105 -0.000 -2.032) 6.435 5.174 ( -14.364 0.000 6.224) 15.654 5.478 ( -3.379 0.000 -17.392) 17.717 5.552 ( -4.601 0.000 -7.191) 8.537 5.762 ( -4.792 0.000 20.314) 20.872 5.923 ( 9.357 -0.000 -1.336) 9.452 6.755 ( -4.448 0.000 2.228) 4.975 6.850 ( 1.402 -0.000 3.592) 3.856 7.790 ( -14.558 0.000 -13.889) 20.121 7.993 ( 7.994 -0.000 15.111) 17.095 8.221 ( -4.190 0.000 -2.898) 5.095 9.255 ( -1.701 0.000 -1.158) 2.057 9.551 ( 22.779 -0.000 -0.710) 22.790 9.788 ( 7.925 -0.000 -0.028) 7.925 12.316 ( -1.690 0.000 -2.136) 2.724 12.429 ( 1.710 -0.000 3.471) 3.869 13.898 ( -0.451 0.000 -4.790) 4.812 14.279 ( -1.470 0.000 -7.360) 7.505 14.389 ( 5.764 -0.000 5.195) 7.760 15.027 ( 14.737 -0.000 8.400) 16.963 15.172 ( -8.759 0.000 7.381) 11.454 15.412 ( -1.068 0.000 -5.882) 5.978 16.155 ( -5.276 0.000 -1.988) 5.638 16.366 ( -6.252 0.000 -3.261) 7.051 16.612 ( -3.996 0.000 4.056) 5.694 16.926 ( 4.118 -0.000 -1.311) 4.322 ======================= Grid point 32 (21/140) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -9.311 -0.043 1.047) 9.370 1.166 ( -3.780 -0.112 0.353) 3.798 1.403 ( 4.030 1.972 2.006) 4.914 1.478 ( -0.533 -1.463 1.473) 2.143 1.494 ( -4.954 0.002 -4.731) 6.851 1.570 ( -1.046 -1.166 -0.945) 1.830 1.867 ( 4.367 1.609 -0.416) 4.672 1.925 ( -5.680 -1.009 -1.959) 6.092 2.112 ( 4.566 3.177 -0.009) 5.563 2.191 ( 3.453 -1.850 1.813) 4.317 2.412 ( -8.071 6.715 1.643) 10.627 2.444 ( -2.557 0.857 2.222) 3.495 2.592 ( 3.832 -0.140 -2.650) 4.661 2.977 ( -0.002 0.305 2.234) 2.255 3.037 ( -0.217 -0.245 -0.830) 0.892 3.130 ( 1.000 -1.394 -0.980) 1.976 3.257 ( -12.432 -0.572 0.072) 12.445 3.401 ( -4.947 -0.714 -1.774) 5.304 3.590 ( -14.122 -2.493 6.867) 15.900 4.177 ( -15.048 0.344 -9.284) 17.685 4.427 ( -2.396 0.175 -14.098) 14.301 4.723 ( 1.820 -0.667 3.408) 3.921 4.863 ( -16.453 -1.459 6.554) 17.770 5.051 ( 8.893 0.183 3.484) 9.553 5.391 ( -3.918 -0.029 -12.528) 13.127 5.398 ( -8.156 0.520 -7.169) 10.871 5.753 ( -1.103 -1.023 18.104) 18.167 6.090 ( 7.648 0.186 -0.884) 7.701 6.657 ( -6.404 -3.816 6.324) 9.776 6.939 ( 5.950 -1.581 3.049) 6.870 7.420 ( -18.860 -0.725 -6.811) 20.065 8.040 ( -12.807 2.356 -2.676) 13.294 8.261 ( 13.925 1.903 2.958) 14.363 9.245 ( 1.673 0.588 0.106) 1.777 9.939 ( 11.285 1.056 0.077) 11.335 9.973 ( 17.656 -0.521 -1.202) 17.705 12.287 ( -1.106 -0.136 -1.561) 1.918 12.466 ( 1.808 0.249 2.981) 3.495 13.890 ( 0.012 -0.227 -4.448) 4.454 14.248 ( -0.658 0.153 -6.166) 6.203 14.510 ( 6.054 -0.654 4.494) 7.568 15.005 ( -9.201 0.686 5.846) 10.923 15.213 ( 3.441 0.647 4.167) 5.442 15.361 ( -2.558 1.541 -3.348) 4.486 15.996 ( -8.865 2.956 -0.529) 9.360 16.361 ( 3.215 -6.015 -1.588) 7.003 16.569 ( -1.327 0.316 2.940) 3.241 17.013 ( 4.581 -0.898 -1.053) 4.785 ======================= Grid point 33 (22/140) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -8.231 2.742 1.134) 8.749 1.008 ( -9.786 6.833 -0.359) 11.941 1.418 ( 0.245 0.907 -0.766) 1.212 1.451 ( -0.871 -2.323 -0.445) 2.521 1.504 ( -0.394 -1.585 1.797) 2.428 1.568 ( -0.065 -2.594 -0.822) 2.722 1.848 ( -2.764 -0.966 -1.668) 3.369 1.939 ( 4.538 1.321 -1.098) 4.852 2.114 ( -3.665 3.270 1.790) 5.227 2.167 ( -2.604 12.269 -0.094) 12.542 2.271 ( 1.335 -0.917 1.949) 2.534 2.396 ( -1.593 -1.164 0.888) 2.163 2.668 ( 3.812 -0.654 -2.640) 4.683 2.781 ( -14.748 0.263 1.719) 14.850 2.932 ( -6.462 0.643 2.896) 7.110 3.092 ( -3.089 -1.359 -0.921) 3.498 3.326 ( 6.274 2.667 -1.746) 7.037 3.403 ( 2.419 -0.870 -3.673) 4.484 3.530 ( 4.811 -9.254 7.607) 12.909 3.933 ( -8.732 0.419 -6.609) 10.959 4.276 ( -11.800 -0.906 -16.479) 20.288 4.607 ( -11.135 -0.949 12.417) 16.706 4.807 ( 4.843 -0.516 3.456) 5.973 5.195 ( -9.364 0.887 -3.364) 9.990 5.235 ( 6.922 -1.517 4.117) 8.196 5.384 ( 4.853 -1.005 -16.486) 17.215 5.732 ( -6.031 -1.065 13.984) 15.266 6.183 ( 3.320 1.348 -0.390) 3.604 6.669 ( 0.235 -9.248 9.059) 12.948 7.095 ( 6.377 -0.898 0.328) 6.448 7.115 ( -11.324 -1.921 -5.944) 12.932 7.732 ( -15.214 3.986 -2.693) 15.956 8.432 ( 7.200 4.669 0.862) 8.625 9.283 ( 2.844 1.957 0.218) 3.459 10.093 ( 6.193 -0.577 0.348) 6.230 10.258 ( 11.570 1.521 -0.881) 11.703 12.273 ( -0.443 -0.280 -0.828) 0.980 12.497 ( 1.410 0.525 1.816) 2.359 13.884 ( -0.199 -0.021 -2.896) 2.903 14.232 ( -0.136 0.108 -3.682) 3.686 14.632 ( 4.728 -1.565 2.838) 5.732 14.856 ( -6.213 0.467 3.271) 7.037 15.198 ( -2.921 -0.238 -1.753) 3.415 15.293 ( -2.678 1.027 0.598) 2.930 15.828 ( -5.535 1.812 -0.089) 5.825 16.516 ( 5.275 -3.486 -0.173) 6.325 16.558 ( 0.332 -0.228 2.480) 2.513 17.100 ( 2.922 -2.366 -0.581) 3.804 ======================= Grid point 34 (23/140) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 0.000 6.086 0.000) 6.086 0.777 ( 0.000 12.613 0.000) 12.613 1.412 ( -0.000 -0.448 -0.000) 0.448 1.461 ( 0.000 1.821 0.000) 1.821 1.553 ( -0.000 -9.072 -0.000) 9.072 1.557 ( 0.000 3.920 0.000) 3.920 1.829 ( 0.000 2.258 0.000) 2.258 1.930 ( 0.000 14.768 0.000) 14.768 2.004 ( -0.000 -4.673 -0.000) 4.673 2.098 ( 0.000 5.836 0.000) 5.836 2.288 ( -0.000 -3.008 -0.000) 3.008 2.420 ( -0.000 -3.094 -0.000) 3.094 2.629 ( 0.000 0.061 0.000) 0.061 2.723 ( -0.000 -1.608 -0.000) 1.608 2.838 ( 0.000 0.766 0.000) 0.766 3.091 ( -0.000 -1.239 -0.000) 1.239 3.336 ( 0.000 1.464 0.000) 1.464 3.435 ( -0.000 -0.452 -0.000) 0.452 3.738 ( -0.000 -1.673 -0.000) 1.673 3.922 ( -0.000 -9.951 -0.000) 9.951 4.045 ( 0.000 0.485 0.000) 0.485 4.518 ( -0.000 -0.154 -0.000) 0.154 4.875 ( 0.000 1.834 0.000) 1.834 5.073 ( -0.000 -0.515 -0.000) 0.515 5.321 ( -0.000 -3.908 -0.000) 3.908 5.507 ( -0.000 -1.502 -0.000) 1.502 5.628 ( 0.000 0.100 0.000) 0.100 6.201 ( 0.000 0.730 0.000) 0.730 6.831 ( -0.000 -13.599 -0.000) 13.599 6.953 ( -0.000 -0.972 -0.000) 0.972 7.239 ( -0.000 -0.921 -0.000) 0.921 7.478 ( 0.000 6.770 0.000) 6.770 8.444 ( 0.000 6.486 0.000) 6.486 9.289 ( 0.000 2.911 0.000) 2.911 10.162 ( -0.000 -0.852 -0.000) 0.852 10.349 ( 0.000 2.331 0.000) 2.331 12.271 ( -0.000 -0.382 -0.000) 0.382 12.508 ( 0.000 0.666 0.000) 0.666 13.878 ( 0.000 0.154 0.000) 0.154 14.228 ( 0.000 0.052 0.000) 0.052 14.697 ( -0.000 -1.763 -0.000) 1.763 14.800 ( -0.000 -0.205 -0.000) 0.205 15.163 ( -0.000 -0.119 -0.000) 0.119 15.264 ( -0.000 -0.514 -0.000) 0.514 15.771 ( 0.000 0.132 0.000) 0.132 16.532 ( 0.000 2.101 0.000) 2.101 16.622 ( -0.000 -3.551 -0.000) 3.551 17.157 ( -0.000 -3.498 -0.000) 3.498 ======================= Grid point 41 (24/140) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -7.870 0.000 1.407) 7.995 1.084 ( -4.857 0.000 -0.889) 4.938 1.433 ( -0.794 0.000 -3.599) 3.686 1.448 ( -7.161 0.000 1.634) 7.346 1.450 ( -0.923 0.000 2.007) 2.209 1.544 ( 5.288 -0.000 -0.199) 5.292 1.822 ( -4.983 0.000 -0.469) 5.005 1.965 ( 4.897 -0.000 -0.093) 4.898 2.165 ( -3.166 0.000 1.195) 3.384 2.191 ( 0.966 -0.000 -0.552) 1.113 2.364 ( -0.676 0.000 0.937) 1.156 2.385 ( -2.847 0.000 0.839) 2.968 2.662 ( 3.437 -0.000 -2.228) 4.096 2.785 ( -14.825 0.000 1.429) 14.893 2.939 ( -6.814 0.000 2.558) 7.279 3.078 ( -2.763 0.000 -1.212) 3.017 3.350 ( 7.133 -0.000 5.687) 9.123 3.404 ( -5.624 0.000 5.308) 7.733 3.410 ( 11.665 -0.000 -8.754) 14.584 3.941 ( -9.035 0.000 -6.872) 11.352 4.268 ( -12.724 0.000 -14.934) 19.619 4.598 ( -10.164 0.000 12.310) 15.963 4.801 ( 6.014 -0.000 2.836) 6.650 5.206 ( -10.276 0.000 -3.975) 11.018 5.218 ( 5.711 -0.000 4.368) 7.189 5.374 ( 5.427 -0.000 -16.947) 17.794 5.721 ( -5.628 0.000 14.719) 15.758 6.206 ( 4.264 -0.000 -0.615) 4.309 6.563 ( -1.196 0.000 8.134) 8.221 7.090 ( 9.621 -0.000 2.934) 10.059 7.095 ( -13.724 0.000 -7.304) 15.547 7.772 ( -15.131 0.000 -2.553) 15.345 8.479 ( 7.517 -0.000 0.726) 7.552 9.302 ( 3.123 -0.000 0.242) 3.132 10.087 ( 6.069 -0.000 0.342) 6.078 10.273 ( 11.677 -0.000 -0.969) 11.717 12.270 ( -0.451 0.000 -0.824) 0.939 12.503 ( 1.427 -0.000 1.837) 2.326 13.884 ( -0.073 0.000 -3.091) 3.092 14.233 ( -0.193 0.000 -3.888) 3.893 14.616 ( 4.614 -0.000 3.155) 5.590 14.861 ( -6.501 0.000 3.395) 7.334 15.196 ( -2.849 0.000 -1.780) 3.359 15.302 ( -4.166 0.000 1.556) 4.447 15.846 ( -7.384 0.000 0.634) 7.411 16.472 ( 8.582 -0.000 -0.716) 8.612 16.565 ( 0.003 -0.000 1.267) 1.267 17.076 ( 2.664 -0.000 -0.458) 2.703 ======================= Grid point 43 (25/140) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.000 0.962 0.000) 0.962 0.987 ( 0.000 7.831 0.000) 7.831 1.385 ( -0.000 -6.059 -0.000) 6.059 1.432 ( 0.000 1.123 0.000) 1.123 1.438 ( -0.000 -1.415 -0.000) 1.415 1.616 ( 0.000 1.737 0.000) 1.737 1.771 ( -0.000 -4.264 -0.000) 4.264 2.013 ( 0.000 1.996 0.000) 1.996 2.113 ( 0.000 4.082 0.000) 4.082 2.195 ( -0.000 -1.238 -0.000) 1.238 2.321 ( 0.000 7.927 0.000) 7.927 2.374 ( -0.000 -1.389 -0.000) 1.389 2.631 ( 0.000 0.133 0.000) 0.133 2.701 ( -0.000 -0.578 -0.000) 0.578 2.847 ( 0.000 0.198 0.000) 0.198 3.074 ( -0.000 -0.464 -0.000) 0.464 3.357 ( 0.000 0.580 0.000) 0.580 3.397 ( -0.000 -2.886 -0.000) 2.886 3.650 ( -0.000 -3.836 -0.000) 3.836 3.846 ( -0.000 -0.393 -0.000) 0.393 4.050 ( 0.000 0.128 0.000) 0.128 4.519 ( 0.000 0.085 0.000) 0.085 4.898 ( 0.000 0.631 0.000) 0.631 5.065 ( -0.000 -0.237 -0.000) 0.237 5.266 ( -0.000 -1.564 -0.000) 1.564 5.486 ( -0.000 -0.615 -0.000) 0.615 5.627 ( -0.000 -0.112 -0.000) 0.112 6.234 ( 0.000 2.023 0.000) 2.023 6.618 ( -0.000 -7.098 -0.000) 7.098 6.940 ( -0.000 -0.343 -0.000) 0.343 7.228 ( -0.000 -0.265 -0.000) 0.265 7.568 ( 0.000 2.455 0.000) 2.455 8.536 ( 0.000 2.646 0.000) 2.646 9.330 ( 0.000 1.176 0.000) 1.176 10.150 ( -0.000 -0.339 -0.000) 0.339 10.380 ( 0.000 0.789 0.000) 0.789 12.266 ( -0.000 -0.153 -0.000) 0.153 12.518 ( 0.000 0.297 0.000) 0.297 13.880 ( 0.000 0.028 0.000) 0.028 14.229 ( 0.000 0.019 0.000) 0.019 14.670 ( -0.000 -0.808 -0.000) 0.808 14.799 ( 0.000 0.022 0.000) 0.022 15.161 ( -0.000 -0.050 -0.000) 0.050 15.257 ( -0.000 -0.201 -0.000) 0.201 15.773 ( 0.000 0.054 0.000) 0.054 16.560 ( 0.000 0.737 0.000) 0.737 16.573 ( -0.000 -1.351 -0.000) 1.351 17.108 ( -0.000 -1.381 -0.000) 1.381 ======================= Grid point 85 (26/140) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.292 ( -2.054 0.000 14.368) 14.515 0.365 ( 1.191 -0.000 17.013) 17.055 0.781 ( -1.628 0.000 35.629) 35.667 1.217 ( 0.515 -0.000 -3.462) 3.500 1.337 ( 0.949 -0.000 -5.373) 5.456 1.744 ( 2.710 -0.000 1.339) 3.023 1.859 ( 0.133 -0.000 -1.490) 1.496 1.897 ( 2.164 -0.000 0.399) 2.201 1.961 ( -4.437 0.000 0.978) 4.544 2.321 ( 0.640 -0.000 -3.025) 3.091 2.420 ( -1.445 0.000 -2.537) 2.920 2.465 ( -2.125 0.000 -2.330) 3.154 2.546 ( 2.071 -0.000 -1.702) 2.680 2.701 ( -4.389 0.000 3.826) 5.822 2.718 ( 12.219 -0.000 -6.460) 13.822 2.934 ( 5.553 -0.000 1.344) 5.714 3.160 ( 3.369 -0.000 0.089) 3.371 3.413 ( 2.737 -0.000 -5.765) 6.382 3.712 ( -3.780 0.000 4.845) 6.145 4.099 ( 4.245 -0.000 7.699) 8.791 4.665 ( -6.246 0.000 7.105) 9.460 4.730 ( -3.843 0.000 10.916) 11.573 4.925 ( -8.254 0.000 -2.954) 8.767 5.068 ( 2.615 -0.000 0.117) 2.618 5.183 ( 5.068 -0.000 -17.956) 18.658 5.506 ( 0.023 -0.000 -0.055) 0.059 5.943 ( -4.956 0.000 17.158) 17.860 6.355 ( 5.782 -0.000 -6.015) 8.344 6.799 ( -2.755 0.000 -21.915) 22.088 6.976 ( 0.423 -0.000 -3.569) 3.594 7.243 ( -4.608 0.000 2.184) 5.099 7.552 ( 6.523 -0.000 4.177) 7.746 8.267 ( -2.411 0.000 8.476) 8.812 9.106 ( 0.700 -0.000 -4.544) 4.598 10.223 ( -0.422 0.000 1.406) 1.468 10.377 ( -7.372 0.000 -1.051) 7.446 12.302 ( 1.030 -0.000 1.185) 1.570 12.470 ( -1.302 0.000 -1.139) 1.730 13.872 ( 2.460 -0.000 0.614) 2.536 14.136 ( -1.225 0.000 -2.687) 2.953 14.776 ( -2.182 0.000 3.432) 4.067 14.934 ( -5.454 0.000 6.535) 8.512 15.160 ( 4.626 -0.000 -0.580) 4.662 15.419 ( 67.248 -0.000 -0.201) 67.249 15.622 ( -1.390 0.000 -1.089) 1.766 16.251 ( -20.997 0.000 -12.558) 24.466 16.856 ( -42.675 0.000 9.192) 43.654 17.312 ( 1.892 -0.000 -1.193) 2.236 ======================= Grid point 86 (27/140) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 7.145 -11.072 9.122) 16.027 0.655 ( 14.665 -2.341 13.112) 19.810 1.024 ( 18.552 -5.862 23.754) 30.705 1.232 ( 0.526 -3.470 -2.355) 4.227 1.347 ( -0.154 -1.619 -3.985) 4.304 1.824 ( 3.700 0.134 1.962) 4.190 1.855 ( 0.995 2.354 -1.526) 2.976 1.896 ( -1.525 -0.323 -3.291) 3.642 1.914 ( 1.034 1.505 2.974) 3.490 2.284 ( -2.426 1.536 -2.624) 3.890 2.323 ( -1.717 6.404 -3.445) 7.472 2.453 ( -3.337 -3.252 -1.722) 4.968 2.661 ( 5.155 -3.900 -2.709) 7.009 2.732 ( 7.858 0.536 -1.328) 7.988 2.766 ( -2.055 -0.874 -0.241) 2.246 3.137 ( 5.657 0.112 0.610) 5.691 3.304 ( 11.931 -0.321 -4.490) 12.752 3.444 ( 1.553 -0.289 -3.458) 3.801 3.544 ( -9.475 -0.088 0.202) 9.478 4.226 ( 8.856 1.160 10.305) 13.637 4.604 ( 3.450 3.090 2.462) 5.245 4.743 ( -6.229 0.847 0.976) 6.362 4.809 ( 6.749 -1.365 13.398) 15.064 5.129 ( -7.426 -0.362 -10.328) 12.726 5.195 ( 8.495 -0.589 3.817) 9.332 5.489 ( -0.873 0.383 -5.314) 5.399 5.931 ( -0.303 0.499 16.012) 16.022 6.299 ( -4.344 2.310 -1.137) 5.050 6.789 ( 6.052 4.245 -18.140) 19.589 6.944 ( -3.535 -0.049 -3.376) 4.888 7.413 ( 13.555 -0.415 -13.190) 18.918 7.697 ( 9.571 3.894 2.889) 10.729 8.198 ( -7.519 -2.444 9.566) 12.410 9.123 ( 2.101 -0.427 -4.624) 5.097 10.135 ( -12.856 0.598 3.063) 13.229 10.160 ( -8.535 -0.749 1.352) 8.674 12.324 ( 1.199 0.196 2.028) 2.364 12.434 ( -1.547 0.844 -2.137) 2.770 13.928 ( 3.055 -0.142 1.799) 3.548 14.126 ( -2.540 -5.553 -4.414) 7.535 14.767 ( -7.776 1.576 1.811) 8.139 14.799 ( 0.161 -0.866 2.116) 2.292 15.256 ( -0.068 4.429 5.315) 6.919 15.391 ( -23.677 -3.130 19.959) 31.125 15.680 ( 3.773 -2.069 -0.674) 4.356 16.414 ( 13.758 -0.123 -12.420) 18.535 16.611 ( 11.165 2.742 -6.982) 13.451 17.304 ( -3.313 -0.504 0.619) 3.408 ======================= Grid point 87 (28/140) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 8.061 -10.807 6.176) 14.830 0.926 ( 9.891 -4.986 10.424) 15.210 1.270 ( -0.354 -6.835 0.417) 6.856 1.356 ( 1.232 -1.080 -2.145) 2.699 1.515 ( 19.309 -3.207 7.732) 21.045 1.805 ( -1.672 4.273 1.065) 4.711 1.824 ( -2.468 0.353 0.669) 2.582 1.889 ( 0.470 1.458 -2.219) 2.696 1.965 ( 2.936 -0.543 3.272) 4.430 2.209 ( -1.268 3.365 -2.488) 4.373 2.289 ( 2.305 1.874 -1.344) 3.261 2.389 ( -4.163 0.073 -0.836) 4.247 2.692 ( -3.992 1.091 0.789) 4.213 2.748 ( 0.528 -5.407 -2.071) 5.814 2.965 ( 12.495 0.519 -4.212) 13.196 3.196 ( 2.431 -1.642 -1.308) 3.212 3.299 ( -5.240 2.207 1.319) 5.837 3.482 ( 3.853 -0.216 -0.287) 3.870 3.681 ( 17.799 0.921 -4.253) 18.323 4.432 ( 11.400 0.787 11.139) 15.958 4.635 ( 0.596 1.424 0.445) 1.607 4.672 ( -0.854 0.629 -6.046) 6.139 4.955 ( -8.946 -1.960 -0.913) 9.203 5.033 ( 14.568 3.140 8.056) 16.940 5.380 ( 8.300 0.437 4.234) 9.328 5.482 ( 3.193 -1.230 -4.214) 5.428 5.920 ( -2.866 1.314 14.008) 14.359 6.184 ( -6.295 2.022 -0.588) 6.638 6.739 ( -3.648 4.879 -3.360) 6.957 7.030 ( 13.625 1.412 -17.267) 22.040 7.600 ( 6.641 -4.722 -9.535) 12.543 7.772 ( 0.162 5.186 -4.852) 7.104 8.122 ( -2.191 -3.062 14.524) 15.004 9.179 ( 4.649 0.636 -4.566) 6.548 9.838 ( -19.525 -1.715 2.429) 19.751 9.993 ( -10.110 0.247 -0.682) 10.136 12.350 ( 1.536 0.333 2.607) 3.045 12.395 ( -1.402 0.695 -2.703) 3.123 13.991 ( 3.384 0.273 2.553) 4.247 14.124 ( -3.696 -7.286 -5.297) 9.737 14.579 ( -9.132 0.911 -1.040) 9.236 14.803 ( -5.653 -1.804 8.379) 10.267 15.066 ( -2.359 -0.652 7.641) 8.024 15.429 ( 4.610 -1.479 6.165) 7.838 15.831 ( 9.706 -1.196 -0.026) 9.779 16.469 ( -0.220 -1.669 2.254) 2.813 16.772 ( 9.645 9.245 -16.452) 21.193 17.205 ( -7.023 0.753 2.184) 7.393 ======================= Grid point 88 (29/140) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 7.414 -9.460 3.944) 12.649 1.152 ( 6.829 -5.558 4.690) 9.976 1.332 ( 1.136 -4.551 1.272) 4.860 1.394 ( 1.758 -1.790 -1.890) 3.141 1.629 ( -2.306 5.329 0.423) 5.822 1.752 ( -2.136 2.731 -1.560) 3.802 1.845 ( -3.825 -0.811 2.512) 4.647 1.875 ( 3.613 0.827 2.923) 4.721 2.033 ( 5.361 2.073 4.430) 7.257 2.157 ( -2.987 1.493 -0.426) 3.366 2.343 ( 2.161 -1.728 2.392) 3.658 2.357 ( 2.818 -1.263 -1.651) 3.502 2.609 ( -3.044 1.521 0.954) 3.534 2.792 ( -1.040 -5.209 -1.916) 5.647 3.093 ( 3.197 1.789 -1.857) 4.108 3.202 ( -1.848 2.337 1.138) 3.190 3.287 ( 5.311 -1.491 -7.969) 9.692 3.608 ( 7.930 -0.660 -1.162) 8.042 3.988 ( 15.107 1.666 1.010) 15.232 4.489 ( -8.254 -0.314 -1.677) 8.428 4.653 ( 2.969 0.589 -1.091) 3.217 4.739 ( 11.611 2.498 0.671) 11.896 4.897 ( 1.464 -1.768 5.489) 5.949 5.254 ( 10.253 3.022 0.576) 10.704 5.447 ( 2.959 1.220 -6.078) 6.869 5.681 ( 11.260 -0.696 8.425) 14.080 5.847 ( -5.762 0.423 14.206) 15.336 6.022 ( -8.274 0.425 -0.054) 8.286 6.645 ( -2.166 0.697 -1.770) 2.883 7.243 ( 13.055 7.563 -10.756) 18.529 7.574 ( -10.647 0.043 -7.467) 13.005 7.763 ( 2.599 -9.165 -8.770) 12.948 8.243 ( 10.747 2.317 10.884) 15.470 9.263 ( 5.020 1.122 -2.242) 5.611 9.463 ( -21.607 -2.124 1.403) 21.757 9.794 ( -10.146 0.380 -1.875) 10.325 12.361 ( -1.234 0.409 -2.692) 2.990 12.383 ( 1.797 0.381 2.925) 3.454 14.047 ( 1.778 0.011 0.544) 1.859 14.116 ( -2.446 -5.756 -3.946) 7.395 14.420 ( -6.918 0.341 -2.585) 7.393 14.714 ( -5.641 -2.023 10.701) 12.265 15.126 ( 5.585 1.422 -1.440) 5.940 15.518 ( 2.312 -0.824 6.900) 7.323 16.041 ( 10.219 -2.667 0.513) 10.574 16.492 ( 0.581 -2.013 0.817) 2.249 16.775 ( 3.356 8.684 -9.599) 13.372 17.050 ( -8.374 1.454 3.044) 9.028 ======================= Grid point 89 (30/140) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 5.069 -7.563 1.771) 9.275 1.265 ( 1.207 -0.622 1.774) 2.234 1.393 ( 3.436 2.587 -0.297) 4.311 1.456 ( 1.722 -5.163 0.713) 5.489 1.545 ( -1.644 2.286 0.622) 2.884 1.656 ( -5.868 2.970 -0.573) 6.602 1.788 ( -1.245 -0.227 3.355) 3.586 1.880 ( -0.772 0.658 0.357) 1.075 2.047 ( -4.812 1.535 2.895) 5.822 2.099 ( 1.402 1.792 0.939) 2.461 2.420 ( 2.043 -2.034 1.672) 3.332 2.459 ( 4.559 -2.627 1.530) 5.480 2.557 ( -0.845 1.904 -0.728) 2.207 2.801 ( -2.647 -4.300 -0.409) 5.066 3.071 ( -1.547 2.794 2.157) 3.854 3.179 ( 1.057 1.512 1.243) 2.224 3.429 ( 9.318 -1.386 -9.954) 13.705 3.706 ( 1.072 -0.722 -2.625) 2.926 4.146 ( 1.344 1.543 -1.388) 2.472 4.316 ( -6.178 1.097 -5.427) 8.296 4.737 ( 5.418 0.285 1.833) 5.727 4.859 ( 0.905 -3.033 7.902) 8.512 5.063 ( 12.379 2.280 0.588) 12.600 5.354 ( 4.082 2.794 -4.135) 6.447 5.479 ( 1.270 -1.331 -6.687) 6.935 5.583 ( -14.070 1.977 5.741) 15.325 5.869 ( -5.130 -2.970 11.459) 12.901 6.033 ( 10.142 -0.529 7.407) 12.570 6.652 ( 2.850 -1.473 -1.894) 3.725 7.168 ( -9.578 4.943 6.750) 12.717 7.560 ( 9.436 1.337 -18.531) 20.838 7.840 ( -2.035 -6.358 -7.406) 9.970 8.485 ( 17.023 3.940 4.161) 17.962 9.026 ( -23.540 -2.504 6.740) 24.613 9.413 ( 8.612 1.118 -4.958) 10.000 9.618 ( -8.054 -0.502 -2.004) 8.315 12.332 ( -1.152 0.193 -2.365) 2.638 12.417 ( 1.734 0.338 2.952) 3.440 14.031 ( -4.645 -4.397 -4.749) 7.966 14.158 ( 4.531 1.783 0.428) 4.888 14.307 ( -4.818 -0.294 -3.183) 5.782 14.680 ( -0.430 0.813 9.859) 9.902 15.199 ( 3.923 1.726 -3.819) 5.740 15.542 ( -1.619 -0.122 6.877) 7.066 16.228 ( 5.507 -2.752 0.743) 6.201 16.534 ( 1.422 -2.832 -0.630) 3.232 16.743 ( 2.506 5.344 -4.165) 7.224 16.900 ( -6.188 0.428 3.009) 6.894 ======================= Grid point 90 (31/140) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -2.337 7.487 1.793) 8.046 1.252 ( -1.864 -0.631 2.039) 2.834 1.404 ( -0.874 4.581 -1.508) 4.901 1.469 ( -4.546 0.212 3.710) 5.872 1.541 ( 1.554 -0.500 0.113) 1.637 1.586 ( 3.042 -5.369 -1.770) 6.420 1.805 ( 1.866 1.605 2.769) 3.705 1.869 ( -1.348 -3.083 0.086) 3.366 1.943 ( -6.090 -2.368 0.847) 6.589 2.126 ( 2.080 0.267 1.392) 2.517 2.413 ( -2.386 5.753 0.286) 6.235 2.474 ( -1.193 0.003 1.669) 2.051 2.608 ( 3.125 -3.018 0.535) 4.377 2.779 ( -2.307 -1.601 -0.488) 2.850 3.039 ( -0.174 0.191 2.342) 2.356 3.204 ( 2.222 0.811 1.854) 3.005 3.591 ( 6.645 -0.968 -6.842) 9.586 3.656 ( -5.742 -0.451 -4.334) 7.208 4.033 ( -7.963 0.945 -1.120) 8.097 4.226 ( -3.186 2.590 -7.871) 8.877 4.762 ( -3.975 0.866 -1.459) 4.321 4.915 ( 0.281 -4.614 8.353) 9.546 5.181 ( -2.320 2.897 2.852) 4.681 5.268 ( -9.257 -2.417 3.778) 10.287 5.388 ( -1.532 0.267 -3.680) 3.995 5.542 ( -0.452 -3.744 -1.584) 4.091 5.831 ( -0.051 -2.526 2.542) 3.584 6.176 ( 2.288 1.301 13.985) 14.231 6.752 ( 5.986 -1.213 -3.630) 7.105 7.046 ( 0.603 1.450 6.749) 6.929 7.673 ( 7.576 6.072 -13.760) 16.840 7.783 ( -8.723 -6.740 -9.741) 14.711 8.621 ( -18.149 -1.643 10.673) 21.119 8.820 ( 17.839 4.815 -3.487) 18.803 9.499 ( -2.718 -1.900 -0.201) 3.322 9.596 ( 9.799 -0.133 -3.216) 10.314 12.307 ( -1.058 0.089 -1.912) 2.187 12.448 ( 1.391 0.179 2.666) 3.013 13.970 ( -4.926 -3.751 -4.825) 7.849 14.226 ( 1.175 1.180 -5.833) 6.066 14.240 ( 2.892 3.887 3.047) 5.724 14.701 ( 3.125 3.802 9.039) 10.292 15.226 ( 1.117 0.668 -4.589) 4.770 15.474 ( -6.364 0.931 6.050) 8.830 16.255 ( -4.180 -0.108 2.037) 4.651 16.576 ( -1.329 -2.464 -0.806) 2.913 16.759 ( 3.848 0.906 -1.651) 4.284 16.897 ( 4.095 -4.467 2.020) 6.388 ======================= Grid point 91 (32/140) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -5.433 13.187 3.789) 14.757 1.099 ( -11.921 4.918 5.231) 13.916 1.286 ( -1.995 4.750 -1.283) 5.309 1.462 ( -1.464 -1.102 1.420) 2.318 1.607 ( 4.958 -0.604 -0.764) 5.052 1.696 ( -0.344 -6.597 -2.509) 7.066 1.809 ( -0.736 3.622 2.475) 4.448 1.835 ( -3.783 -1.641 0.922) 4.226 1.907 ( -1.068 -3.541 0.141) 3.701 2.150 ( -0.625 -1.150 1.241) 1.804 2.318 ( 0.320 3.804 -0.919) 3.927 2.464 ( -0.065 0.398 1.821) 1.866 2.632 ( -4.106 -2.925 2.027) 5.433 2.768 ( 2.281 3.291 -3.050) 5.033 3.064 ( 0.971 -2.058 0.674) 2.374 3.231 ( 0.813 1.050 0.975) 1.647 3.494 ( -10.075 -0.599 -6.984) 12.274 3.603 ( -8.249 -0.294 1.041) 8.319 3.895 ( -5.858 0.548 2.663) 6.458 4.127 ( -1.693 2.814 -10.038) 10.562 4.640 ( -4.725 -0.647 -9.140) 10.309 4.914 ( -5.246 -2.387 3.169) 6.577 5.001 ( -16.038 -8.969 11.990) 21.942 5.240 ( 0.869 -1.315 6.324) 6.517 5.333 ( -3.133 0.894 -4.609) 5.644 5.515 ( -5.334 -0.205 3.539) 6.405 5.932 ( 7.410 -0.729 -3.915) 8.412 6.174 ( -2.003 1.063 15.536) 15.700 6.871 ( 5.221 -1.744 2.070) 5.881 7.128 ( 5.999 1.203 -2.841) 6.746 7.599 ( -10.720 -3.429 -11.928) 16.400 7.703 ( -1.026 1.024 -13.030) 13.110 8.359 ( -10.723 0.404 15.149) 18.565 9.061 ( 9.768 3.710 -8.142) 13.246 9.572 ( 10.427 -2.039 2.725) 10.968 9.800 ( 11.253 -0.678 -1.516) 11.375 12.287 ( -0.706 0.043 -1.363) 1.535 12.473 ( 0.856 -0.069 2.002) 2.178 13.913 ( -3.606 -2.419 -3.944) 5.866 14.191 ( -1.052 -0.095 -3.003) 3.183 14.312 ( 8.754 9.885 0.715) 13.224 14.744 ( 4.338 4.542 8.231) 10.353 15.218 ( -1.156 -0.516 -4.060) 4.252 15.313 ( -10.111 1.588 4.654) 11.243 16.120 ( -9.891 -0.067 3.856) 10.616 16.533 ( -3.070 0.086 -0.230) 3.079 16.879 ( 7.034 -3.385 -3.738) 8.655 17.079 ( 7.176 -7.729 2.754) 10.900 ======================= Grid point 92 (33/140) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -8.460 15.964 3.905) 18.485 0.818 ( -12.925 5.159 11.300) 17.927 1.224 ( -0.358 3.729 -2.568) 4.543 1.392 ( -9.565 -0.649 3.422) 10.179 1.516 ( -14.495 5.037 5.209) 16.206 1.722 ( 6.611 -0.085 -2.171) 6.958 1.776 ( -1.890 0.264 -2.027) 2.784 1.828 ( 1.362 0.039 -0.627) 1.500 1.951 ( 0.845 -4.500 0.860) 4.659 2.180 ( 2.352 -2.866 -1.419) 3.970 2.344 ( 2.453 -0.456 1.109) 2.731 2.473 ( 0.960 -0.096 0.554) 1.113 2.571 ( -3.144 -1.332 -1.848) 3.883 2.753 ( 1.009 6.726 -2.956) 7.416 3.078 ( -2.053 -0.813 -1.646) 2.755 3.168 ( -11.787 -0.292 3.959) 12.437 3.293 ( -9.574 -1.625 -6.382) 11.620 3.388 ( -7.268 1.248 -2.727) 7.862 3.799 ( -4.584 0.735 4.416) 6.408 4.072 ( -1.278 1.587 -4.829) 5.241 4.640 ( 0.438 -6.398 -2.377) 6.839 4.834 ( -6.710 -8.329 -3.385) 11.218 4.864 ( -4.064 -1.554 9.012) 10.007 5.220 ( -6.223 0.282 -3.569) 7.180 5.297 ( -4.263 3.381 14.967) 15.925 5.392 ( -0.609 0.606 -0.614) 1.055 6.066 ( 6.427 -0.908 -4.452) 7.871 6.144 ( -3.573 0.383 13.413) 13.886 6.966 ( 1.993 -1.699 0.643) 2.697 7.145 ( -1.494 3.860 -8.878) 9.795 7.436 ( -9.018 -9.043 -10.063) 16.259 7.635 ( -4.141 -0.671 -10.811) 11.597 8.264 ( -1.330 2.276 14.354) 14.594 9.106 ( 1.312 1.765 -7.018) 7.355 9.891 ( 18.732 -1.714 2.565) 18.984 10.007 ( 9.983 -0.596 0.078) 10.001 12.278 ( -0.023 0.005 -0.672) 0.673 12.486 ( 0.096 -0.333 0.939) 1.001 13.872 ( -2.087 -1.345 -2.950) 3.856 14.184 ( 0.818 0.698 -1.414) 1.777 14.369 ( 10.783 15.715 2.452) 19.215 14.809 ( 4.965 2.137 7.896) 9.569 15.089 ( -11.716 1.231 5.293) 12.915 15.196 ( -1.865 -0.511 -4.414) 4.819 15.923 ( -11.744 -0.541 3.647) 12.309 16.476 ( -2.444 0.712 -1.015) 2.740 17.046 ( 6.586 -5.469 -4.300) 9.580 17.284 ( 5.342 -8.432 1.755) 10.135 ======================= Grid point 93 (34/140) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -9.143 13.711 8.458) 18.524 0.559 ( -12.515 4.177 13.690) 19.012 1.005 ( -23.209 3.427 22.135) 32.255 1.206 ( 1.107 2.040 -2.796) 3.634 1.360 ( -1.403 3.489 -3.520) 5.151 1.735 ( -1.019 0.436 -0.611) 1.265 1.832 ( 5.057 0.410 -1.912) 5.422 1.851 ( 0.503 -0.711 -1.653) 1.868 1.987 ( -1.206 -3.208 2.828) 4.443 2.264 ( 3.914 -1.706 -2.456) 4.926 2.399 ( 1.287 -3.142 -0.007) 3.395 2.489 ( 0.618 0.737 -0.234) 0.989 2.565 ( 2.614 -0.062 -6.520) 7.025 2.652 ( -2.640 9.993 -3.683) 10.972 2.878 ( -14.245 0.058 4.334) 14.890 2.989 ( -6.851 0.396 0.431) 6.876 3.163 ( -4.130 -0.721 -3.213) 5.282 3.366 ( 2.820 0.144 -5.755) 6.410 3.734 ( -2.037 0.545 4.999) 5.425 4.048 ( 0.435 0.394 2.205) 2.282 4.672 ( -7.857 -14.930 10.468) 19.855 4.853 ( -0.434 2.054 8.327) 8.588 4.901 ( 4.852 -0.164 -3.666) 6.084 5.084 ( -2.573 0.647 -6.635) 7.146 5.151 ( -2.778 4.513 -0.794) 5.358 5.468 ( 3.460 -0.909 2.975) 4.653 6.052 ( -7.627 0.205 14.033) 15.973 6.187 ( 6.765 -1.118 -3.066) 7.511 6.924 ( -7.037 -2.619 -17.610) 19.144 7.053 ( -1.349 5.023 -1.454) 5.400 7.408 ( -5.938 -10.106 -5.644) 13.009 7.514 ( -6.878 -0.674 -6.416) 9.430 8.270 ( 1.007 1.911 10.509) 10.728 9.100 ( 1.045 1.137 -5.210) 5.434 10.165 ( 5.971 -0.406 1.184) 6.101 10.249 ( 14.594 -4.359 1.845) 15.342 12.284 ( 0.677 -0.025 0.200) 0.706 12.485 ( -0.730 -0.611 -0.154) 0.964 13.852 ( -0.401 -0.278 -1.510) 1.587 14.178 ( 0.430 4.093 -2.315) 4.722 14.520 ( 26.106 14.976 16.027) 34.098 14.881 ( -7.300 -0.355 5.172) 8.953 14.914 ( 2.996 0.784 8.332) 8.889 15.156 ( -1.973 0.063 -3.266) 3.817 15.728 ( -9.136 -0.131 1.153) 9.209 16.419 ( -3.082 0.625 -3.961) 5.057 17.195 ( 1.849 -8.690 -4.210) 9.832 17.385 ( -4.726 -4.915 -5.813) 8.960 ======================= Grid point 95 (35/140) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 10.794 -0.000 7.095) 12.917 0.876 ( 9.149 -0.000 14.142) 16.844 1.196 ( 0.548 -0.000 0.178) 0.576 1.346 ( 1.535 -0.000 -2.859) 3.245 1.481 ( 23.184 -0.000 8.593) 24.725 1.830 ( -4.337 0.000 2.335) 4.926 1.830 ( -2.625 0.000 -1.897) 3.239 1.931 ( 3.348 -0.000 -2.811) 4.372 1.954 ( 2.702 -0.000 4.409) 5.171 2.270 ( -0.421 0.000 -0.240) 0.484 2.324 ( -2.874 0.000 -4.172) 5.067 2.354 ( -1.793 0.000 -2.637) 3.189 2.683 ( 0.026 -0.000 1.801) 1.801 2.706 ( -3.154 0.000 -0.280) 3.167 2.972 ( 13.460 -0.000 -4.662) 14.244 3.178 ( 1.328 -0.000 -0.763) 1.531 3.321 ( -5.157 0.000 1.724) 5.437 3.479 ( 3.983 -0.000 -1.794) 4.368 3.688 ( 18.532 -0.000 -4.065) 18.973 4.436 ( 9.544 -0.000 11.971) 15.310 4.661 ( 3.991 -0.000 -5.122) 6.494 4.672 ( -1.882 0.000 -1.491) 2.401 4.933 ( -9.911 0.000 -2.341) 10.184 5.064 ( 14.561 -0.000 9.460) 17.364 5.386 ( 11.409 -0.000 7.210) 13.497 5.467 ( -0.172 0.000 -6.144) 6.146 5.934 ( -2.913 0.000 12.795) 13.122 6.204 ( -7.028 0.000 -0.250) 7.032 6.800 ( -8.299 0.000 -0.342) 8.306 7.036 ( 18.358 -0.000 -19.712) 26.937 7.553 ( 4.610 -0.000 -12.916) 13.714 7.824 ( -4.149 0.000 -3.851) 5.661 8.093 ( 1.736 -0.000 14.782) 14.884 9.189 ( 5.441 -0.000 -5.724) 7.898 9.820 ( -19.722 0.000 3.024) 19.952 9.995 ( -9.986 0.000 -0.665) 10.008 12.354 ( 1.502 -0.000 2.694) 3.085 12.405 ( -1.603 0.000 -2.704) 3.143 13.998 ( 4.236 -0.000 2.181) 4.764 14.034 ( -3.492 0.000 -4.707) 5.861 14.589 ( -9.527 0.000 -0.983) 9.578 14.784 ( -7.202 0.000 12.205) 14.171 15.058 ( -0.958 0.000 9.730) 9.777 15.414 ( 5.763 -0.000 4.626) 7.390 15.819 ( 9.373 -0.000 0.279) 9.377 16.452 ( -0.158 0.000 2.170) 2.175 16.874 ( 8.990 -0.000 -18.425) 20.502 17.208 ( -6.826 0.000 1.710) 7.037 ======================= Grid point 96 (36/140) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 9.342 -4.688 4.806) 11.504 1.064 ( 7.550 -2.717 8.014) 11.341 1.233 ( 1.954 -3.393 1.086) 4.064 1.388 ( 3.067 -0.014 -2.051) 3.690 1.710 ( -4.565 2.452 2.508) 5.757 1.759 ( -2.271 -0.841 -0.381) 2.452 1.819 ( 2.919 -0.383 0.427) 2.975 1.968 ( 3.355 5.238 1.916) 6.509 2.043 ( 7.939 -1.094 3.318) 8.674 2.202 ( -3.321 2.771 0.006) 4.325 2.302 ( -4.633 -1.799 -0.001) 4.970 2.345 ( 3.523 -0.906 -1.269) 3.853 2.641 ( -2.072 2.106 0.903) 3.090 2.701 ( -0.517 -3.944 -0.809) 4.059 3.124 ( 3.917 1.190 -2.663) 4.884 3.224 ( 1.397 -0.062 -0.001) 1.399 3.272 ( 2.567 0.008 -6.825) 7.292 3.599 ( 7.736 -0.267 -2.359) 8.092 4.011 ( 15.176 0.652 1.537) 15.268 4.473 ( -7.757 -0.798 2.633) 8.230 4.665 ( 2.124 0.721 -2.302) 3.214 4.765 ( 3.450 -0.157 0.915) 3.573 4.886 ( 9.619 0.458 0.178) 9.631 5.290 ( 8.055 0.815 2.229) 8.397 5.467 ( 1.462 0.657 -5.139) 5.383 5.669 ( 16.168 -0.374 11.373) 19.771 5.855 ( -7.134 0.310 12.125) 14.071 6.027 ( -11.453 0.091 -1.869) 11.605 6.662 ( -4.943 0.707 0.116) 4.994 7.360 ( 17.392 4.261 -13.461) 22.402 7.573 ( -13.790 0.012 -3.905) 14.333 7.612 ( 0.544 -5.628 -10.014) 11.500 8.283 ( 13.286 1.359 9.014) 16.112 9.282 ( 2.994 0.604 -1.184) 3.276 9.435 ( -19.574 -0.739 0.115) 19.589 9.799 ( -10.448 0.107 -1.815) 10.605 12.370 ( -1.482 0.335 -2.720) 3.115 12.388 ( 1.750 0.154 3.051) 3.520 13.976 ( -3.973 -3.656 -4.994) 7.355 14.095 ( 6.044 0.639 2.083) 6.424 14.426 ( -7.321 0.218 -2.419) 7.714 14.685 ( -4.225 -0.855 13.010) 13.706 15.147 ( 6.453 0.630 -0.349) 6.493 15.506 ( 2.733 -0.349 6.523) 7.081 16.001 ( 8.997 -1.244 0.736) 9.113 16.462 ( 0.585 -0.863 0.361) 1.104 16.906 ( 0.602 4.149 -10.956) 11.731 17.065 ( -8.484 0.085 2.515) 8.850 ======================= Grid point 97 (37/140) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 6.797 -6.447 2.508) 9.698 1.204 ( 2.991 -3.829 1.716) 5.153 1.350 ( 5.846 -4.238 3.553) 8.047 1.436 ( 2.333 0.931 -0.782) 2.631 1.602 ( -4.075 2.116 2.171) 5.079 1.694 ( -4.387 0.776 -1.462) 4.689 1.793 ( -1.995 1.955 1.196) 3.039 1.953 ( 0.314 4.582 0.099) 4.594 2.094 ( -5.455 3.648 0.921) 6.626 2.156 ( 1.469 3.037 1.460) 3.676 2.321 ( 4.291 -5.737 3.191) 7.842 2.433 ( 3.860 -2.081 0.433) 4.407 2.591 ( -1.634 1.822 0.353) 2.473 2.730 ( 0.084 -2.838 -1.356) 3.146 3.122 ( -1.435 2.143 0.921) 2.739 3.209 ( -0.117 1.435 2.187) 2.618 3.405 ( 9.841 -1.008 -10.597) 14.497 3.693 ( 1.298 -0.529 -3.150) 3.448 4.185 ( 2.088 2.402 -0.966) 3.326 4.310 ( -6.740 -1.642 -3.620) 7.825 4.735 ( 5.143 -0.056 2.313) 5.639 4.809 ( -0.129 -2.217 7.626) 7.943 5.122 ( 13.959 3.411 -3.898) 14.890 5.374 ( 2.221 -0.244 -2.078) 3.052 5.455 ( -4.506 -1.043 -0.086) 4.626 5.646 ( -11.770 4.019 2.966) 12.786 5.799 ( -9.544 -4.070 4.362) 11.255 6.031 ( 13.318 0.201 10.096) 16.713 6.629 ( 1.810 -0.899 0.119) 2.024 7.219 ( -15.062 0.908 5.869) 16.191 7.573 ( 5.152 -0.372 -11.497) 12.604 7.765 ( 10.195 -1.395 -15.378) 18.503 8.556 ( 17.262 3.141 3.992) 17.994 8.978 ( -23.861 -2.260 8.326) 25.373 9.436 ( 8.116 1.112 -5.974) 10.139 9.610 ( -9.236 -0.322 -1.965) 9.448 12.336 ( -1.386 0.195 -2.374) 2.756 12.423 ( 1.699 0.275 3.081) 3.529 13.934 ( -3.971 -4.453 -4.896) 7.718 14.210 ( 7.321 2.573 1.522) 7.908 14.307 ( -4.784 0.115 -2.399) 5.353 14.689 ( 2.335 0.268 9.517) 9.803 15.236 ( 4.141 1.873 -3.192) 5.553 15.537 ( -1.176 -0.376 7.545) 7.646 16.165 ( 5.580 -3.305 0.781) 6.532 16.485 ( 0.107 -1.928 -1.408) 2.390 16.837 ( -1.069 3.957 -5.599) 6.939 16.911 ( -7.663 0.522 3.243) 8.337 ======================= Grid point 98 (38/140) ======================= q-point: (-0.56 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 2.612 -5.690 0.886) 6.323 1.267 ( 0.400 -2.337 1.206) 2.660 1.443 ( -0.481 0.210 1.934) 2.004 1.495 ( 3.860 0.114 1.833) 4.275 1.528 ( -2.233 2.178 -0.429) 3.149 1.581 ( -3.122 1.929 -0.485) 3.702 1.776 ( 0.599 -0.935 2.108) 2.383 1.915 ( 0.434 3.754 -0.555) 3.819 1.950 ( -5.461 3.318 0.346) 6.400 2.151 ( 1.238 2.182 1.711) 3.037 2.450 ( 3.093 -1.827 2.958) 4.653 2.512 ( 1.354 -1.720 1.296) 2.544 2.529 ( -2.793 1.112 -0.180) 3.011 2.754 ( 1.213 -1.006 -2.484) 2.942 3.066 ( -1.889 2.030 2.662) 3.844 3.217 ( 1.492 0.563 2.791) 3.214 3.572 ( 6.986 -0.914 -7.486) 10.280 3.646 ( -5.729 -0.537 -3.647) 6.812 4.059 ( -8.121 1.556 -0.930) 8.320 4.258 ( -2.602 0.585 -8.345) 8.761 4.776 ( -4.913 0.252 -0.236) 4.925 4.830 ( -0.053 -3.543 6.704) 7.583 5.201 ( -20.791 -2.694 11.065) 23.706 5.252 ( 2.925 3.365 -2.822) 5.276 5.409 ( 0.307 0.774 -6.670) 6.722 5.480 ( -4.310 -2.183 -0.200) 4.835 5.773 ( 3.127 -3.425 -0.081) 4.638 6.192 ( 1.859 0.513 15.308) 15.429 6.732 ( 6.490 -1.007 -2.951) 7.201 7.040 ( -4.047 -1.555 6.501) 7.813 7.622 ( -2.150 -5.413 -10.096) 11.655 7.857 ( 5.595 8.113 -13.595) 16.791 8.584 ( -18.393 -2.141 11.610) 21.856 8.900 ( 19.043 3.390 -3.483) 19.654 9.469 ( -4.386 -1.215 0.046) 4.552 9.595 ( 9.388 0.004 -3.829) 10.139 12.307 ( -1.266 -0.031 -1.867) 2.256 12.454 ( 1.375 0.349 2.750) 3.094 13.898 ( -3.147 -3.429 -4.148) 6.234 14.228 ( -2.454 0.237 -3.184) 4.027 14.330 ( 7.887 3.672 2.666) 9.099 14.778 ( 7.384 4.053 6.510) 10.646 15.252 ( 0.430 2.006 -4.313) 4.776 15.486 ( -5.737 0.206 7.068) 9.105 16.235 ( -2.344 -2.112 0.571) 3.207 16.493 ( -2.005 -5.071 -2.543) 6.017 16.785 ( -2.362 1.316 1.659) 3.172 16.842 ( 2.138 -1.064 0.296) 2.406 ======================= Grid point 99 (39/140) ======================= q-point: (-0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -8.176 1.896 3.837) 9.228 1.260 ( -1.456 4.610 1.477) 5.055 1.376 ( -3.775 3.744 0.517) 5.342 1.443 ( -0.546 0.174 0.220) 0.614 1.564 ( 2.676 -1.263 -0.200) 2.966 1.601 ( -0.060 -3.486 -1.188) 3.683 1.805 ( -0.519 -1.886 3.153) 3.711 1.874 ( 0.839 2.693 -2.527) 3.787 1.905 ( 2.588 3.634 0.988) 4.570 2.156 ( 0.401 2.196 3.452) 4.111 2.408 ( -3.695 5.233 -0.771) 6.452 2.475 ( -0.766 0.547 2.262) 2.450 2.557 ( -2.123 -4.289 1.040) 4.897 2.807 ( 4.612 0.631 -4.540) 6.502 3.042 ( -0.037 -0.197 2.517) 2.525 3.244 ( 0.603 0.330 2.187) 2.292 3.482 ( -10.739 -0.552 -5.571) 12.111 3.594 ( -7.227 -0.681 0.452) 7.273 3.911 ( -6.065 0.998 2.174) 6.520 4.177 ( -1.736 2.106 -11.035) 11.368 4.607 ( -12.791 -3.410 -3.605) 13.720 4.787 ( -10.326 -6.186 -2.817) 12.362 4.928 ( -9.391 -1.750 10.984) 14.557 5.235 ( 0.253 0.637 5.598) 5.640 5.354 ( -2.950 1.160 -6.516) 7.246 5.477 ( -3.072 -3.223 3.578) 5.711 5.911 ( 7.692 -1.428 -3.136) 8.428 6.188 ( -3.101 0.245 17.032) 17.314 6.836 ( 4.089 -1.946 0.426) 4.548 7.093 ( 3.180 -4.505 1.971) 5.856 7.503 ( -13.317 -4.299 -14.345) 20.040 7.818 ( 0.665 8.469 -12.254) 14.910 8.364 ( -7.682 0.016 14.764) 16.643 9.127 ( 6.764 2.925 -7.207) 10.307 9.546 ( 13.220 -0.665 2.154) 13.410 9.785 ( 10.755 -0.844 -1.826) 10.942 12.285 ( -0.904 -0.186 -1.283) 1.581 12.476 ( 0.893 0.340 1.998) 2.214 13.871 ( -1.851 -1.876 -3.042) 4.025 14.192 ( -0.743 0.221 -1.878) 2.032 14.454 ( 9.187 4.368 2.432) 10.460 14.878 ( 8.502 9.069 4.072) 13.080 15.215 ( -2.023 0.308 -4.109) 4.590 15.342 ( -9.720 1.273 5.190) 11.092 16.118 ( -10.148 -0.167 1.655) 10.283 16.500 ( -2.309 -4.480 -3.569) 6.176 16.789 ( 0.678 -4.906 2.209) 5.422 16.962 ( 6.987 -3.763 1.545) 8.085 ======================= Grid point 100 (40/140) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -12.164 6.039 7.528) 15.527 1.096 ( -6.488 12.839 3.842) 14.889 1.313 ( 0.166 4.455 -3.006) 5.377 1.393 ( -5.552 1.230 2.481) 6.204 1.580 ( -4.689 0.223 0.648) 4.739 1.655 ( 3.381 -4.667 0.169) 5.766 1.788 ( -2.063 1.433 1.308) 2.832 1.881 ( 0.981 3.629 1.159) 3.933 1.923 ( 2.763 1.740 -1.358) 3.536 2.131 ( -0.345 0.233 0.396) 0.575 2.349 ( 0.788 0.367 1.467) 1.705 2.458 ( -1.198 -1.384 0.795) 1.996 2.546 ( -0.600 -1.003 -2.583) 2.835 2.865 ( 4.465 4.385 -5.168) 8.116 3.059 ( -0.259 -0.943 0.466) 1.083 3.159 ( -14.131 -0.604 3.027) 14.464 3.263 ( -10.353 -1.452 -5.139) 11.650 3.412 ( -6.364 1.156 -1.330) 6.603 3.816 ( -4.143 0.776 3.701) 5.609 4.110 ( -2.258 2.096 -5.227) 6.067 4.424 ( -14.846 -13.587 8.308) 21.773 4.733 ( 3.575 -2.512 -15.590) 16.190 4.856 ( -1.831 -0.465 6.770) 7.029 5.226 ( -4.972 0.495 -2.899) 5.776 5.318 ( 1.302 -0.515 11.239) 11.326 5.388 ( -7.844 -1.549 2.099) 8.266 6.048 ( 6.186 -0.888 -3.784) 7.306 6.149 ( -3.980 0.095 15.033) 15.552 6.933 ( 2.964 -2.201 0.536) 3.730 7.173 ( -0.104 -1.686 -2.457) 2.981 7.256 ( -13.122 -8.894 -11.263) 19.446 7.661 ( -8.012 4.593 -13.048) 15.986 8.322 ( 1.200 3.558 13.417) 13.932 9.146 ( 1.219 2.272 -4.958) 5.588 9.878 ( 18.857 0.349 0.942) 18.884 9.992 ( 10.162 -0.974 -0.222) 10.211 12.275 ( -0.220 -0.274 -0.604) 0.698 12.486 ( 0.221 0.270 0.736) 0.814 13.856 ( -0.574 -0.475 -1.805) 1.953 14.191 ( 1.049 0.314 -0.016) 1.095 14.598 ( 11.081 5.464 2.445) 12.595 14.925 ( 6.510 10.516 2.341) 12.588 15.122 ( -10.713 2.225 4.865) 11.975 15.185 ( -1.918 -0.576 -4.441) 4.872 15.912 ( -11.673 -0.392 1.916) 11.835 16.480 ( -1.977 -1.138 -4.080) 4.675 16.879 ( -0.236 -10.564 0.369) 10.573 17.147 ( 7.077 -5.199 2.996) 9.278 ======================= Grid point 101 (41/140) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -11.108 7.393 10.015) 16.683 0.815 ( -9.841 14.215 7.997) 19.049 1.149 ( -12.138 11.261 12.410) 20.692 1.298 ( 2.195 6.863 -2.526) 7.635 1.452 ( -2.974 5.686 -0.746) 6.460 1.729 ( -0.681 -0.883 0.204) 1.133 1.770 ( 0.963 -4.538 0.485) 4.664 1.860 ( -0.402 -0.260 0.033) 0.480 1.956 ( 1.160 0.902 -2.094) 2.558 2.179 ( 2.161 -6.031 -1.301) 6.538 2.374 ( -0.154 -0.395 -0.568) 0.708 2.475 ( 1.287 -1.961 -0.417) 2.383 2.564 ( 2.618 -0.034 -6.507) 7.014 2.816 ( -11.374 3.033 -2.487) 12.031 2.910 ( 1.323 4.696 -0.966) 4.974 3.006 ( -5.768 1.606 -1.283) 6.123 3.140 ( -2.811 -1.512 -2.374) 3.978 3.373 ( 1.736 0.588 -4.364) 4.734 3.751 ( -2.063 1.083 4.079) 4.698 4.063 ( -0.698 1.118 1.447) 1.957 4.359 ( -9.037 -16.375 11.291) 21.847 4.826 ( 2.314 -2.349 0.830) 3.401 4.918 ( 7.377 0.569 -4.341) 8.579 5.099 ( -6.309 0.726 -3.232) 7.126 5.207 ( -6.948 0.425 4.870) 8.495 5.432 ( 3.410 -2.633 3.403) 5.490 6.059 ( -7.473 0.460 14.660) 16.461 6.156 ( 4.802 -1.776 -3.234) 6.055 6.881 ( -8.096 -1.674 -16.218) 18.203 7.153 ( 2.287 0.697 3.314) 4.087 7.231 ( -4.004 -5.148 -6.163) 8.973 7.440 ( -10.157 -3.928 -6.447) 12.656 8.335 ( 1.706 4.676 10.322) 11.460 9.140 ( 1.527 2.839 -4.150) 5.255 10.148 ( 6.608 -1.222 1.535) 6.893 10.193 ( 11.659 -0.611 1.435) 11.763 12.281 ( 0.510 -0.321 0.211) 0.639 12.479 ( -0.704 0.127 -0.849) 1.110 13.855 ( 0.821 0.537 -0.326) 1.034 14.219 ( 2.035 0.920 1.148) 2.511 14.783 ( 12.375 3.027 5.475) 13.867 14.917 ( -7.110 3.015 3.536) 8.494 14.962 ( 8.130 8.117 0.603) 11.504 15.167 ( 0.875 1.656 -2.369) 3.020 15.727 ( -7.395 0.303 -0.169) 7.403 16.434 ( -2.726 0.431 -6.585) 7.140 16.937 ( -8.148 -14.101 0.170) 16.287 17.302 ( 3.494 -3.865 2.230) 5.667 ======================= Grid point 102 (42/140) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -0.370 8.793 12.455) 15.251 0.557 ( -2.542 14.926 12.370) 19.552 0.907 ( 0.086 13.892 26.191) 29.647 1.270 ( 1.558 6.233 -2.735) 6.983 1.383 ( -0.045 3.503 -4.782) 5.928 1.750 ( 2.649 -0.486 2.468) 3.653 1.817 ( -0.001 -3.220 -1.940) 3.760 1.869 ( 0.067 -2.986 0.769) 3.085 1.943 ( -1.710 0.314 -0.421) 1.789 2.277 ( 1.194 -4.710 -1.961) 5.240 2.342 ( -3.731 -3.239 -4.698) 6.818 2.489 ( -0.865 -1.002 -1.277) 1.839 2.610 ( 1.302 1.750 -4.599) 5.090 2.671 ( 1.268 -1.171 -1.628) 2.373 2.860 ( -4.487 6.011 -2.275) 7.839 2.966 ( 10.152 5.093 -6.350) 13.013 3.172 ( 5.254 1.381 -0.521) 5.457 3.411 ( 2.726 -0.145 -4.698) 5.433 3.714 ( -4.552 0.049 3.615) 5.813 4.080 ( 2.676 -1.614 8.933) 9.464 4.434 ( 0.886 -12.410 8.294) 14.953 4.842 ( -4.214 0.454 4.433) 6.133 4.893 ( -8.077 0.570 9.426) 12.426 5.070 ( 3.434 0.169 -0.336) 3.455 5.189 ( 3.382 -0.669 -16.266) 16.628 5.493 ( 0.463 -1.441 -0.467) 1.584 5.946 ( -5.423 0.151 17.176) 18.013 6.276 ( 3.879 -5.535 -1.754) 6.983 6.758 ( -3.343 -3.940 -18.054) 18.779 7.015 ( -6.562 4.797 -8.408) 11.694 7.236 ( 4.133 0.741 1.583) 4.488 7.485 ( 5.715 -6.930 4.054) 9.855 8.308 ( -2.226 3.880 8.724) 9.804 9.129 ( 0.484 2.298 -4.263) 4.868 10.214 ( -0.563 -0.833 1.479) 1.788 10.312 ( -2.747 -2.411 2.984) 4.718 12.299 ( 0.951 -0.309 1.147) 1.521 12.457 ( -1.405 -0.446 -1.691) 2.243 13.879 ( 2.363 0.773 1.132) 2.732 14.216 ( -0.316 4.451 -2.131) 4.945 14.779 ( -2.907 0.102 3.450) 4.513 14.917 ( -4.859 -1.689 6.493) 8.284 15.133 ( 6.446 -1.895 -1.437) 6.870 15.356 ( 23.731 -2.756 3.401) 24.132 15.691 ( 8.984 3.110 -4.478) 10.509 16.307 ( -9.425 3.586 -16.286) 19.155 16.750 ( -22.639 -6.499 9.296) 25.322 17.343 ( -0.519 0.312 0.169) 0.629 ======================= Grid point 105 (43/140) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 7.345 -0.000 3.580) 8.171 1.163 ( 3.354 -0.000 1.381) 3.627 1.305 ( 7.144 -0.000 3.951) 8.164 1.445 ( 2.508 -0.000 -0.408) 2.542 1.619 ( -4.791 0.000 3.730) 6.072 1.699 ( -3.714 0.000 -1.980) 4.208 1.822 ( -1.449 0.000 -0.998) 1.759 2.008 ( -0.730 0.000 0.403) 0.834 2.155 ( -7.791 0.000 1.655) 7.965 2.179 ( -0.277 0.000 -0.090) 0.291 2.254 ( 9.736 -0.000 4.100) 10.564 2.397 ( 2.311 -0.000 -1.188) 2.598 2.620 ( -1.808 0.000 3.005) 3.507 2.697 ( 2.198 -0.000 -2.711) 3.490 3.144 ( -1.299 0.000 0.393) 1.357 3.224 ( -0.599 0.000 2.531) 2.600 3.394 ( 10.124 -0.000 -10.874) 14.858 3.687 ( 1.383 -0.000 -3.387) 3.658 4.221 ( 6.257 -0.000 -1.038) 6.343 4.279 ( -10.808 0.000 -2.218) 11.033 4.738 ( 4.934 -0.000 0.819) 5.002 4.782 ( -0.025 0.000 8.686) 8.686 5.163 ( 14.893 -0.000 -6.165) 16.119 5.369 ( 1.123 -0.000 -0.553) 1.251 5.443 ( -6.321 0.000 2.493) 6.795 5.717 ( -6.864 0.000 5.536) 8.818 5.727 ( -15.807 0.000 -2.641) 16.026 6.034 ( 14.323 -0.000 11.666) 18.473 6.620 ( 1.091 -0.000 1.104) 1.552 7.224 ( -16.188 0.000 4.918) 16.919 7.563 ( -0.515 0.000 -6.904) 6.923 7.759 ( 18.402 -0.000 -19.867) 27.080 8.590 ( 17.690 -0.000 3.434) 18.020 8.953 ( -24.654 0.000 9.388) 26.381 9.448 ( 7.905 -0.000 -6.527) 10.251 9.607 ( -9.709 0.000 -1.953) 9.903 12.338 ( -1.551 0.000 -2.435) 2.887 12.426 ( 1.706 -0.000 3.139) 3.573 13.887 ( -2.841 0.000 -4.140) 5.021 14.237 ( 7.753 -0.000 2.383) 8.111 14.308 ( -4.979 0.000 -2.660) 5.645 14.692 ( 3.685 -0.000 8.951) 9.680 15.257 ( 4.584 -0.000 -3.039) 5.500 15.532 ( -1.155 0.000 8.033) 8.115 16.128 ( 4.981 -0.000 0.722) 5.033 16.466 ( -0.241 0.000 -1.712) 1.728 16.879 ( -2.863 0.000 -6.126) 6.762 16.915 ( -7.676 0.000 3.219) 8.324 ======================= Grid point 106 (44/140) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 4.237 -3.089 1.693) 5.510 1.213 ( 1.167 -1.955 0.316) 2.299 1.449 ( 0.814 0.518 2.969) 3.122 1.469 ( 4.581 -1.641 2.351) 5.404 1.568 ( -0.680 1.137 2.065) 2.453 1.609 ( -5.016 0.733 -2.143) 5.504 1.797 ( 0.094 1.539 -0.073) 1.544 1.975 ( -0.941 2.536 -0.302) 2.722 2.012 ( -5.261 1.585 0.123) 5.496 2.192 ( 1.487 1.400 1.060) 2.301 2.412 ( 5.221 -1.303 2.284) 5.846 2.428 ( 0.220 -3.134 0.431) 3.171 2.605 ( 0.571 3.022 2.696) 4.089 2.735 ( 1.904 -0.982 -3.603) 4.192 3.098 ( -2.955 0.961 2.238) 3.829 3.226 ( 0.634 0.324 3.473) 3.546 3.558 ( 7.258 -0.395 -7.841) 10.692 3.638 ( -5.859 -0.257 -3.304) 6.731 4.085 ( -8.891 0.917 -0.387) 8.946 4.254 ( -1.595 -0.524 -8.249) 8.418 4.760 ( -5.654 -1.064 4.440) 7.267 4.802 ( 0.011 -0.116 1.448) 1.453 5.158 ( -20.437 -1.252 11.365) 23.418 5.329 ( -0.020 3.945 -4.270) 5.814 5.396 ( 2.561 -1.592 -5.749) 6.492 5.456 ( -9.204 -0.987 -0.744) 9.286 5.718 ( 5.348 -1.706 -1.765) 5.884 6.199 ( 0.947 0.157 16.551) 16.578 6.715 ( 6.840 -0.553 -1.440) 7.011 7.010 ( -7.270 -1.025 5.548) 9.202 7.553 ( -0.880 -1.792 -9.519) 9.726 7.979 ( 8.839 3.653 -15.485) 18.200 8.548 ( -19.345 -1.202 13.238) 23.472 8.946 ( 19.817 1.221 -3.391) 20.142 9.454 ( -5.252 -0.398 -0.035) 5.267 9.596 ( 8.911 0.061 -4.269) 9.881 12.307 ( -1.451 -0.024 -1.919) 2.406 12.459 ( 1.420 0.179 2.775) 3.123 13.850 ( -1.460 -1.334 -2.965) 3.564 14.233 ( -2.666 0.153 -2.179) 3.446 14.374 ( 6.902 1.002 3.564) 7.832 14.841 ( 11.340 1.922 3.973) 12.169 15.294 ( 0.824 1.766 -4.606) 5.001 15.483 ( -5.644 -0.281 8.689) 10.365 16.184 ( -0.442 -2.225 0.060) 2.269 16.422 ( -5.130 -1.887 -3.232) 6.350 16.798 ( -5.294 0.172 4.326) 6.839 16.843 ( 1.373 0.467 -2.557) 2.939 ======================= Grid point 107 (45/140) ======================= q-point: (-0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -2.491 -2.467 1.424) 3.785 1.246 ( -0.353 -2.932 0.756) 3.049 1.411 ( -2.146 0.877 3.936) 4.568 1.486 ( -3.886 2.217 -2.942) 5.355 1.555 ( 0.174 -1.494 1.772) 2.324 1.580 ( 1.268 1.406 2.386) 3.046 1.799 ( 1.524 1.373 1.407) 2.487 1.934 ( -1.282 2.950 -3.274) 4.590 1.968 ( 3.898 2.627 0.017) 4.701 2.206 ( 1.648 1.558 3.205) 3.927 2.451 ( 0.080 -1.711 0.011) 1.713 2.486 ( -0.950 0.201 0.910) 1.331 2.551 ( -1.469 5.430 1.938) 5.950 2.798 ( 4.930 -1.372 -4.750) 6.982 3.046 ( -1.711 0.305 2.840) 3.329 3.245 ( 0.111 -0.168 3.238) 3.244 3.475 ( -10.950 -0.209 -3.769) 11.582 3.578 ( -6.696 -0.923 -0.646) 6.790 3.927 ( -7.374 0.615 3.149) 8.042 4.201 ( -1.017 0.424 -12.151) 12.200 4.524 ( -22.034 -3.852 2.982) 22.566 4.731 ( -5.330 -0.707 -10.736) 12.007 4.895 ( -8.160 -1.560 10.328) 13.255 5.255 ( -1.679 1.118 4.818) 5.223 5.374 ( -3.483 0.776 -6.356) 7.289 5.413 ( -2.537 -2.762 2.476) 4.494 5.882 ( 9.020 -1.461 -3.093) 9.647 6.186 ( -3.574 -0.218 18.050) 18.401 6.800 ( 1.603 -1.647 0.192) 2.306 6.993 ( 0.363 -4.647 4.528) 6.498 7.454 ( -10.879 -1.107 -15.325) 18.827 7.972 ( -1.059 6.637 -12.752) 14.415 8.357 ( -4.209 -0.604 15.434) 16.010 9.169 ( 4.354 1.431 -6.373) 7.850 9.543 ( 16.233 0.218 1.012) 16.266 9.770 ( 10.096 -0.610 -2.054) 10.321 12.281 ( -1.053 -0.185 -1.294) 1.679 12.483 ( 0.985 0.366 1.913) 2.183 13.843 ( -0.212 -0.951 -1.513) 1.800 14.197 ( -0.685 0.269 -1.059) 1.289 14.496 ( 6.663 0.675 4.379) 8.002 15.043 ( 13.086 6.497 0.443) 14.617 15.242 ( -3.037 2.851 -4.128) 5.864 15.356 ( -9.074 0.141 6.305) 11.050 16.116 ( -8.526 0.109 -0.278) 8.531 16.362 ( -3.973 -8.160 -5.114) 10.417 16.734 ( -2.871 -1.063 6.178) 6.895 16.920 ( 6.195 -1.115 -0.391) 6.306 ======================= Grid point 108 (46/140) ======================= q-point: (-0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -9.306 3.687 5.181) 11.271 1.214 ( -6.828 -0.019 4.302) 8.070 1.369 ( -1.038 2.105 -2.319) 3.299 1.439 ( 0.456 1.681 0.195) 1.753 1.544 ( -1.173 -1.443 1.574) 2.436 1.614 ( 2.544 -0.260 1.944) 3.212 1.827 ( 1.717 2.393 1.694) 3.398 1.879 ( -1.764 -0.838 -3.032) 3.607 2.026 ( 4.279 5.695 0.061) 7.124 2.233 ( 1.055 7.233 3.941) 8.304 2.336 ( -6.840 -0.221 1.167) 6.943 2.446 ( -1.429 0.715 -0.088) 1.601 2.536 ( 0.814 -0.189 -2.412) 2.552 2.916 ( 7.708 1.038 -7.046) 10.495 3.046 ( 0.664 -0.443 2.654) 2.772 3.146 ( -15.179 -0.701 1.712) 15.292 3.240 ( -12.038 -0.860 -3.096) 12.459 3.427 ( -5.007 0.208 -0.052) 5.011 3.817 ( -5.181 -1.012 5.362) 7.524 4.141 ( -5.804 0.323 -2.277) 6.243 4.200 ( -15.167 -7.806 2.203) 17.200 4.699 ( 4.144 -1.290 -17.332) 17.867 4.843 ( -0.817 -0.898 6.383) 6.497 5.241 ( -4.777 1.064 -0.889) 4.974 5.295 ( 0.488 -1.641 3.014) 3.466 5.340 ( -9.222 -2.880 6.800) 11.814 6.035 ( 6.816 -0.370 -3.633) 7.733 6.148 ( -4.080 -0.204 16.511) 17.008 6.862 ( 2.082 -5.414 2.371) 6.266 7.072 ( 0.357 -5.782 2.708) 6.395 7.167 ( -15.219 -1.615 -15.465) 21.758 7.781 ( -9.955 6.457 -13.186) 17.739 8.391 ( 4.450 3.302 12.394) 13.576 9.187 ( 1.941 1.849 -3.784) 4.638 9.896 ( 19.037 1.270 -0.728) 19.093 9.971 ( 10.632 -1.084 -0.568) 10.702 12.269 ( -0.344 -0.327 -0.591) 0.758 12.494 ( 0.376 0.507 0.503) 0.807 13.852 ( 0.744 0.045 -0.011) 0.746 14.198 ( 1.122 0.405 0.770) 1.419 14.628 ( 6.743 -0.581 4.950) 8.385 15.108 ( -4.865 5.060 4.731) 8.465 15.175 ( -4.881 -0.204 -3.739) 6.152 15.202 ( 4.138 7.328 -1.913) 8.630 15.917 ( -10.454 1.245 -0.387) 10.535 16.391 ( -1.582 -8.488 -9.194) 12.613 16.726 ( -2.157 -4.198 7.520) 8.879 17.072 ( 7.343 -2.890 1.895) 8.116 ======================= Grid point 109 (47/140) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -8.023 8.031 7.789) 13.767 1.000 ( -12.786 5.852 11.665) 18.270 1.321 ( -0.838 4.308 -2.814) 5.213 1.437 ( 3.051 6.424 -0.347) 7.121 1.536 ( -1.515 0.983 1.434) 2.306 1.675 ( 1.263 -3.382 2.240) 4.249 1.781 ( -0.937 4.197 1.435) 4.534 1.881 ( -2.949 3.080 0.396) 4.282 1.984 ( 1.151 3.769 -0.483) 3.971 2.104 ( -2.485 -0.191 0.524) 2.547 2.357 ( -2.391 -1.787 -0.494) 3.026 2.418 ( 0.581 -3.475 -1.400) 3.792 2.564 ( 2.522 0.018 -6.227) 6.718 2.826 ( -15.582 -0.141 1.517) 15.656 2.978 ( -4.576 1.358 1.074) 4.893 3.064 ( 7.286 4.061 -9.477) 12.625 3.112 ( -0.525 -1.193 -0.283) 1.334 3.385 ( 0.176 0.551 -2.774) 2.834 3.762 ( -2.793 -0.670 3.198) 4.298 4.058 ( -9.932 -10.352 3.553) 14.779 4.095 ( 0.776 -1.629 7.467) 7.682 4.787 ( 2.915 -1.590 -2.640) 4.242 4.917 ( 7.275 -0.554 -1.790) 7.512 5.108 ( -6.579 0.267 -4.078) 7.745 5.178 ( -9.726 -2.820 3.706) 10.783 5.377 ( 3.184 -2.809 5.863) 7.239 6.065 ( -7.537 0.011 14.736) 16.551 6.133 ( 3.973 -0.319 -2.612) 4.766 6.851 ( -12.624 -2.029 -17.881) 21.982 7.008 ( 3.716 -9.701 3.876) 11.088 7.189 ( 4.195 -3.242 1.682) 5.562 7.475 ( -13.043 6.162 -11.233) 18.283 8.439 ( 2.947 5.763 9.397) 11.411 9.199 ( 2.170 3.094 -3.543) 5.180 10.126 ( 6.556 -1.018 1.362) 6.773 10.205 ( 12.095 1.267 -0.738) 12.184 12.273 ( 0.410 -0.423 0.197) 0.621 12.487 ( -0.550 0.571 -1.311) 1.532 13.870 ( 1.666 0.980 1.450) 2.416 14.233 ( 2.614 0.605 2.891) 3.945 14.761 ( 3.914 -2.727 5.792) 7.503 14.945 ( -8.000 1.039 6.620) 10.436 15.080 ( -0.379 2.213 -6.512) 6.888 15.244 ( 4.701 5.319 -1.553) 7.267 15.748 ( -4.780 1.977 -2.013) 5.550 16.406 ( -2.019 -4.115 -13.212) 13.984 16.734 ( -4.649 -6.337 7.241) 10.687 17.228 ( 4.858 -3.682 3.339) 6.950 ======================= Grid point 110 (48/140) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 0.687 11.271 9.055) 14.475 0.773 ( -4.397 8.287 17.848) 20.164 1.232 ( 1.659 14.248 4.048) 14.905 1.417 ( 1.810 7.463 -0.099) 7.680 1.466 ( -1.379 5.764 -0.937) 6.000 1.728 ( 1.557 -2.440 1.577) 3.297 1.770 ( 2.349 -0.203 0.711) 2.463 1.802 ( -2.398 -1.287 2.524) 3.712 1.984 ( -0.334 3.313 -2.541) 4.189 2.149 ( 1.699 -7.573 -0.297) 7.767 2.291 ( -4.131 -2.378 -4.671) 6.674 2.452 ( -1.779 -2.895 -2.492) 4.214 2.620 ( 4.170 -0.267 -5.359) 6.796 2.653 ( -1.786 -0.402 -0.173) 1.839 2.892 ( -3.141 -0.102 2.077) 3.767 3.068 ( 1.590 3.282 -5.825) 6.872 3.221 ( 8.738 3.683 -4.955) 10.699 3.408 ( 2.538 -0.303 -3.315) 4.186 3.700 ( -7.480 -2.073 0.463) 7.776 4.034 ( 1.582 -3.531 9.396) 10.162 4.246 ( 8.389 -6.686 7.144) 12.889 4.797 ( -4.635 -2.502 7.850) 9.453 4.924 ( -8.221 0.607 9.121) 12.294 5.075 ( 5.357 0.297 -0.005) 5.366 5.154 ( 3.464 -2.585 -15.613) 16.200 5.453 ( 1.104 -2.566 0.361) 2.817 5.946 ( -6.486 -0.192 17.241) 18.422 6.193 ( 1.502 -2.880 -2.203) 3.925 6.677 ( -5.680 -4.483 -17.532) 18.967 7.084 ( -6.886 0.878 -8.763) 11.179 7.299 ( 6.270 1.742 2.713) 7.051 7.321 ( 7.001 -4.803 0.134) 8.492 8.408 ( -1.731 6.272 8.555) 10.748 9.186 ( 0.222 3.369 -3.909) 5.165 10.195 ( -0.573 -1.057 1.441) 1.877 10.311 ( -0.023 1.419 0.866) 1.662 12.291 ( 0.882 -0.478 1.065) 1.463 12.459 ( -1.524 0.441 -2.651) 3.090 13.900 ( 2.392 1.409 2.595) 3.800 14.273 ( 1.678 1.886 2.490) 3.546 14.772 ( -3.459 -1.079 3.743) 5.209 14.876 ( -3.932 -2.181 5.673) 7.238 15.105 ( 4.000 -1.066 -3.961) 5.729 15.323 ( 6.890 -1.082 3.005) 7.594 15.728 ( 4.493 1.210 -3.305) 5.708 16.345 ( -3.309 0.140 -19.586) 19.864 16.663 ( -8.599 -2.464 8.795) 12.545 17.311 ( -0.128 -2.936 3.001) 4.201 ======================= Grid point 111 (49/140) ======================= q-point: (-0.11 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 4.889 12.713 9.463) 16.585 0.738 ( 13.425 6.024 9.685) 17.616 1.226 ( 12.965 12.800 13.307) 22.561 1.356 ( -0.054 8.971 0.842) 9.011 1.393 ( -1.009 2.933 -3.774) 4.885 1.773 ( -0.936 -5.563 -1.057) 5.740 1.811 ( 1.514 -0.722 2.604) 3.097 1.868 ( 4.695 -2.196 2.727) 5.857 1.928 ( -0.930 2.729 -3.507) 4.540 2.224 ( -0.992 -5.286 -1.176) 5.505 2.249 ( -1.839 -1.448 -3.897) 4.546 2.436 ( -2.196 -2.896 -1.238) 3.839 2.703 ( 1.646 -1.479 -4.704) 5.199 2.726 ( 11.057 0.945 -3.057) 11.510 2.825 ( -2.492 4.319 0.572) 5.019 3.131 ( 5.855 -0.406 -0.240) 5.874 3.318 ( 5.935 1.211 -1.701) 6.291 3.451 ( 1.984 0.282 -1.484) 2.493 3.533 ( -8.131 -1.755 -3.934) 9.202 4.192 ( 9.215 -1.983 12.998) 16.056 4.526 ( 12.157 -4.464 -0.593) 12.964 4.718 ( -5.230 -1.265 4.149) 6.795 4.829 ( -0.532 -0.058 11.055) 11.068 5.131 ( -5.512 -0.092 -9.230) 10.751 5.214 ( 8.424 1.071 3.480) 9.177 5.472 ( -0.153 -1.485 -5.912) 6.097 5.913 ( -1.361 -1.296 17.119) 17.222 6.229 ( -1.756 -4.300 -2.012) 5.062 6.677 ( 2.179 -6.139 -13.310) 14.819 6.955 ( -1.457 0.958 -9.494) 9.653 7.465 ( 12.692 4.616 -5.322) 14.516 7.563 ( 9.917 -8.852 1.224) 13.349 8.280 ( -7.085 5.740 9.702) 13.315 9.147 ( 0.215 2.119 -3.703) 4.271 10.125 ( -8.691 -0.600 1.099) 8.781 10.184 ( -10.502 1.848 1.371) 10.751 12.317 ( 1.203 -0.469 1.911) 2.307 12.422 ( -1.613 -0.197 -2.736) 3.183 13.938 ( 2.452 0.920 2.922) 3.924 14.243 ( -1.431 5.127 -1.859) 5.638 14.728 ( -6.773 -2.458 1.672) 7.397 14.814 ( -0.184 0.605 1.634) 1.752 15.181 ( -1.170 -3.083 1.234) 3.521 15.421 ( -3.024 -0.118 12.121) 12.493 15.734 ( -0.524 2.814 -1.045) 3.047 16.400 ( 13.855 -2.269 -19.883) 24.340 16.563 ( -1.698 -0.822 4.132) 4.543 17.295 ( -4.132 -1.707 2.273) 5.016 ======================= Grid point 115 (50/140) ======================= q-point: (-0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.468 0.000 1.342) 1.421 1.213 ( -0.372 0.000 0.620) 0.724 1.420 ( -1.213 0.000 3.502) 3.706 1.506 ( -5.515 0.000 -3.606) 6.589 1.540 ( 0.454 -0.000 3.536) 3.565 1.594 ( 1.388 -0.000 3.069) 3.369 1.821 ( 1.800 -0.000 0.526) 1.875 1.963 ( -1.991 0.000 -1.875) 2.735 2.001 ( 3.962 -0.000 -0.820) 4.046 2.209 ( -0.536 0.000 2.472) 2.529 2.434 ( 3.550 -0.000 -1.208) 3.750 2.486 ( 1.303 -0.000 0.962) 1.620 2.631 ( -1.633 0.000 3.689) 4.035 2.772 ( 4.509 -0.000 -5.509) 7.120 3.049 ( -2.497 0.000 2.849) 3.788 3.242 ( -0.340 0.000 3.492) 3.509 3.473 ( -10.898 0.000 -2.750) 11.240 3.567 ( -6.758 0.000 -1.304) 6.883 3.933 ( -8.401 0.000 4.013) 9.311 4.203 ( -0.498 0.000 -12.527) 12.537 4.486 ( -23.369 0.000 3.183) 23.585 4.728 ( -4.853 0.000 -12.374) 13.292 4.878 ( -7.940 0.000 10.527) 13.186 5.268 ( -2.907 0.000 4.337) 5.222 5.376 ( -3.208 0.000 4.252) 5.327 5.391 ( -2.804 0.000 -8.186) 8.653 5.866 ( 9.891 -0.000 -3.405) 10.461 6.184 ( -3.705 0.000 18.430) 18.798 6.782 ( -0.097 0.000 0.704) 0.711 6.946 ( -0.066 0.000 5.014) 5.015 7.446 ( -9.926 0.000 -15.509) 18.414 8.041 ( -2.186 0.000 -13.951) 14.121 8.349 ( -2.294 0.000 16.647) 16.804 9.182 ( 3.524 -0.000 -6.054) 7.005 9.547 ( 17.447 -0.000 0.450) 17.453 9.764 ( 9.731 -0.000 -2.120) 9.959 12.279 ( -1.106 0.000 -1.314) 1.717 12.487 ( 1.022 -0.000 1.862) 2.123 13.834 ( 0.447 -0.000 -0.736) 0.861 14.200 ( -0.673 0.000 -0.724) 0.989 14.500 ( 5.768 -0.000 4.665) 7.418 15.101 ( 12.324 -0.000 -1.056) 12.369 15.293 ( -0.196 0.000 -5.900) 5.903 15.349 ( -9.808 0.000 9.330) 13.536 16.121 ( -4.995 0.000 -1.021) 5.099 16.266 ( -8.067 0.000 -5.065) 9.525 16.726 ( -3.343 0.000 6.462) 7.275 16.910 ( 5.578 -0.000 -0.837) 5.640 ======================= Grid point 117 (51/140) ======================= q-point: (-0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -6.113 0.148 4.839) 7.798 1.186 ( -4.139 -1.257 1.444) 4.560 1.402 ( -2.873 1.095 -2.364) 3.878 1.447 ( 2.618 0.217 0.950) 2.794 1.530 ( -1.115 -0.646 3.254) 3.500 1.612 ( -0.595 -0.290 4.810) 4.855 1.865 ( 3.321 1.796 0.076) 3.776 1.898 ( -3.252 1.242 -0.980) 3.617 2.099 ( 5.711 2.136 -0.963) 6.173 2.221 ( 0.558 -3.077 0.820) 3.233 2.443 ( -5.255 3.359 -0.146) 6.239 2.485 ( -0.704 3.432 0.503) 3.540 2.540 ( -2.659 1.093 0.400) 2.903 2.913 ( 10.663 -0.857 -8.220) 13.491 3.040 ( 1.013 -0.155 3.610) 3.753 3.134 ( -14.632 -0.428 1.317) 14.698 3.231 ( -13.746 -0.149 -2.165) 13.917 3.419 ( -4.293 -0.697 0.881) 4.437 3.782 ( -9.208 -1.640 9.377) 13.244 4.088 ( -17.575 -1.824 3.016) 17.925 4.173 ( -2.342 0.381 -8.479) 8.805 4.682 ( 3.574 -0.485 -17.610) 17.976 4.828 ( -0.055 -0.493 6.591) 6.610 5.262 ( -0.160 -0.220 2.740) 2.754 5.266 ( -8.107 0.422 -1.195) 8.206 5.295 ( -6.934 -1.805 5.856) 9.254 6.033 ( 8.075 0.029 -4.027) 9.024 6.144 ( -4.047 -0.172 16.990) 17.466 6.762 ( -2.369 -3.464 4.795) 6.372 7.007 ( 4.215 -1.429 3.140) 5.447 7.151 ( -16.627 -0.313 -16.090) 23.139 7.873 ( -11.134 2.623 -13.049) 17.353 8.438 ( 6.807 1.360 11.804) 13.694 9.213 ( 2.634 0.723 -3.371) 4.339 9.919 ( 19.293 1.001 -1.949) 19.417 9.952 ( 10.587 -0.880 -0.445) 10.633 12.264 ( -0.387 -0.138 -0.602) 0.729 12.502 ( 0.443 0.239 0.336) 0.605 13.854 ( 1.506 0.122 1.541) 2.158 14.204 ( 1.170 0.210 1.376) 1.818 14.611 ( 5.147 -0.639 4.591) 6.927 15.153 ( -9.900 1.070 6.046) 11.649 15.168 ( -4.256 -0.388 -2.871) 5.149 15.335 ( 4.753 4.205 -3.054) 7.043 15.969 ( -8.217 3.787 -1.783) 9.222 16.208 ( -0.752 -8.210 -10.265) 13.166 16.692 ( -1.932 -0.404 8.156) 8.392 17.034 ( 6.817 -0.994 1.457) 7.042 ======================= Grid point 118 (52/140) ======================= q-point: (-0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -5.006 4.016 8.554) 10.694 1.065 ( -8.972 2.062 6.126) 11.058 1.365 ( -0.142 1.389 -1.880) 2.342 1.487 ( 1.730 -0.074 1.644) 2.388 1.548 ( 1.450 0.764 -0.086) 1.641 1.595 ( -3.571 -4.221 5.637) 7.896 1.828 ( -1.602 0.222 -0.704) 1.764 1.919 ( 4.111 3.236 -0.734) 5.283 2.130 ( 0.265 2.768 -0.451) 2.817 2.194 ( -7.058 8.384 2.286) 11.195 2.306 ( -0.399 -0.155 1.237) 1.309 2.375 ( -4.897 -0.972 -2.254) 5.478 2.564 ( 2.391 -0.044 -5.979) 6.439 2.827 ( -14.678 0.174 2.114) 14.830 2.986 ( -8.880 -0.110 1.049) 8.942 3.098 ( 1.273 -0.349 2.290) 2.643 3.131 ( 13.549 2.474 -12.681) 18.721 3.387 ( -1.298 -0.498 -2.391) 2.766 3.683 ( -7.338 -7.023 8.164) 13.031 3.908 ( -5.028 -2.825 4.848) 7.535 4.108 ( -1.428 0.661 1.617) 2.256 4.767 ( 4.014 -0.550 -5.555) 6.876 4.902 ( 6.237 -0.861 2.892) 6.929 5.109 ( -6.784 -0.450 -4.646) 8.234 5.123 ( -9.867 -2.031 -0.941) 10.118 5.332 ( 2.601 -1.801 7.129) 7.800 6.061 ( -7.493 -0.232 14.361) 16.200 6.142 ( 4.312 0.972 -2.312) 4.989 6.753 ( -11.616 -7.224 -5.086) 14.594 6.897 ( 0.116 -1.646 -5.201) 5.456 7.136 ( 5.872 -1.931 0.049) 6.182 7.587 ( -12.200 4.478 -10.812) 16.905 8.538 ( 4.167 4.003 8.408) 10.202 9.250 ( 2.730 2.011 -3.345) 4.764 10.109 ( 6.346 -0.672 1.221) 6.497 10.228 ( 12.657 0.970 -1.957) 12.844 12.266 ( 0.374 -0.282 0.180) 0.502 12.498 ( -0.484 0.460 -1.554) 1.692 13.889 ( 2.226 0.838 3.545) 4.269 14.244 ( 2.904 0.529 4.095) 5.048 14.708 ( 2.360 -2.373 3.891) 5.132 14.962 ( -9.261 0.624 6.764) 11.485 15.098 ( -2.073 0.320 -5.682) 6.057 15.319 ( -1.302 2.336 -0.594) 2.739 15.801 ( -4.806 3.194 -2.354) 6.232 16.291 ( 2.261 -6.382 -17.268) 18.547 16.678 ( -1.908 -0.703 9.031) 9.257 17.169 ( 4.850 -2.312 3.671) 6.507 ======================= Grid point 119 (53/140) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 2.094 10.878 6.847) 13.023 0.888 ( -4.816 3.570 15.798) 16.897 1.355 ( 1.287 1.973 -2.263) 3.266 1.510 ( -2.043 2.149 -3.013) 4.227 1.539 ( 1.294 -0.519 3.746) 3.997 1.614 ( -0.429 -6.243 4.145) 7.506 1.839 ( 2.291 2.128 0.893) 3.252 1.932 ( 1.883 9.784 -0.362) 9.970 2.022 ( -0.692 1.945 2.667) 3.373 2.092 ( -1.104 5.651 -0.624) 5.792 2.244 ( -3.165 -2.430 -4.206) 5.797 2.382 ( -0.919 -4.019 -2.867) 5.021 2.608 ( 3.630 -0.685 -6.764) 7.707 2.658 ( -2.422 0.689 2.017) 3.227 2.886 ( -1.947 -0.296 1.670) 2.582 3.102 ( -0.521 0.852 0.474) 1.105 3.297 ( 7.554 3.730 -8.621) 12.054 3.393 ( 2.242 -1.468 -3.439) 4.360 3.611 ( -9.697 -7.132 -1.071) 12.085 3.963 ( 6.224 -2.703 9.571) 11.732 4.176 ( 8.099 -1.521 8.018) 11.498 4.761 ( -4.990 -1.290 11.495) 12.598 4.918 ( -8.557 -0.787 3.142) 9.149 5.079 ( 7.419 0.177 1.435) 7.559 5.102 ( 4.097 -2.576 -16.694) 17.381 5.403 ( 1.439 -2.498 1.078) 3.078 5.939 ( -7.301 -0.458 16.991) 18.499 6.170 ( 0.099 0.463 -2.590) 2.633 6.576 ( -7.682 -6.121 -15.702) 18.521 7.044 ( 5.034 -4.443 -0.029) 6.714 7.184 ( -3.388 -3.300 -3.572) 5.927 7.435 ( 6.894 6.062 -3.773) 9.925 8.530 ( -1.253 5.910 7.676) 9.769 9.249 ( 0.081 2.930 -3.761) 4.768 10.176 ( -0.563 -0.920 1.339) 1.719 10.344 ( 0.822 1.623 -0.780) 1.979 12.282 ( 0.851 -0.405 1.002) 1.375 12.469 ( -1.565 0.580 -3.043) 3.470 13.930 ( 2.533 1.540 4.838) 5.674 14.302 ( 2.898 1.381 5.714) 6.554 14.730 ( -3.413 -3.093 2.841) 5.411 14.847 ( -3.925 -0.730 4.425) 5.960 15.089 ( 1.836 -0.588 -5.593) 5.916 15.307 ( 2.106 -0.605 2.659) 3.445 15.745 ( 1.187 0.665 -2.253) 2.632 16.320 ( -0.218 -2.181 -21.453) 21.565 16.647 ( -3.465 0.271 8.887) 9.542 17.250 ( 0.085 -3.062 4.380) 5.345 ======================= Grid point 120 (54/140) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 5.659 5.760 11.794) 14.294 0.918 ( 10.413 9.345 7.099) 15.689 1.369 ( 2.252 2.061 -0.722) 3.137 1.437 ( -1.513 1.832 -3.528) 4.254 1.552 ( 1.937 5.584 5.328) 7.957 1.666 ( -2.335 -4.358 1.443) 5.150 1.846 ( 2.463 2.488 3.175) 4.726 1.892 ( 5.779 9.721 3.224) 11.759 1.996 ( -1.517 4.322 -3.311) 5.652 2.094 ( 0.915 -7.386 1.329) 7.560 2.239 ( 0.107 -0.156 -3.662) 3.666 2.378 ( -1.487 -2.968 -3.417) 4.764 2.667 ( 1.393 -1.838 -4.356) 4.929 2.743 ( 11.034 0.962 -1.276) 11.150 2.886 ( 0.638 2.026 0.038) 2.124 3.124 ( 4.474 -0.351 0.149) 4.490 3.347 ( 1.247 1.644 1.269) 2.422 3.439 ( 0.381 -3.746 -6.127) 7.191 3.479 ( -5.062 -1.715 -1.739) 5.620 4.160 ( 9.858 -1.197 13.970) 17.140 4.444 ( 15.098 -3.888 -2.385) 15.772 4.703 ( -3.534 -0.366 8.088) 8.834 4.804 ( -3.915 -2.158 5.338) 6.963 5.125 ( -3.325 -0.716 -7.663) 8.384 5.238 ( 9.365 1.549 3.699) 10.188 5.434 ( 0.739 -2.375 -6.351) 6.821 5.885 ( -2.581 -1.444 18.446) 18.682 6.160 ( -1.195 -2.344 -3.298) 4.219 6.560 ( 1.400 -6.381 -13.585) 15.075 6.973 ( -4.360 0.896 -8.760) 9.826 7.363 ( 9.425 -9.581 3.291) 13.837 7.593 ( 14.062 6.417 -6.040) 16.594 8.404 ( -7.071 6.602 8.967) 13.190 9.197 ( -1.319 2.753 -3.480) 4.629 10.110 ( -7.490 -0.920 0.578) 7.569 10.226 ( -10.789 2.226 0.102) 11.017 12.308 ( 1.203 -0.491 1.800) 2.220 12.425 ( -1.894 0.410 -3.374) 3.891 13.962 ( 1.751 1.563 4.915) 5.447 14.319 ( 0.164 3.154 3.286) 4.558 14.673 ( -6.601 -3.265 1.755) 7.571 14.823 ( 1.042 0.372 0.984) 1.481 15.132 ( 0.250 -2.178 -4.339) 4.861 15.402 ( 3.796 -1.472 8.098) 9.064 15.778 ( 2.473 1.833 -1.621) 3.479 16.335 ( 5.945 -3.798 -20.488) 21.669 16.580 ( -3.342 1.801 7.161) 8.106 17.245 ( -4.242 -3.130 3.895) 6.555 ======================= Grid point 121 (55/140) ======================= q-point: (-0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 6.428 9.010 8.870) 14.184 1.049 ( 10.069 7.194 2.461) 12.617 1.355 ( -1.213 0.523 -0.674) 1.483 1.422 ( 0.573 4.623 -1.257) 4.825 1.583 ( 6.060 3.755 3.750) 8.055 1.677 ( 0.195 -6.934 0.825) 6.986 1.860 ( 2.195 4.388 4.674) 6.777 1.895 ( -1.908 1.108 0.385) 2.240 1.984 ( 2.111 2.548 0.952) 3.443 2.153 ( -0.471 -3.806 -1.225) 4.026 2.258 ( 3.927 -0.097 0.526) 3.964 2.374 ( -1.276 -0.902 -2.433) 2.892 2.664 ( -3.200 -1.568 0.464) 3.594 2.850 ( 0.025 4.498 -2.913) 5.359 2.962 ( 10.918 0.488 -3.500) 11.476 3.219 ( 4.022 -0.662 -4.023) 5.727 3.256 ( -5.875 -0.936 3.046) 6.684 3.487 ( 3.610 0.326 2.087) 4.183 3.645 ( 17.203 -2.944 -4.140) 17.937 4.404 ( 12.955 -1.681 10.071) 16.495 4.614 ( -0.618 -1.361 0.218) 1.511 4.658 ( -1.625 -0.229 -4.338) 4.638 4.940 ( 9.516 -4.980 -1.072) 10.793 5.007 ( -2.552 1.980 7.692) 8.343 5.375 ( 5.101 -0.090 -1.147) 5.230 5.501 ( 7.218 0.595 -1.689) 7.437 5.891 ( -2.413 -1.537 17.180) 17.417 6.133 ( -4.984 -3.000 -1.346) 5.971 6.650 ( 1.504 -4.242 -7.395) 8.657 6.980 ( 7.435 -3.402 -12.571) 14.996 7.606 ( 5.164 -7.247 -1.661) 9.052 7.757 ( 10.281 6.923 -10.092) 15.983 8.203 ( -7.518 5.016 13.216) 16.010 9.177 ( 2.463 0.567 -3.358) 4.203 9.877 ( -18.454 2.113 1.210) 18.614 9.986 ( -10.972 -0.345 -0.741) 11.003 12.342 ( 1.602 -0.492 2.452) 2.970 12.387 ( -1.463 -0.113 -3.004) 3.343 13.991 ( 1.937 0.285 3.863) 4.331 14.254 ( -2.721 5.736 -2.124) 6.695 14.556 ( -7.984 -1.517 -0.496) 8.142 14.842 ( -1.921 2.053 1.391) 3.137 15.072 ( -3.757 -0.246 1.645) 4.109 15.462 ( 2.978 1.565 8.140) 8.808 15.865 ( 9.944 2.361 -0.766) 10.250 16.504 ( 1.407 0.625 -0.553) 1.636 16.578 ( 7.310 -8.891 -10.268) 15.425 17.172 ( -6.985 -2.534 3.314) 8.136 ======================= Grid point 126 (56/140) ======================= q-point: (-0.56 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -5.150 0.000 9.907) 11.166 1.095 ( -4.345 0.000 2.062) 4.810 1.377 ( 0.191 -0.000 -1.610) 1.621 1.505 ( -3.053 0.000 1.308) 3.322 1.516 ( -0.240 0.000 4.080) 4.087 1.565 ( 0.442 -0.000 4.249) 4.272 1.833 ( -4.203 0.000 0.766) 4.272 1.959 ( 4.828 -0.000 -0.513) 4.855 2.177 ( -2.760 0.000 -0.237) 2.770 2.181 ( 1.047 -0.000 -0.655) 1.235 2.357 ( -5.121 0.000 -2.959) 5.914 2.399 ( -5.033 0.000 2.981) 5.849 2.564 ( 2.341 -0.000 -6.055) 6.492 2.829 ( -14.245 0.000 2.370) 14.441 2.983 ( -9.428 0.000 0.555) 9.444 3.095 ( 1.883 -0.000 3.375) 3.865 3.154 ( 15.623 -0.000 -14.145) 21.076 3.375 ( -2.015 0.000 -3.096) 3.694 3.599 ( -9.970 0.000 12.720) 16.162 3.890 ( -3.799 0.000 2.715) 4.669 4.114 ( -1.830 0.000 1.290) 2.239 4.762 ( 4.711 -0.000 -7.327) 8.711 4.892 ( 5.575 -0.000 5.924) 8.135 5.093 ( -7.722 0.000 -3.000) 8.285 5.114 ( -8.819 0.000 -4.965) 10.120 5.314 ( 2.359 -0.000 7.113) 7.494 6.059 ( -7.717 0.000 15.021) 16.888 6.155 ( 5.215 -0.000 -3.748) 6.422 6.672 ( -9.455 0.000 1.467) 9.568 6.886 ( -3.663 0.000 -9.410) 10.098 7.118 ( 6.745 -0.000 -0.524) 6.765 7.631 ( -12.122 0.000 -10.740) 16.195 8.578 ( 4.660 -0.000 8.017) 9.273 9.270 ( 2.956 -0.000 -3.311) 4.438 10.103 ( 6.288 -0.000 1.166) 6.395 10.238 ( 12.819 -0.000 -2.317) 13.027 12.263 ( 0.366 -0.000 0.176) 0.406 12.502 ( -0.465 0.000 -1.649) 1.713 13.898 ( 2.423 -0.000 4.547) 5.152 14.250 ( 3.047 -0.000 4.702) 5.602 14.683 ( 1.822 -0.000 2.749) 3.298 14.968 ( -9.703 0.000 6.801) 11.849 15.101 ( -2.165 0.000 -5.429) 5.845 15.340 ( -3.716 0.000 -0.014) 3.716 15.840 ( -7.212 0.000 -1.089) 7.293 16.218 ( 6.520 -0.000 -19.139) 20.219 16.674 ( -1.397 0.000 8.661) 8.773 17.146 ( 4.748 -0.000 3.766) 6.060 ======================= Grid point 128 (57/140) ======================= q-point: (-0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -2.396 -0.204 13.284) 13.500 1.033 ( 0.957 6.611 4.254) 7.919 1.386 ( 1.108 1.069 -1.289) 2.008 1.441 ( -1.848 -5.084 4.402) 6.974 1.522 ( -0.242 -0.432 4.746) 4.772 1.591 ( -1.043 1.133 -1.867) 2.420 1.803 ( 1.804 -2.936 2.287) 4.136 2.009 ( 0.500 2.235 -0.290) 2.308 2.119 ( -1.513 3.274 0.487) 3.640 2.184 ( 1.147 -1.130 -2.028) 2.589 2.297 ( -1.625 4.017 -2.104) 4.817 2.326 ( -0.668 1.933 -2.486) 3.219 2.599 ( 2.658 -0.233 -6.788) 7.294 2.671 ( -2.192 0.419 2.810) 3.588 2.885 ( -0.986 0.200 1.802) 2.064 3.111 ( -0.844 0.197 2.850) 2.979 3.316 ( -2.533 -2.699 -11.226) 11.821 3.383 ( 8.250 2.009 -7.029) 11.023 3.482 ( -6.299 -4.543 5.308) 9.408 3.938 ( 7.284 -0.391 8.751) 11.392 4.161 ( 6.633 -0.280 8.181) 10.536 4.745 ( -5.659 -0.466 12.893) 14.088 4.907 ( -8.096 -0.227 -0.376) 8.108 5.063 ( 4.180 -1.236 -17.671) 18.200 5.082 ( 8.889 0.090 2.417) 9.212 5.366 ( 1.447 -1.110 0.794) 1.989 5.931 ( -7.591 -0.238 16.978) 18.599 6.200 ( 0.606 1.875 -2.712) 3.352 6.463 ( -9.531 -4.369 -12.025) 15.954 6.973 ( 8.512 -2.041 1.820) 8.940 7.155 ( -5.116 -0.499 -6.841) 8.557 7.517 ( 5.754 2.232 -4.945) 7.909 8.614 ( -1.007 2.418 7.009) 7.482 9.290 ( 0.031 1.170 -3.742) 3.920 10.163 ( -0.573 -0.371 1.277) 1.448 10.366 ( 1.116 0.612 -1.430) 1.915 12.277 ( 0.840 -0.156 0.986) 1.305 12.478 ( -1.582 0.254 -3.222) 3.598 13.953 ( 2.686 0.712 6.744) 7.294 14.325 ( 3.808 0.761 8.240) 9.109 14.676 ( -3.655 -1.862 0.283) 4.111 14.841 ( -4.252 -0.078 4.046) 5.869 15.082 ( 0.777 -0.200 -6.346) 6.396 15.299 ( 0.558 -0.212 2.501) 2.571 15.754 ( -0.670 0.238 -1.655) 1.801 16.284 ( 2.146 -1.141 -21.668) 21.804 16.656 ( -2.060 0.383 8.328) 8.587 17.206 ( 0.083 -1.256 4.942) 5.099 ======================= Grid point 129 (58/140) ======================= q-point: (-0.33 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 3.504 1.301 10.963) 11.582 1.066 ( 7.573 5.926 4.913) 10.798 1.390 ( 0.040 1.574 -1.249) 2.009 1.447 ( -1.493 -0.805 -2.035) 2.649 1.547 ( -0.538 -1.363 3.675) 3.957 1.609 ( 3.862 -3.151 3.558) 6.124 1.895 ( 2.067 0.199 2.385) 3.163 1.974 ( -1.393 -2.663 2.333) 3.805 2.071 ( 0.994 4.623 -2.144) 5.192 2.183 ( 2.251 13.947 1.073) 14.168 2.233 ( 0.195 -0.691 -1.163) 1.367 2.328 ( 1.198 -1.836 -5.371) 5.801 2.639 ( 1.419 -1.018 -4.271) 4.614 2.763 ( 11.602 0.967 -0.310) 11.646 2.914 ( 2.402 1.316 0.720) 2.832 3.119 ( 3.200 -0.108 1.594) 3.577 3.300 ( -4.768 -8.663 -7.698) 12.531 3.375 ( -0.184 1.060 2.514) 2.734 3.480 ( 0.363 0.510 -0.924) 1.116 4.150 ( 11.731 0.069 13.436) 17.837 4.383 ( 14.028 -2.320 -2.506) 14.437 4.696 ( -1.718 -0.506 12.217) 12.348 4.767 ( -6.046 -1.203 -0.787) 6.215 5.105 ( -0.702 -1.176 -7.405) 7.531 5.270 ( 10.182 1.618 3.280) 10.819 5.387 ( 0.833 -2.278 -6.661) 7.089 5.862 ( -3.417 -0.903 19.290) 19.611 6.151 ( -2.147 1.444 -3.342) 4.227 6.428 ( 1.345 -6.973 -12.369) 14.262 6.989 ( -6.551 0.706 -7.148) 9.721 7.213 ( 10.635 -5.537 1.086) 12.039 7.697 ( 14.479 4.032 -5.667) 16.062 8.514 ( -7.445 4.392 8.104) 11.849 9.243 ( -2.228 1.891 -3.489) 4.551 10.094 ( -7.135 -0.666 0.377) 7.176 10.261 ( -10.829 1.325 -0.701) 10.932 12.300 ( 1.209 -0.300 1.753) 2.151 12.434 ( -2.075 0.377 -3.730) 4.285 13.993 ( 1.285 1.387 7.309) 7.549 14.375 ( 1.409 2.720 7.945) 8.515 14.605 ( -6.279 -3.590 0.620) 7.259 14.828 ( 2.185 0.196 0.598) 2.273 15.097 ( 0.320 -1.410 -8.636) 8.756 15.375 ( 5.094 -1.132 5.690) 7.721 15.805 ( 5.972 0.972 -2.048) 6.388 16.273 ( 0.494 -2.370 -18.452) 18.611 16.613 ( -2.733 1.407 6.948) 7.598 17.190 ( -4.197 -2.300 4.665) 6.684 ======================= Grid point 130 (59/140) ======================= q-point: (-0.22 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 7.373 2.863 7.925) 11.197 1.161 ( 5.919 3.142 1.699) 6.913 1.341 ( -2.954 -0.743 -1.851) 3.564 1.458 ( 1.665 0.394 -1.840) 2.512 1.583 ( 1.172 -1.968 2.175) 3.158 1.653 ( 0.573 1.923 3.597) 4.119 1.875 ( -1.650 0.175 4.499) 4.795 1.991 ( -2.420 4.784 -2.346) 5.852 2.056 ( 4.015 -2.653 4.244) 6.417 2.106 ( -2.755 6.006 -1.263) 6.727 2.290 ( 8.108 3.408 0.386) 8.803 2.366 ( 1.630 0.355 -3.279) 3.679 2.639 ( -2.476 -0.948 0.549) 2.708 2.913 ( 0.887 2.217 -1.818) 3.001 2.982 ( 9.314 1.273 -3.357) 9.982 3.169 ( -2.566 -3.236 -2.171) 4.666 3.260 ( 1.307 0.021 1.014) 1.654 3.494 ( 3.361 0.348 3.760) 5.055 3.575 ( 17.480 -3.917 -2.695) 18.115 4.388 ( 12.391 0.338 9.925) 15.879 4.574 ( -0.232 -2.572 -4.103) 4.848 4.666 ( -1.022 0.647 -0.667) 1.381 4.840 ( 10.976 -4.829 -1.085) 12.040 5.041 ( -3.614 1.259 7.226) 8.177 5.372 ( 3.190 -0.328 -8.301) 8.899 5.506 ( 9.871 0.102 2.030) 10.078 5.868 ( -0.930 -0.769 20.634) 20.669 6.084 ( -5.144 -1.642 -1.923) 5.732 6.565 ( 6.607 -4.862 -10.032) 12.959 6.914 ( 0.311 -3.000 -6.692) 7.340 7.470 ( 9.836 -5.766 -4.437) 12.235 7.896 ( 12.045 6.464 -8.034) 15.856 8.298 ( -11.172 4.484 11.725) 16.805 9.196 ( 0.303 1.120 -3.004) 3.220 9.911 ( -14.864 1.297 -0.052) 14.920 9.982 ( -14.271 -0.111 -0.679) 14.288 12.333 ( 1.654 -0.396 2.366) 2.913 12.389 ( -1.718 0.205 -3.425) 3.837 14.003 ( 0.391 0.950 6.020) 6.107 14.344 ( -2.019 3.836 2.137) 4.833 14.521 ( -5.890 -2.070 2.010) 6.558 14.880 ( 1.605 1.944 -3.096) 3.993 15.052 ( -4.073 -1.758 -5.478) 7.049 15.478 ( 3.542 0.035 7.389) 8.194 15.921 ( 9.729 3.439 -1.355) 10.407 16.378 ( 7.530 -8.124 -11.587) 16.030 16.562 ( -1.576 1.780 4.186) 4.814 17.119 ( -6.496 -2.661 3.827) 7.995 ======================= Grid point 131 (60/140) ======================= q-point: (-0.11 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 6.602 6.863 4.881) 10.701 1.229 ( 3.579 1.344 0.553) 3.863 1.325 ( 0.012 -3.166 -0.926) 3.299 1.474 ( 1.579 2.979 -1.028) 3.525 1.564 ( -2.417 -0.202 1.888) 3.074 1.684 ( 0.711 -1.625 -1.019) 2.046 1.835 ( -4.593 -0.698 3.519) 5.828 1.946 ( -1.003 4.279 2.507) 5.060 1.994 ( 0.161 0.037 2.698) 2.704 2.136 ( -0.495 -0.914 0.996) 1.439 2.365 ( 3.122 1.028 -0.544) 3.331 2.412 ( 5.590 3.807 0.555) 6.786 2.581 ( -3.913 -1.130 1.745) 4.431 2.885 ( -0.805 4.226 -1.648) 4.607 3.058 ( 0.442 -1.965 0.004) 2.014 3.154 ( -0.605 -2.099 -0.161) 2.190 3.317 ( 5.336 1.349 -6.972) 8.883 3.622 ( 8.150 0.711 0.350) 8.189 3.949 ( 16.297 -2.370 0.448) 16.474 4.475 ( -9.072 -1.749 -6.247) 11.152 4.618 ( 7.475 -2.560 -1.741) 8.091 4.725 ( 10.084 1.196 6.545) 12.081 4.936 ( 0.102 1.812 6.112) 6.375 5.178 ( 11.235 -4.467 -0.223) 12.092 5.426 ( 3.536 -1.049 -9.930) 10.593 5.690 ( 7.335 0.106 6.157) 9.577 5.848 ( -4.340 0.851 15.595) 16.210 6.009 ( -3.510 -0.949 4.298) 5.630 6.641 ( 0.989 0.265 -3.801) 3.936 7.074 ( 8.521 -9.723 -6.496) 14.468 7.572 ( -2.597 -0.023 -12.958) 13.216 7.940 ( 1.482 8.808 -6.300) 10.930 8.208 ( 5.706 -1.188 11.986) 13.328 9.246 ( 5.280 -0.578 -2.522) 5.880 9.509 ( -22.686 2.468 1.479) 22.868 9.784 ( -9.479 -0.685 -2.051) 9.723 12.356 ( -1.229 -0.119 -2.901) 3.153 12.375 ( 1.882 -0.401 2.796) 3.394 14.027 ( 1.776 -0.990 3.504) 4.051 14.237 ( -4.613 5.229 -3.166) 7.658 14.422 ( -5.665 0.880 -2.029) 6.081 14.753 ( -8.018 1.756 4.281) 9.258 15.096 ( 5.255 -1.658 -3.086) 6.315 15.533 ( 1.598 0.593 7.044) 7.247 16.094 ( 10.872 2.790 0.077) 11.225 16.528 ( 0.929 0.936 1.001) 1.655 16.604 ( 6.066 -7.906 -6.774) 12.050 17.015 ( -7.466 -1.971 3.258) 8.381 ======================= Grid point 137 (61/140) ======================= q-point: ( 0.56 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 3.142 -0.000 10.219) 10.691 1.127 ( 3.252 -0.000 3.128) 4.513 1.417 ( 1.748 -0.000 -0.835) 1.937 1.436 ( -0.749 0.000 -0.824) 1.113 1.535 ( 1.710 -0.000 5.468) 5.730 1.568 ( 2.136 -0.000 2.607) 3.370 1.868 ( 4.837 -0.000 3.608) 6.034 1.971 ( -3.758 0.000 0.847) 3.852 2.131 ( 0.979 -0.000 -2.139) 2.352 2.207 ( -1.983 0.000 0.837) 2.153 2.313 ( 4.348 -0.000 -5.697) 7.167 2.343 ( 0.889 -0.000 -0.865) 1.240 2.629 ( 1.458 -0.000 -4.273) 4.515 2.773 ( 11.935 -0.000 0.012) 11.935 2.937 ( 2.958 -0.000 2.037) 3.592 3.121 ( 4.089 -0.000 2.565) 4.827 3.186 ( -5.605 0.000 -8.782) 10.418 3.386 ( -1.252 0.000 3.513) 3.730 3.486 ( 0.855 -0.000 -1.436) 1.671 4.153 ( 13.045 -0.000 13.093) 18.483 4.360 ( 12.767 -0.000 -2.490) 13.007 4.688 ( -1.248 0.000 12.837) 12.897 4.758 ( -6.634 0.000 -1.981) 6.924 5.091 ( 0.389 -0.000 -8.029) 8.039 5.290 ( 11.550 -0.000 4.519) 12.402 5.360 ( -0.210 0.000 -8.116) 8.119 5.853 ( -3.719 0.000 19.525) 19.876 6.185 ( -3.483 0.000 -1.869) 3.953 6.339 ( 2.154 -0.000 -12.501) 12.686 6.997 ( -7.905 0.000 -6.221) 10.059 7.159 ( 11.813 -0.000 -0.445) 11.821 7.737 ( 14.668 -0.000 -5.732) 15.749 8.558 ( -7.659 0.000 7.756) 10.900 9.262 ( -2.537 0.000 -3.510) 4.331 10.087 ( -7.038 0.000 0.298) 7.044 10.274 ( -10.838 0.000 -0.936) 10.879 12.297 ( 1.213 -0.000 1.746) 2.126 12.437 ( -2.139 0.000 -3.856) 4.410 14.007 ( 1.137 -0.000 8.466) 8.542 14.409 ( 2.628 -0.000 11.981) 12.266 14.561 ( -6.763 0.000 -2.281) 7.137 14.830 ( 2.654 -0.000 0.500) 2.700 15.082 ( 0.050 -0.000 -10.417) 10.418 15.363 ( 5.124 -0.000 4.888) 7.081 15.815 ( 7.420 -0.000 -2.217) 7.745 16.250 ( -1.221 0.000 -17.586) 17.628 16.627 ( -2.539 0.000 6.853) 7.308 17.166 ( -4.182 0.000 4.867) 6.417 ======================= Grid point 139 (62/140) ======================= q-point: (-0.33 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 6.035 -0.924 5.925) 8.508 1.171 ( 1.574 -0.533 0.787) 1.839 1.361 ( -3.521 1.760 -1.937) 4.387 1.455 ( 1.718 -0.619 -0.652) 1.939 1.595 ( 3.425 2.373 4.482) 6.120 1.643 ( 2.043 -2.150 5.282) 6.058 1.897 ( -3.464 1.221 2.759) 4.594 1.981 ( 5.559 -2.258 2.935) 6.680 2.086 ( -3.021 4.140 -2.677) 5.782 2.152 ( -4.936 -1.876 -1.864) 5.600 2.382 ( 3.053 1.041 -3.197) 4.542 2.403 ( 8.387 5.443 0.419) 10.007 2.628 ( -1.776 -0.224 0.588) 1.884 2.946 ( 0.676 1.371 -0.339) 1.566 2.994 ( 6.408 -0.296 -4.012) 7.566 3.112 ( -0.995 -2.071 -1.291) 2.636 3.249 ( 4.624 -0.706 0.629) 4.720 3.499 ( 3.190 0.159 4.564) 5.570 3.518 ( 16.667 -1.560 -0.833) 16.761 4.412 ( 11.943 1.479 11.481) 16.632 4.526 ( 1.311 -1.966 -6.765) 7.166 4.675 ( -0.908 0.272 -0.795) 1.237 4.771 ( 9.508 -1.990 -1.251) 9.794 5.055 ( -2.622 0.330 7.291) 7.755 5.362 ( 2.265 -0.467 -13.387) 13.585 5.509 ( 10.836 0.129 4.852) 11.873 5.859 ( 0.877 -0.213 22.319) 22.337 6.074 ( -7.202 0.256 -1.626) 7.388 6.477 ( 10.609 -3.206 -10.197) 15.060 6.875 ( -4.298 -1.007 -3.546) 5.663 7.398 ( 12.700 -1.811 -6.708) 14.476 7.984 ( 12.923 2.441 -7.561) 15.170 8.361 ( -13.155 1.782 10.841) 17.140 9.213 ( -0.944 0.537 -2.960) 3.153 9.926 ( -10.008 0.311 -1.074) 10.071 9.982 ( -18.902 0.076 -0.371) 18.905 12.328 ( 1.684 -0.148 2.341) 2.887 12.392 ( -1.903 0.115 -3.710) 4.171 14.020 ( -0.536 0.593 7.974) 8.013 14.409 ( -4.084 2.841 1.272) 5.135 14.477 ( -2.006 -2.373 7.883) 8.474 14.915 ( 5.373 1.453 -3.232) 6.436 15.014 ( -6.060 -1.717 -12.562) 14.053 15.472 ( 4.501 -0.367 5.815) 7.362 15.984 ( 10.777 2.431 -1.612) 11.165 16.258 ( 4.516 -3.815 -9.366) 11.076 16.588 ( -1.970 0.721 4.514) 4.977 17.081 ( -5.995 -1.109 3.824) 7.197 ======================= Grid point 140 (63/140) ======================= q-point: (-0.22 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 2.542 -3.494 2.863) 5.183 1.214 ( 1.366 -2.438 -0.152) 2.799 1.303 ( 0.479 2.247 -0.484) 2.348 1.490 ( 1.597 -0.468 -0.477) 1.731 1.582 ( -2.118 1.064 2.705) 3.596 1.710 ( 2.068 2.097 3.050) 4.240 1.827 ( -3.528 0.880 4.453) 5.749 1.992 ( -0.927 2.429 -0.670) 2.685 2.050 ( -4.111 2.209 -1.785) 4.997 2.118 ( 3.997 -0.950 2.506) 4.812 2.384 ( -0.399 1.098 -1.428) 1.845 2.482 ( 3.228 2.798 1.198) 4.436 2.579 ( -2.275 1.099 1.804) 3.105 2.945 ( -0.848 1.741 -0.367) 1.971 3.016 ( -0.027 -2.063 1.582) 2.600 3.132 ( 0.041 -0.299 -0.929) 0.976 3.335 ( 5.882 0.501 -6.180) 8.546 3.634 ( 8.227 0.429 1.573) 8.387 3.904 ( 18.417 -2.075 0.322) 18.536 4.435 ( -8.899 -1.891 -7.403) 11.729 4.585 ( 6.498 -0.935 -1.138) 6.663 4.758 ( 9.791 1.817 8.698) 13.222 4.956 ( 4.222 0.073 2.190) 4.756 5.105 ( 8.382 -2.600 2.243) 9.058 5.403 ( 3.627 -1.243 -13.314) 13.856 5.686 ( 4.900 -0.311 5.273) 7.205 5.883 ( -3.233 2.561 12.324) 12.996 5.985 ( 0.404 -1.567 11.264) 11.380 6.653 ( 5.278 0.962 -5.180) 7.458 6.894 ( 3.516 -8.168 -3.020) 9.392 7.574 ( 3.846 0.132 -16.305) 16.753 8.085 ( 0.592 5.963 -3.173) 6.780 8.192 ( 0.855 -0.743 10.322) 10.384 9.240 ( 4.736 -0.100 -2.590) 5.399 9.551 ( -23.500 1.683 1.065) 23.584 9.770 ( -8.466 -0.681 -2.294) 8.798 12.355 ( -1.396 -0.000 -3.202) 3.493 12.368 ( 1.980 -0.242 2.700) 3.357 14.018 ( -0.054 -0.050 5.704) 5.705 14.295 ( -5.425 1.057 -2.301) 5.987 14.462 ( -1.847 2.869 5.218) 6.235 14.774 ( -11.414 0.373 -6.819) 13.301 15.066 ( 6.242 -1.307 -4.074) 7.567 15.537 ( 1.234 -0.108 6.268) 6.389 16.149 ( 9.783 2.900 0.179) 10.206 16.440 ( 8.260 -6.271 -3.721) 11.018 16.570 ( 1.042 0.836 0.972) 1.652 16.983 ( -6.013 -1.183 2.883) 6.773 ======================= Grid point 141 (64/140) ======================= q-point: (-0.11 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -2.524 -6.662 1.040) 7.200 1.254 ( 0.936 -0.784 1.495) 1.930 1.345 ( 4.323 0.678 -0.686) 4.429 1.515 ( -0.372 -1.818 0.452) 1.910 1.540 ( -1.566 1.063 2.468) 3.110 1.650 ( -3.536 4.386 -0.451) 5.652 1.779 ( -0.680 0.653 3.592) 3.713 1.941 ( -2.315 3.923 -0.652) 4.602 2.031 ( 1.883 0.674 3.571) 4.093 2.110 ( -2.572 2.406 -0.146) 3.525 2.397 ( 0.024 -2.725 0.616) 2.794 2.488 ( -0.790 -1.482 0.672) 1.809 2.559 ( 2.186 2.534 0.949) 3.479 2.874 ( -3.946 2.670 1.237) 4.923 3.038 ( 0.078 -0.045 2.393) 2.394 3.151 ( 1.644 -1.460 0.604) 2.281 3.454 ( 8.890 1.122 -9.240) 12.871 3.718 ( 0.803 0.524 -2.053) 2.266 4.127 ( 2.327 -0.409 -1.872) 3.015 4.275 ( -7.027 -2.855 -5.948) 9.639 4.719 ( 6.016 -1.346 0.099) 6.166 4.923 ( 3.983 3.465 8.408) 9.928 5.039 ( 8.572 -0.372 5.683) 10.291 5.281 ( 4.837 -4.045 -5.053) 8.080 5.492 ( 6.666 -0.137 -10.742) 12.643 5.571 ( -13.228 0.161 2.553) 13.473 5.920 ( -0.336 2.732 16.650) 16.876 6.046 ( 5.571 0.411 8.585) 10.243 6.687 ( 3.147 2.221 -3.194) 5.004 7.030 ( -1.950 -8.738 4.654) 10.090 7.541 ( 2.381 -0.531 -17.140) 17.313 7.986 ( -3.498 8.208 -5.745) 10.612 8.408 ( 16.018 -4.189 3.709) 16.967 9.067 ( -24.130 1.696 5.717) 24.856 9.397 ( 9.176 -0.506 -4.243) 10.122 9.627 ( -6.620 0.439 -2.207) 6.992 12.329 ( -1.108 -0.167 -2.552) 2.788 12.412 ( 1.869 -0.217 2.814) 3.385 14.047 ( 1.031 -1.462 1.462) 2.311 14.178 ( -4.333 2.056 -2.240) 5.293 14.340 ( -5.723 3.912 -5.831) 9.059 14.649 ( -2.757 -2.656 8.187) 9.038 15.173 ( 4.440 -0.885 -4.501) 6.384 15.539 ( -2.359 -0.403 6.247) 6.690 16.263 ( 3.552 1.062 1.528) 4.009 16.574 ( 3.006 0.572 0.422) 3.089 16.653 ( 5.794 -3.210 -3.006) 7.274 16.902 ( -2.732 0.663 2.122) 3.523 ======================= Grid point 148 (65/140) ======================= q-point: ( 0.67 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 0.345 -0.000 2.109) 2.137 1.186 ( 1.046 -0.000 -0.685) 1.251 1.334 ( 0.989 -0.000 -0.092) 0.993 1.480 ( 0.921 -0.000 0.471) 1.035 1.593 ( -2.684 0.000 2.878) 3.935 1.727 ( 2.817 -0.000 5.663) 6.325 1.849 ( -2.016 0.000 2.977) 3.595 2.041 ( -2.615 0.000 -0.753) 2.721 2.045 ( -3.068 0.000 -3.994) 5.037 2.107 ( 6.098 -0.000 3.183) 6.879 2.398 ( -1.835 0.000 -2.123) 2.806 2.508 ( -1.716 0.000 2.213) 2.800 2.601 ( 0.242 -0.000 0.380) 0.450 2.954 ( -3.209 0.000 0.874) 3.326 2.998 ( 3.811 -0.000 1.928) 4.271 3.131 ( -0.790 0.000 -1.116) 1.368 3.339 ( 6.443 -0.000 -5.817) 8.680 3.638 ( 8.225 -0.000 2.056) 8.478 3.882 ( 19.425 -0.000 0.378) 19.429 4.415 ( -8.811 0.000 -7.361) 11.481 4.577 ( 5.106 -0.000 -1.326) 5.275 4.780 ( 10.143 -0.000 10.406) 14.531 4.950 ( 8.422 -0.000 -2.446) 8.770 5.083 ( 5.097 -0.000 5.403) 7.428 5.388 ( 3.565 -0.000 -14.509) 14.941 5.683 ( 3.943 -0.000 5.086) 6.435 5.924 ( -5.350 0.000 -0.013) 5.350 5.957 ( 4.336 -0.000 24.565) 24.945 6.669 ( 10.850 -0.000 -6.028) 12.412 6.803 ( -2.041 0.000 -1.361) 2.453 7.575 ( 6.044 -0.000 -17.274) 18.301 8.161 ( 5.220 -0.000 -8.264) 9.775 8.169 ( -5.933 0.000 15.681) 16.765 9.240 ( 4.453 -0.000 -2.619) 5.166 9.568 ( -24.026 0.000 0.851) 24.041 9.763 ( -7.816 0.000 -2.414) 8.181 12.355 ( -1.495 0.000 -3.345) 3.664 12.366 ( 2.029 -0.000 2.667) 3.351 14.019 ( -0.790 0.000 6.874) 6.920 14.301 ( -5.938 0.000 -3.211) 6.750 14.497 ( 0.809 -0.000 12.627) 12.653 14.774 ( -13.866 0.000 -15.018) 20.440 15.053 ( 7.135 -0.000 -3.994) 8.177 15.535 ( 1.218 -0.000 5.656) 5.786 16.187 ( 8.217 -0.000 0.674) 8.245 16.368 ( 10.106 -0.000 -2.914) 10.518 16.579 ( 0.703 -0.000 1.226) 1.413 16.972 ( -5.246 0.000 2.638) 5.872 ======================= Grid point 150 (66/140) ======================= q-point: (-0.22 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -4.888 -4.201 1.511) 6.620 1.211 ( 0.674 -1.598 -0.265) 1.755 1.384 ( 3.676 1.732 0.702) 4.124 1.465 ( -4.116 -2.154 1.881) 5.012 1.550 ( -1.939 0.169 1.638) 2.544 1.716 ( -1.404 1.307 2.732) 3.339 1.836 ( 0.674 3.542 1.938) 4.093 1.977 ( -2.516 0.461 -2.422) 3.523 2.056 ( 3.761 0.606 0.946) 3.925 2.177 ( -0.364 3.860 1.547) 4.175 2.333 ( -4.665 -3.377 -0.187) 5.762 2.463 ( -1.032 -0.673 2.256) 2.571 2.594 ( -0.332 0.909 -0.312) 1.017 2.900 ( -3.506 0.419 3.059) 4.672 3.067 ( 2.406 2.316 2.317) 4.065 3.119 ( 0.893 -1.914 -0.162) 2.118 3.469 ( 8.694 0.416 -8.766) 12.353 3.725 ( 0.611 0.172 -1.659) 1.776 4.128 ( 5.292 0.268 -1.952) 5.647 4.225 ( -9.597 -1.739 -5.893) 11.396 4.697 ( 6.831 -0.713 -0.754) 6.909 4.981 ( 8.017 2.092 8.264) 11.702 5.035 ( 2.388 -0.337 9.982) 10.270 5.223 ( 6.408 -1.639 -6.102) 9.000 5.484 ( 8.854 -0.392 -13.081) 15.801 5.571 ( -11.167 -0.145 0.341) 11.173 5.977 ( 4.322 2.831 13.107) 14.088 6.038 ( 0.841 -1.192 15.325) 15.394 6.747 ( 2.896 4.413 -2.087) 5.676 6.865 ( 1.831 -7.771 1.359) 8.099 7.536 ( -2.168 -0.059 -15.019) 15.174 8.129 ( -2.787 5.618 -7.515) 9.788 8.326 ( 15.201 -3.764 4.915) 16.413 9.089 ( -24.715 0.577 5.259) 25.275 9.392 ( 9.614 -0.091 -3.937) 10.389 9.633 ( -5.614 0.163 -2.501) 6.149 12.326 ( -1.176 -0.082 -2.773) 3.013 12.409 ( 2.010 -0.068 2.718) 3.381 14.025 ( 0.487 -0.591 4.572) 4.636 14.194 ( -5.156 0.074 -2.663) 5.803 14.447 ( -8.370 6.184 -6.826) 12.446 14.575 ( -2.697 -4.907 6.283) 8.415 15.163 ( 5.020 -0.229 -4.826) 6.967 15.530 ( -2.822 -0.354 5.663) 6.337 16.277 ( 1.461 0.407 3.416) 3.737 16.550 ( 6.121 -1.521 0.309) 6.314 16.634 ( 5.456 0.084 -2.506) 6.005 16.917 ( 0.354 0.598 1.437) 1.596 ======================= Grid point 151 (67/140) ======================= q-point: (-0.11 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -5.893 -9.411 2.179) 11.316 1.222 ( -3.087 -2.395 2.248) 4.508 1.328 ( -7.707 -2.765 1.797) 8.383 1.473 ( 1.554 -0.161 1.509) 2.172 1.532 ( 0.993 -0.311 0.272) 1.075 1.712 ( 2.982 3.979 -0.811) 5.038 1.805 ( 0.098 3.733 2.196) 4.332 1.927 ( -2.196 1.299 -1.016) 2.746 2.037 ( -5.868 6.666 0.078) 8.881 2.135 ( 3.264 0.787 0.682) 3.426 2.297 ( -3.959 -6.129 0.834) 7.344 2.472 ( -0.680 -0.036 1.502) 1.649 2.621 ( 3.504 -1.169 -0.393) 3.715 2.810 ( -5.342 1.338 2.530) 6.060 3.066 ( 1.030 2.569 0.495) 2.812 3.182 ( 2.518 -1.528 1.582) 3.343 3.606 ( 6.502 0.616 -6.223) 9.021 3.662 ( -5.941 0.181 -5.163) 7.873 4.025 ( -8.330 0.037 -0.892) 8.378 4.172 ( -3.129 -2.661 -7.050) 8.159 4.749 ( -3.274 -0.462 -1.838) 3.783 4.985 ( -1.841 2.195 9.365) 9.793 5.137 ( 1.212 -1.193 4.659) 4.960 5.288 ( 0.021 0.032 -4.062) 4.062 5.412 ( -4.213 1.955 2.694) 5.370 5.607 ( 1.701 2.568 -5.302) 6.132 5.876 ( -5.125 2.231 7.040) 8.990 6.142 ( 2.161 -2.104 13.300) 13.637 6.785 ( 5.182 2.421 -1.046) 5.814 6.978 ( 4.767 -5.226 2.702) 7.572 7.569 ( 4.747 -3.481 -11.706) 13.103 7.937 ( -8.951 7.297 -11.104) 16.021 8.645 ( -17.322 0.911 9.991) 20.018 8.726 ( 16.258 -4.526 -2.810) 17.108 9.537 ( -1.134 1.854 -0.818) 2.322 9.597 ( 10.302 -0.112 -2.799) 10.676 12.304 ( -0.970 -0.184 -2.087) 2.309 12.447 ( 1.562 0.028 2.530) 2.973 14.027 ( -3.528 1.955 -2.636) 4.819 14.136 ( 1.238 -4.206 1.149) 4.532 14.256 ( -4.882 1.930 -6.616) 8.446 14.634 ( 2.242 -3.082 9.882) 10.591 15.222 ( 1.889 0.032 -4.948) 5.296 15.454 ( -6.953 -0.991 5.554) 8.954 16.251 ( -4.736 -0.283 4.203) 6.338 16.585 ( -2.320 -0.686 1.181) 2.692 16.756 ( 7.652 0.306 -3.699) 8.505 16.988 ( 7.937 4.153 1.133) 9.030 ======================= Grid point 159 (68/140) ======================= q-point: (-0.22 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -7.753 0.000 2.749) 8.226 1.196 ( -2.833 0.000 1.923) 3.424 1.301 ( -9.635 0.000 3.078) 10.114 1.467 ( 3.088 -0.000 0.929) 3.225 1.532 ( -0.054 0.000 0.363) 0.367 1.735 ( 1.797 -0.000 1.200) 2.161 1.885 ( 1.543 -0.000 1.542) 2.182 1.920 ( -3.023 0.000 -3.325) 4.493 2.132 ( -2.952 0.000 -0.649) 3.023 2.174 ( -1.438 0.000 1.024) 1.766 2.182 ( -2.304 0.000 1.097) 2.552 2.472 ( 0.267 -0.000 1.816) 1.836 2.603 ( 2.200 -0.000 -0.800) 2.341 2.823 ( -5.845 0.000 3.675) 6.905 3.105 ( 0.917 -0.000 -1.997) 2.198 3.157 ( 2.911 -0.000 3.103) 4.255 3.613 ( 6.529 -0.000 -5.962) 8.842 3.664 ( -6.105 0.000 -5.582) 8.272 4.028 ( -8.803 0.000 -0.580) 8.822 4.142 ( -2.753 0.000 -6.771) 7.309 4.745 ( -2.900 0.000 -1.980) 3.512 5.001 ( -4.511 0.000 9.734) 10.728 5.132 ( 4.359 -0.000 5.728) 7.198 5.286 ( 1.638 -0.000 -5.991) 6.211 5.434 ( -2.741 0.000 3.532) 4.470 5.631 ( 3.594 -0.000 -7.564) 8.374 5.904 ( -9.444 0.000 9.537) 13.422 6.115 ( 2.795 -0.000 13.241) 13.533 6.834 ( 1.882 -0.000 9.512) 9.697 6.895 ( 9.180 -0.000 -9.075) 12.909 7.538 ( 4.242 -0.000 -10.376) 11.209 8.015 ( -9.742 0.000 -11.713) 15.235 8.659 ( -21.774 0.000 10.432) 24.144 8.671 ( 20.906 -0.000 -2.996) 21.119 9.559 ( -1.692 0.000 -1.065) 1.999 9.594 ( 11.823 -0.000 -2.797) 12.149 12.302 ( -0.971 0.000 -2.195) 2.400 12.448 ( 1.693 -0.000 2.450) 2.978 14.047 ( 1.644 -0.000 3.199) 3.597 14.091 ( -5.723 0.000 -3.120) 6.518 14.281 ( -7.112 0.000 -8.146) 10.814 14.599 ( 3.121 -0.000 10.237) 10.703 15.223 ( 2.208 -0.000 -5.156) 5.609 15.443 ( -7.170 0.000 5.446) 9.004 16.248 ( -4.892 0.000 5.326) 7.231 16.575 ( -2.046 0.000 1.428) 2.495 16.760 ( 8.340 -0.000 -4.028) 9.262 17.031 ( 9.562 -0.000 0.546) 9.577 ======================= Grid point 160 (69/140) ======================= q-point: (-0.11 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -8.937 -8.014 4.142) 12.698 1.033 ( -13.819 -1.921 8.216) 16.191 1.222 ( -1.758 -1.674 -1.130) 2.678 1.472 ( -2.480 -0.078 1.748) 3.036 1.588 ( 5.551 -1.104 -1.579) 5.876 1.761 ( -3.264 -1.292 2.794) 4.487 1.817 ( -4.300 4.666 -1.826) 6.602 1.858 ( -5.207 0.009 -1.647) 5.461 1.992 ( -1.553 3.938 1.239) 4.411 2.165 ( 0.427 -0.065 -0.324) 0.540 2.267 ( 4.807 -1.405 -0.846) 5.079 2.465 ( -0.370 0.347 1.779) 1.850 2.657 ( 0.375 -0.221 0.375) 0.575 2.710 ( -4.675 -1.623 0.516) 4.975 3.106 ( 0.359 1.725 -1.716) 2.460 3.208 ( 1.391 -1.032 1.043) 2.022 3.503 ( -9.403 0.245 -7.700) 12.156 3.607 ( -9.005 0.065 0.961) 9.056 3.890 ( -6.358 -0.040 4.030) 7.528 4.083 ( -1.141 -1.377 -9.884) 10.044 4.647 ( -2.840 0.148 -9.653) 10.063 4.921 ( -5.130 -0.212 7.502) 9.091 5.177 ( -5.238 6.882 8.031) 11.802 5.257 ( -1.035 -1.329 3.852) 4.204 5.353 ( -7.072 4.536 0.689) 8.430 5.471 ( -10.368 -4.664 4.014) 12.057 5.941 ( 7.905 0.199 -4.705) 9.201 6.155 ( -0.737 -0.689 14.207) 14.243 6.903 ( 4.492 1.322 7.370) 8.731 7.074 ( 7.717 -2.816 -11.625) 14.235 7.609 ( 2.812 -0.054 -8.973) 9.403 7.763 ( -12.012 3.090 -13.685) 18.469 8.352 ( -12.468 -0.219 15.632) 19.997 9.001 ( 11.792 -1.948 -8.734) 14.803 9.611 ( 9.671 1.401 2.371) 10.056 9.809 ( 11.536 0.240 -1.311) 11.612 12.285 ( -0.599 -0.116 -1.483) 1.604 12.476 ( 1.021 0.192 1.896) 2.162 13.963 ( -4.681 2.678 -3.879) 6.643 14.128 ( 3.117 -7.109 0.457) 7.776 14.196 ( -1.345 0.113 -1.877) 2.312 14.691 ( 4.367 -1.250 9.075) 10.148 15.229 ( -0.539 0.425 -4.706) 4.756 15.287 ( -10.501 -0.835 5.073) 11.692 16.121 ( -9.438 0.024 5.337) 10.842 16.524 ( -3.217 -0.412 0.895) 3.365 16.919 ( 9.424 0.970 -4.443) 10.464 17.202 ( 9.491 3.888 0.878) 10.294 ======================= Grid point 169 (70/140) ======================= q-point: (-0.11 -0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -10.963 0.000 6.938) 12.974 0.770 ( -14.260 0.000 12.181) 18.755 1.189 ( -0.674 0.000 -1.829) 1.949 1.401 ( -4.187 0.000 -0.292) 4.197 1.454 ( -23.937 0.000 9.067) 25.597 1.699 ( 6.929 -0.000 -2.516) 7.372 1.781 ( -2.779 0.000 -3.133) 4.188 1.837 ( 1.591 -0.000 -0.964) 1.860 2.019 ( -0.183 0.000 2.442) 2.449 2.202 ( 3.287 -0.000 -1.634) 3.671 2.361 ( 5.021 -0.000 -0.968) 5.113 2.469 ( 0.402 -0.000 0.871) 0.959 2.592 ( -4.058 0.000 -2.698) 4.873 2.663 ( -1.641 0.000 -0.262) 1.662 3.086 ( -3.106 0.000 -2.531) 4.006 3.171 ( -10.639 0.000 4.243) 11.454 3.314 ( -9.384 0.000 -6.402) 11.360 3.372 ( -7.392 0.000 -3.581) 8.214 3.792 ( -4.899 0.000 5.009) 7.007 4.056 ( -0.833 0.000 -4.635) 4.709 4.688 ( 7.761 -0.000 -9.835) 12.529 4.857 ( -2.492 0.000 7.156) 7.577 5.008 ( -13.095 0.000 7.487) 15.084 5.190 ( -9.524 0.000 9.156) 13.212 5.239 ( -7.101 0.000 -0.826) 7.149 5.386 ( 4.259 -0.000 2.413) 4.895 6.077 ( 6.913 -0.000 -5.276) 8.696 6.139 ( -3.546 0.000 13.137) 13.607 6.993 ( 3.035 -0.000 6.227) 6.928 7.088 ( -2.984 0.000 -17.403) 17.657 7.556 ( -7.741 0.000 -9.097) 11.945 7.630 ( -0.985 0.000 -10.788) 10.833 8.241 ( -2.308 0.000 14.727) 14.907 9.087 ( 1.751 -0.000 -8.308) 8.491 9.917 ( 19.605 -0.000 2.779) 19.801 10.013 ( 9.955 -0.000 0.185) 9.957 12.277 ( 0.054 -0.000 -0.706) 0.708 12.492 ( 0.227 -0.000 0.954) 0.980 13.898 ( -3.017 0.000 -4.188) 5.161 14.131 ( 1.749 -0.000 0.113) 1.753 14.214 ( 3.702 -0.000 6.085) 7.123 14.794 ( 5.547 -0.000 8.396) 10.063 15.077 ( -11.841 0.000 5.226) 12.943 15.202 ( -1.825 0.000 -4.324) 4.693 15.929 ( -11.637 0.000 4.297) 12.405 16.468 ( -2.635 0.000 -0.332) 2.655 17.095 ( 9.098 -0.000 -4.058) 9.962 17.385 ( 7.067 -0.000 -1.414) 7.207 ======================= Grid point 170 (71/140) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -1.758 0.000 14.474) 14.580 0.697 ( 0.048 -0.000 14.735) 14.735 1.089 ( 1.166 -0.000 -7.754) 7.841 1.187 ( 1.490 -0.000 -8.855) 8.980 1.449 ( -1.047 0.000 25.826) 25.847 1.762 ( 3.500 -0.000 0.178) 3.504 1.828 ( -0.179 0.000 -0.762) 0.782 1.911 ( 4.464 -0.000 0.561) 4.499 2.002 ( -7.774 0.000 3.359) 8.469 2.269 ( -0.441 0.000 -1.490) 1.554 2.352 ( -1.374 0.000 -3.744) 3.988 2.362 ( -1.478 0.000 -7.600) 7.743 2.518 ( -0.280 0.000 -1.138) 1.172 2.589 ( 10.377 -0.000 -5.301) 11.653 2.785 ( -4.754 0.000 4.142) 6.305 2.931 ( 1.920 -0.000 -1.795) 2.629 3.158 ( 1.889 -0.000 0.541) 1.965 3.290 ( 2.644 -0.000 -5.479) 6.084 3.898 ( -6.011 0.000 12.311) 13.700 4.253 ( 7.593 -0.000 4.583) 8.868 4.784 ( -9.380 0.000 0.629) 9.401 4.846 ( -0.130 0.000 -1.234) 1.241 4.857 ( 8.070 -0.000 -9.225) 12.256 4.863 ( -6.865 0.000 -3.350) 7.639 5.225 ( 5.484 -0.000 16.410) 17.302 5.555 ( -4.338 0.000 5.139) 6.725 6.180 ( 5.114 -0.000 -10.221) 11.429 6.286 ( -3.492 0.000 15.293) 15.686 6.317 ( -2.119 0.000 -22.310) 22.410 6.837 ( 0.584 -0.000 -9.629) 9.646 7.329 ( -5.848 0.000 5.651) 8.132 7.555 ( 7.496 -0.000 -3.120) 8.119 8.494 ( -2.641 0.000 12.364) 12.642 8.966 ( 1.401 -0.000 -8.812) 8.923 10.262 ( -0.591 0.000 2.187) 2.266 10.348 ( -1.951 0.000 -1.694) 2.584 12.337 ( 1.852 -0.000 2.132) 2.824 12.436 ( -2.124 0.000 -2.114) 2.997 13.900 ( 3.374 -0.000 2.295) 4.080 14.060 ( -2.531 0.000 -4.401) 5.077 14.871 ( -3.419 0.000 5.338) 6.339 15.046 ( -6.070 0.000 0.364) 6.081 15.200 ( 1.700 -0.000 7.194) 7.392 15.409 ( 36.190 -0.000 -0.915) 36.202 15.610 ( 0.135 -0.000 0.727) 0.739 15.967 ( -17.619 0.000 -14.128) 22.584 17.039 ( -15.803 0.000 8.026) 17.724 17.269 ( 4.331 -0.000 -3.043) 5.293 ======================= Grid point 171 (72/140) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 4.118 -6.144 11.959) 14.061 0.882 ( 11.397 -2.919 9.059) 14.848 1.145 ( 4.799 -3.916 -5.642) 8.378 1.232 ( 2.624 -1.760 -6.947) 7.631 1.538 ( 4.681 -2.457 20.151) 20.833 1.812 ( -0.076 1.833 -1.634) 2.457 1.835 ( 2.442 0.191 -0.603) 2.522 1.878 ( -3.189 0.572 3.053) 4.452 1.979 ( 3.933 1.648 2.097) 4.752 2.226 ( -2.726 0.454 -2.188) 3.525 2.245 ( -1.125 6.265 -3.638) 7.332 2.382 ( -2.148 -5.704 -4.869) 7.801 2.598 ( 7.977 0.487 -3.384) 8.679 2.695 ( 1.977 2.005 -2.791) 3.965 2.791 ( 2.077 -1.884 3.159) 4.224 3.126 ( 13.663 0.383 -1.774) 13.783 3.198 ( 7.305 -0.782 -3.435) 8.110 3.330 ( 2.577 -0.685 -6.392) 6.927 3.695 ( -15.316 0.725 11.405) 19.110 4.367 ( 4.445 0.112 -0.096) 4.447 4.699 ( 0.289 1.809 5.518) 5.815 4.711 ( -5.688 1.046 -3.131) 6.577 4.926 ( 4.077 2.044 -3.830) 5.956 4.989 ( 8.638 -2.678 0.414) 9.053 5.390 ( 7.852 1.819 13.329) 15.577 5.460 ( -4.626 -1.290 5.129) 7.026 6.169 ( 0.648 5.464 -10.894) 12.205 6.245 ( -1.593 -0.809 5.409) 5.697 6.402 ( 7.893 -3.282 -7.742) 11.533 6.864 ( 1.278 2.270 -7.266) 7.719 7.262 ( 0.122 -1.234 -0.931) 1.550 7.667 ( 6.263 3.595 -4.574) 8.548 8.454 ( -4.840 -2.300 13.467) 14.494 8.984 ( 1.709 -1.273 -8.651) 8.909 10.173 ( -8.839 0.817 1.460) 8.996 10.198 ( -12.290 -0.237 1.393) 12.371 12.373 ( 1.743 0.319 2.547) 3.103 12.387 ( -2.100 0.650 -2.330) 3.203 13.974 ( 3.256 -0.938 2.641) 4.297 14.019 ( -3.118 -4.151 -5.492) 7.558 14.818 ( -11.727 1.847 2.344) 12.101 14.865 ( -1.465 -1.057 4.001) 4.390 15.279 ( 6.388 3.371 -2.113) 7.526 15.563 ( -18.468 -1.829 -1.824) 18.648 15.721 ( 9.034 0.597 6.744) 11.289 16.045 ( 27.763 1.342 -14.543) 31.370 16.792 ( -10.656 0.592 12.136) 16.161 17.300 ( -1.165 -0.272 -0.966) 1.538 ======================= Grid point 172 (73/140) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 6.084 -8.812 8.054) 13.399 1.079 ( 5.759 -4.061 2.469) 7.467 1.277 ( 2.800 -2.613 -1.653) 4.171 1.301 ( 4.321 -3.319 -0.269) 5.455 1.687 ( 3.978 -0.141 4.694) 6.154 1.778 ( -2.851 -0.724 -3.282) 4.407 1.839 ( 2.485 3.834 -0.265) 4.577 1.892 ( 3.695 0.548 5.492) 6.642 2.037 ( 3.413 0.965 2.647) 4.426 2.144 ( -1.211 3.996 -2.736) 4.992 2.262 ( 3.255 -2.585 0.275) 4.165 2.371 ( -1.662 -2.159 -2.041) 3.404 2.663 ( -0.626 1.568 -1.384) 2.183 2.732 ( 2.266 -1.221 -1.680) 3.074 2.909 ( 9.231 -0.865 -0.111) 9.272 3.176 ( 0.665 -0.232 -0.476) 0.850 3.357 ( -2.072 1.494 -1.410) 2.918 3.460 ( -5.796 -1.600 4.280) 7.380 3.587 ( 23.921 0.670 -4.841) 24.415 4.436 ( 3.603 1.896 -10.313) 11.087 4.598 ( -2.939 1.522 -2.828) 4.353 4.708 ( -0.431 -0.726 6.853) 6.905 5.006 ( 5.804 0.525 6.105) 8.440 5.186 ( 9.271 0.230 3.486) 9.907 5.324 ( -4.227 1.891 -1.321) 4.815 5.641 ( 12.670 0.126 14.481) 19.242 6.107 ( -2.585 3.305 -6.660) 7.872 6.231 ( -0.956 0.282 9.502) 9.554 6.597 ( 12.007 1.436 -8.702) 14.898 6.784 ( -3.692 2.082 -2.346) 4.845 7.373 ( 6.927 -6.308 -10.332) 13.947 7.672 ( -0.937 5.701 -5.551) 8.012 8.422 ( -2.805 -3.058 13.926) 14.531 9.035 ( 4.111 -1.050 -8.931) 9.888 9.905 ( -17.940 -0.183 3.408) 18.262 9.976 ( -12.339 0.370 -0.867) 12.375 12.342 ( -1.491 0.612 -2.330) 2.833 12.408 ( 1.861 0.426 2.776) 3.369 13.987 ( -3.662 -5.397 -5.876) 8.779 14.052 ( 2.498 -1.570 2.067) 3.602 14.572 ( -11.344 0.766 -0.187) 11.371 14.896 ( 1.270 0.130 3.009) 3.269 15.203 ( -7.311 3.662 3.045) 8.725 15.485 ( 4.626 -3.576 -2.009) 6.182 15.911 ( 10.127 0.588 8.343) 13.134 16.389 ( 14.585 3.656 -11.392) 18.865 16.663 ( -4.635 0.794 7.104) 8.520 17.231 ( -5.667 0.637 0.396) 5.717 ======================= Grid point 173 (74/140) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 5.004 -8.733 5.359) 11.403 1.215 ( 3.685 -5.549 0.555) 6.684 1.337 ( 3.324 0.520 -1.418) 3.651 1.399 ( 2.714 -2.423 2.662) 4.508 1.653 ( -2.542 3.814 1.456) 4.810 1.719 ( -2.752 1.482 -1.616) 3.519 1.842 ( 0.905 2.573 -0.869) 2.862 1.932 ( -2.414 -0.938 1.203) 2.856 2.100 ( 3.276 3.033 -0.547) 4.497 2.130 ( 0.624 0.363 0.052) 0.724 2.360 ( 4.368 -4.405 2.438) 6.665 2.418 ( 4.599 -1.219 3.394) 5.844 2.622 ( -2.389 0.321 -0.154) 2.416 2.758 ( -0.301 -2.846 -0.575) 2.919 3.053 ( 4.802 0.609 -1.064) 4.956 3.195 ( 0.805 -0.922 -0.702) 1.411 3.242 ( -3.089 2.043 3.042) 4.792 3.516 ( 4.580 -2.119 -7.231) 8.818 3.974 ( 16.864 1.463 -2.317) 17.086 4.369 ( -5.292 2.227 -7.183) 9.195 4.600 ( 5.100 0.802 -3.568) 6.276 4.808 ( 9.928 0.101 3.189) 10.428 5.087 ( -0.290 -1.229 12.366) 12.430 5.275 ( 2.747 2.012 -4.487) 5.633 5.307 ( 4.003 2.115 0.335) 4.539 5.861 ( -0.037 3.784 1.486) 4.066 5.990 ( 2.659 -0.181 8.702) 9.101 6.254 ( -0.842 -2.796 14.404) 14.697 6.638 ( -0.945 3.285 1.382) 3.687 6.887 ( 15.063 1.660 -16.786) 22.615 7.502 ( -9.129 3.870 -3.308) 10.453 7.555 ( 4.321 -8.363 -9.863) 13.634 8.463 ( 3.257 -0.261 10.284) 10.790 9.131 ( 7.057 -0.105 -9.095) 11.512 9.550 ( -20.810 -0.696 5.538) 21.546 9.743 ( -11.088 0.589 -2.854) 11.465 12.312 ( -0.928 0.348 -1.976) 2.210 12.443 ( 1.809 0.439 2.682) 3.265 13.957 ( -4.365 -5.715 -6.190) 9.488 14.107 ( 2.384 0.237 0.966) 2.583 14.393 ( -7.232 0.239 -0.402) 7.248 14.887 ( -2.718 -0.725 5.455) 6.138 15.123 ( 1.271 2.998 0.526) 3.298 15.606 ( 4.378 -1.779 0.671) 4.773 16.103 ( 9.108 -0.297 5.668) 10.732 16.521 ( 3.327 -0.342 -1.718) 3.760 16.618 ( 1.961 4.047 -1.527) 4.749 17.094 ( -7.634 1.341 1.106) 7.830 ======================= Grid point 174 (75/140) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 2.878 -6.496 2.748) 7.617 1.304 ( 0.836 -2.436 1.548) 3.005 1.378 ( 2.847 3.330 -0.903) 4.473 1.455 ( 2.181 -0.422 -0.642) 2.313 1.597 ( -1.563 -0.190 3.631) 3.958 1.642 ( -3.587 2.218 -0.382) 4.234 1.831 ( 0.245 0.805 0.103) 0.847 1.883 ( -2.631 -0.936 0.127) 2.796 2.077 ( -3.505 0.432 0.425) 3.557 2.124 ( 0.944 2.095 0.669) 2.393 2.484 ( 3.069 -1.820 3.499) 4.997 2.514 ( 3.049 0.603 3.401) 4.607 2.575 ( -1.838 -0.591 2.590) 3.230 2.782 ( -1.050 -4.179 -1.502) 4.564 3.087 ( 0.672 1.550 0.175) 1.698 3.230 ( 1.678 1.149 2.555) 3.266 3.246 ( 5.530 -1.114 -5.983) 8.223 3.562 ( -0.673 -0.848 -9.679) 9.739 4.121 ( 1.424 1.312 -2.020) 2.798 4.242 ( -5.234 1.366 -0.860) 5.477 4.754 ( 9.320 1.105 -0.196) 9.387 5.019 ( 8.313 -1.387 2.981) 8.940 5.081 ( -0.159 -1.378 3.775) 4.022 5.316 ( 0.525 2.402 -0.996) 2.652 5.347 ( 5.491 0.923 -2.325) 6.034 5.606 ( -14.113 1.811 -2.324) 14.417 6.209 ( -3.662 -5.656 14.962) 16.409 6.244 ( 5.852 0.782 15.058) 16.175 6.626 ( 1.364 1.100 -1.553) 2.341 7.123 ( 14.686 3.145 -20.924) 25.756 7.287 ( -7.220 2.871 3.684) 8.599 7.657 ( -1.652 -7.112 -8.914) 11.522 8.573 ( 8.568 2.639 3.950) 9.797 9.166 ( -18.311 -1.113 5.115) 19.044 9.291 ( 8.278 0.349 -5.234) 9.800 9.565 ( -6.852 -0.228 -2.717) 7.374 12.293 ( -0.660 0.185 -1.421) 1.578 12.473 ( 1.387 0.358 2.236) 2.656 13.916 ( -4.155 -4.453 -5.258) 8.046 14.137 ( 1.950 1.846 -1.511) 3.081 14.300 ( -2.385 0.568 1.145) 2.706 14.863 ( -0.876 0.051 6.867) 6.922 15.137 ( 2.259 2.293 -2.049) 3.815 15.659 ( -0.333 -0.075 3.655) 3.671 16.252 ( 4.729 -1.392 1.584) 5.178 16.553 ( -1.051 -3.436 2.529) 4.394 16.652 ( 5.740 3.766 -4.333) 8.118 16.950 ( -5.746 0.917 1.584) 6.031 ======================= Grid point 175 (76/140) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -1.375 5.852 1.034) 6.100 1.312 ( -1.836 0.589 2.858) 3.448 1.366 ( -1.101 2.392 -1.925) 3.262 1.494 ( -1.850 -3.202 -2.068) 4.237 1.563 ( -0.020 0.507 2.795) 2.841 1.608 ( 1.074 -1.107 3.082) 3.447 1.840 ( 0.634 0.007 0.016) 0.634 1.876 ( 0.092 -2.420 0.572) 2.489 1.993 ( -5.902 -1.483 3.489) 7.015 2.143 ( 2.628 0.332 -0.113) 2.651 2.448 ( -4.933 5.216 3.159) 7.843 2.515 ( 0.151 1.367 2.486) 2.841 2.624 ( 2.781 -1.061 1.131) 3.184 2.778 ( -3.605 -3.952 -0.288) 5.357 3.083 ( 0.308 0.246 1.774) 1.818 3.250 ( 0.784 1.026 1.840) 2.248 3.404 ( 9.218 -1.221 -10.200) 13.802 3.487 ( -3.909 0.830 -8.780) 9.647 4.059 ( -5.840 0.699 -0.169) 5.884 4.142 ( -4.778 1.000 2.382) 5.432 4.733 ( -10.879 1.345 -0.489) 10.972 5.026 ( -4.816 -4.055 1.461) 6.463 5.221 ( 2.871 -0.086 -3.233) 4.324 5.291 ( 2.725 1.192 5.013) 5.828 5.425 ( -1.063 -2.334 3.037) 3.975 5.464 ( 2.679 -0.902 -4.377) 5.210 6.039 ( -14.406 -5.826 16.228) 22.468 6.439 ( 6.638 1.744 10.594) 12.623 6.635 ( 2.065 -0.064 -7.112) 7.406 7.211 ( -0.556 -0.529 7.089) 7.130 7.300 ( 11.010 6.374 -20.442) 24.078 7.585 ( -9.981 -4.119 -7.577) 13.191 8.736 ( 11.420 3.597 -3.734) 12.541 8.856 ( -15.433 -0.885 10.612) 18.750 9.482 ( 7.679 -0.731 -2.806) 8.208 9.515 ( 5.665 -0.955 -2.803) 6.393 12.279 ( -0.491 0.123 -0.792) 0.941 12.493 ( 0.677 0.171 1.438) 1.599 13.876 ( -2.986 -2.598 -3.597) 5.349 14.142 ( 1.000 1.669 -2.271) 2.990 14.295 ( 3.196 3.149 1.871) 4.861 14.871 ( 1.530 2.010 6.582) 7.050 15.145 ( 0.299 0.371 -2.973) 3.010 15.600 ( -5.917 1.622 5.403) 8.175 16.294 ( -2.366 -2.274 1.190) 3.491 16.550 ( -3.758 -3.038 -0.743) 4.889 16.715 ( 4.682 2.319 -3.066) 6.058 16.936 ( 3.919 -3.138 1.738) 5.313 ======================= Grid point 176 (77/140) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -4.310 11.219 2.720) 12.322 1.217 ( -7.263 2.691 3.973) 8.705 1.257 ( -4.440 4.188 -1.111) 6.203 1.481 ( -1.676 -1.226 -0.265) 2.093 1.609 ( 3.328 -0.001 1.286) 3.567 1.670 ( 1.300 -4.618 0.122) 4.799 1.852 ( -1.293 -0.369 0.561) 1.457 1.872 ( -2.898 -0.669 2.760) 4.057 1.942 ( -1.076 -2.574 2.942) 4.054 2.195 ( 0.931 -0.049 1.559) 1.816 2.302 ( -2.871 4.394 0.994) 5.343 2.491 ( -1.140 1.430 0.749) 1.976 2.666 ( -0.073 -0.576 0.063) 0.584 2.722 ( -4.098 -0.592 -0.347) 4.155 3.096 ( 0.258 -0.404 1.565) 1.637 3.239 ( -0.760 1.224 -0.453) 1.511 3.316 ( -8.296 0.966 -7.251) 11.060 3.598 ( 3.896 -1.036 -3.477) 5.324 3.894 ( -8.383 0.595 -4.666) 9.613 4.049 ( -4.962 0.762 5.751) 7.634 4.505 ( -8.058 -0.145 -2.497) 8.437 4.932 ( -8.470 -4.644 -0.806) 9.694 5.194 ( -2.128 0.400 -0.437) 2.209 5.327 ( -8.626 -4.744 6.047) 11.553 5.392 ( -3.002 -4.072 8.151) 9.593 5.555 ( 3.855 -0.975 -0.382) 3.995 5.937 ( -1.697 -0.480 7.045) 7.262 6.454 ( -2.775 0.798 8.712) 9.178 6.716 ( 5.295 -0.207 -11.754) 12.893 7.189 ( -0.122 6.990 0.190) 6.994 7.368 ( -5.532 -2.193 -8.599) 10.457 7.413 ( -2.528 -4.144 -9.626) 10.780 8.654 ( -8.629 0.362 13.273) 15.836 8.876 ( 7.618 3.768 -9.500) 12.747 9.625 ( 11.571 -1.590 2.471) 11.938 9.752 ( 13.803 -0.860 -3.181) 14.191 12.271 ( -0.072 0.073 -0.137) 0.171 12.498 ( -0.197 -0.110 0.383) 0.444 13.847 ( -1.394 -0.837 -1.777) 2.409 14.148 ( 1.614 1.535 -1.178) 2.520 14.350 ( 7.047 6.120 1.995) 9.544 14.900 ( 2.965 2.482 5.953) 7.098 15.136 ( -0.947 -1.171 -2.806) 3.184 15.436 ( -10.196 2.114 6.277) 12.159 16.212 ( -9.395 -2.591 4.573) 10.766 16.474 ( -5.411 -1.874 -4.988) 7.594 16.811 ( 7.359 -0.121 -3.499) 8.150 17.099 ( 7.132 -5.377 0.015) 8.932 ======================= Grid point 177 (78/140) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -6.346 11.793 6.458) 14.867 1.029 ( -9.995 3.006 8.332) 13.355 1.155 ( -2.229 3.765 -3.925) 5.878 1.410 ( -5.902 2.035 -1.486) 6.417 1.685 ( 0.717 -1.894 2.863) 3.507 1.696 ( -1.022 -0.425 3.028) 3.224 1.767 ( -3.928 2.673 3.074) 5.659 1.830 ( -1.564 2.105 2.085) 3.350 1.984 ( 0.634 -6.471 1.717) 6.725 2.176 ( 0.404 -1.014 1.179) 1.607 2.325 ( 3.449 0.156 -2.917) 4.519 2.455 ( -1.160 1.351 -2.457) 3.034 2.581 ( -7.703 -1.481 2.558) 8.251 2.689 ( 0.057 3.319 -2.718) 4.291 3.095 ( -0.131 0.602 1.267) 1.409 3.137 ( -9.448 -1.028 -5.759) 11.113 3.214 ( -1.291 0.415 -0.518) 1.452 3.376 ( -19.991 0.821 3.012) 20.233 3.922 ( 4.583 -0.736 -0.972) 4.742 3.976 ( 0.328 1.531 1.393) 2.096 4.488 ( 5.053 -1.906 -4.344) 6.931 4.847 ( -5.372 -5.636 0.293) 7.792 5.132 ( -5.187 -0.850 4.793) 7.114 5.174 ( -12.083 -6.464 7.042) 15.407 5.357 ( -6.266 -0.449 -1.614) 6.486 5.587 ( 0.133 1.601 11.072) 11.188 5.969 ( 4.469 0.809 -2.787) 5.329 6.400 ( -3.879 -0.003 7.065) 8.059 6.692 ( -6.147 1.017 -15.212) 16.438 7.078 ( -3.416 6.897 -8.992) 11.836 7.287 ( -1.720 -7.573 -3.335) 8.452 7.452 ( -0.880 -3.799 -2.464) 4.613 8.555 ( -3.403 1.842 13.459) 14.004 8.928 ( 3.948 3.198 -10.014) 11.229 9.928 ( 17.361 -1.667 1.230) 17.484 10.002 ( 12.063 -0.686 -0.692) 12.102 12.277 ( 0.723 -0.025 0.574) 0.924 12.489 ( -1.035 -0.459 -0.662) 1.312 13.836 ( 0.222 0.413 -0.081) 0.476 14.156 ( 1.254 2.975 -1.823) 3.708 14.466 ( 12.607 6.445 5.219) 15.090 14.960 ( 4.122 0.544 4.748) 6.311 15.129 ( -0.831 -1.262 -0.675) 1.655 15.222 ( -10.939 1.803 7.191) 13.214 16.017 ( -14.372 -2.063 5.500) 15.526 16.378 ( -5.879 -1.463 -8.528) 10.461 16.966 ( 8.339 -2.152 -4.064) 9.523 17.258 ( 3.873 -4.466 -2.392) 6.377 ======================= Grid point 178 (79/140) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -6.062 8.229 11.441) 15.341 0.823 ( -10.618 2.578 11.980) 16.215 1.097 ( -0.268 1.417 -6.685) 6.839 1.254 ( -5.161 3.912 -5.997) 8.827 1.524 ( -10.057 1.613 22.775) 24.949 1.728 ( 1.033 1.683 -0.263) 1.992 1.802 ( 6.197 -0.443 -0.662) 6.248 1.825 ( -0.042 -1.244 -0.641) 1.399 2.057 ( -0.814 -5.422 3.247) 6.372 2.230 ( 2.925 -1.507 -0.602) 3.345 2.346 ( -1.407 -2.057 -4.974) 5.563 2.420 ( 0.678 3.156 -6.596) 7.343 2.496 ( -1.098 0.043 -0.504) 1.209 2.610 ( -5.032 2.653 -0.158) 5.691 2.961 ( -13.135 -1.765 2.114) 13.420 3.002 ( -9.709 1.099 -0.931) 9.815 3.113 ( 2.378 0.432 1.349) 2.768 3.252 ( 2.103 0.471 -4.628) 5.105 3.920 ( -1.100 -0.041 12.224) 12.274 4.096 ( 8.668 0.776 -0.350) 8.710 4.665 ( 11.000 -2.597 -8.706) 14.267 4.827 ( -4.717 -7.920 1.109) 9.285 5.017 ( -8.452 -0.126 -3.356) 9.094 5.036 ( -8.477 0.950 3.251) 9.128 5.196 ( -5.969 1.841 10.573) 12.281 5.591 ( -0.496 0.930 8.729) 8.792 6.066 ( 6.872 -0.208 -7.850) 10.435 6.332 ( -4.292 0.069 8.885) 9.867 6.489 ( -9.922 0.432 -17.327) 19.971 6.925 ( -5.824 2.328 -11.245) 12.876 7.381 ( 0.619 -6.204 2.000) 6.548 7.443 ( 0.397 -0.705 -1.435) 1.647 8.518 ( -1.382 1.752 12.575) 12.771 8.950 ( 2.760 1.813 -9.205) 9.779 10.192 ( 7.192 -0.358 1.257) 7.309 10.240 ( 12.339 -1.641 -1.491) 12.537 12.301 ( 1.552 -0.116 1.375) 2.077 12.469 ( -1.557 -0.675 -1.447) 2.230 13.850 ( 1.969 0.788 1.400) 2.541 14.120 ( -1.031 3.552 -3.408) 5.030 14.765 ( 23.000 2.420 6.861) 24.124 15.020 ( -6.102 -0.768 7.781) 9.918 15.047 ( 3.015 0.506 -2.193) 3.763 15.163 ( 1.483 0.068 10.103) 10.212 15.759 ( -14.093 -0.798 2.170) 14.282 16.236 ( -9.558 -0.832 -12.706) 15.921 17.130 ( 5.367 -4.605 -2.885) 7.638 17.276 ( -4.312 0.575 -3.156) 5.375 ======================= Grid point 180 (80/140) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 7.333 -0.000 10.023) 12.420 1.029 ( 4.823 -0.000 -0.531) 4.852 1.247 ( 6.216 -0.000 4.939) 7.939 1.273 ( 3.518 -0.000 -4.175) 5.460 1.675 ( 8.444 -0.000 5.563) 10.112 1.766 ( -2.605 0.000 -3.913) 4.700 1.850 ( -1.700 0.000 -0.268) 1.721 1.954 ( 7.591 -0.000 8.750) 11.584 2.038 ( 0.106 -0.000 3.120) 3.122 2.217 ( 3.094 -0.000 -3.740) 4.854 2.259 ( -2.996 0.000 -2.969) 4.218 2.287 ( -0.515 0.000 -3.416) 3.454 2.683 ( -2.576 0.000 -1.347) 2.907 2.722 ( 2.677 -0.000 0.766) 2.784 2.900 ( 10.173 -0.000 -1.019) 10.224 3.172 ( 0.143 -0.000 -0.050) 0.152 3.380 ( 4.671 -0.000 -7.144) 8.535 3.437 ( -12.321 0.000 9.337) 15.460 3.593 ( 24.487 -0.000 -5.063) 25.005 4.455 ( 4.269 -0.000 -10.373) 11.217 4.616 ( -3.349 0.000 -3.951) 5.179 4.699 ( -0.694 0.000 8.369) 8.398 5.002 ( 3.856 -0.000 6.701) 7.731 5.191 ( 10.535 -0.000 3.218) 11.016 5.344 ( -4.233 0.000 -2.095) 4.723 5.643 ( 13.501 -0.000 16.115) 21.023 6.143 ( -5.251 0.000 -5.117) 7.332 6.233 ( -1.151 0.000 9.764) 9.832 6.612 ( 16.826 -0.000 -15.307) 22.746 6.811 ( -6.430 0.000 -0.304) 6.437 7.306 ( 5.346 -0.000 -8.902) 10.384 7.729 ( -2.118 0.000 -5.761) 6.138 8.391 ( -1.469 0.000 13.690) 13.769 9.025 ( 4.886 -0.000 -9.601) 10.772 9.903 ( -18.409 0.000 4.152) 18.872 9.979 ( -12.126 0.000 -0.807) 12.153 12.349 ( -1.714 0.000 -2.548) 3.071 12.412 ( 1.805 -0.000 2.815) 3.344 13.928 ( -3.328 0.000 -4.934) 5.951 14.040 ( 3.797 -0.000 1.965) 4.275 14.580 ( -11.846 0.000 -0.641) 11.864 14.897 ( 1.055 -0.000 3.053) 3.230 15.243 ( -11.159 0.000 3.944) 11.835 15.443 ( 8.187 -0.000 -2.382) 8.527 15.917 ( 9.615 -0.000 9.460) 13.488 16.420 ( 12.149 -0.000 -9.733) 15.567 16.679 ( -2.388 0.000 3.786) 4.476 17.235 ( -5.540 0.000 0.962) 5.623 ======================= Grid point 181 (81/140) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 6.791 -3.536 6.909) 10.313 1.114 ( 3.256 -3.439 -2.245) 5.241 1.342 ( 4.636 0.162 1.571) 4.898 1.356 ( 3.941 -1.496 4.195) 5.947 1.707 ( -2.700 0.185 -2.711) 3.830 1.751 ( -2.527 3.705 -0.013) 4.485 1.827 ( -0.227 -3.346 -0.252) 3.364 2.002 ( -0.074 4.899 0.895) 4.981 2.137 ( 6.919 1.252 5.423) 8.880 2.187 ( -0.342 3.731 -0.908) 3.855 2.276 ( 2.579 -2.367 -0.693) 3.568 2.348 ( 2.979 -5.590 -0.757) 6.380 2.630 ( -1.899 0.310 -1.656) 2.539 2.732 ( -0.726 -0.315 3.861) 3.941 3.067 ( 6.401 0.597 -2.382) 6.856 3.174 ( 0.054 -0.804 0.184) 0.827 3.282 ( -3.674 1.453 3.419) 5.225 3.481 ( 5.713 -1.220 -8.382) 10.216 3.994 ( 16.962 0.564 -2.868) 17.212 4.401 ( -6.386 0.940 -6.922) 9.465 4.605 ( 4.140 -0.081 -3.843) 5.649 4.816 ( 11.111 0.448 3.282) 11.594 5.059 ( -0.989 -1.114 13.840) 13.920 5.307 ( 1.991 1.125 -6.158) 6.569 5.334 ( 4.321 0.546 0.857) 4.439 5.922 ( 2.287 2.057 2.776) 4.143 5.987 ( 0.872 -0.131 8.200) 8.247 6.203 ( -5.111 -1.794 16.249) 17.128 6.695 ( -3.767 1.825 1.970) 4.626 6.926 ( 19.271 1.846 -21.012) 28.570 7.408 ( 4.300 -4.757 -8.728) 10.830 7.565 ( -12.191 1.518 -1.460) 12.372 8.461 ( 6.252 -0.033 8.316) 10.404 9.130 ( 7.708 -0.020 -10.067) 12.679 9.542 ( -20.929 -0.222 6.776) 21.999 9.750 ( -11.490 0.164 -2.689) 11.802 12.318 ( -1.187 0.177 -2.207) 2.512 12.449 ( 1.720 0.176 2.636) 3.152 13.876 ( -2.852 -2.298 -3.972) 5.403 14.121 ( 4.906 0.711 0.489) 4.981 14.393 ( -7.885 -0.115 -1.425) 8.014 14.873 ( -3.425 -0.491 5.175) 6.225 15.164 ( 1.093 1.172 1.059) 1.921 15.579 ( 5.666 -0.763 -0.111) 5.718 16.096 ( 7.772 -0.270 8.554) 11.560 16.495 ( -0.802 -1.103 1.346) 1.916 16.700 ( 3.929 2.781 -7.194) 8.656 17.108 ( -7.739 0.244 1.661) 7.919 ======================= Grid point 182 (82/140) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 4.398 -5.191 3.980) 7.882 1.207 ( 2.200 -5.275 -1.219) 5.844 1.424 ( 4.245 1.600 -0.251) 4.544 1.455 ( 4.349 -1.308 4.937) 6.708 1.632 ( -3.698 2.572 0.018) 4.505 1.660 ( -3.750 0.604 -0.768) 3.875 1.824 ( -1.714 -1.129 1.399) 2.484 1.942 ( -0.757 5.293 -0.886) 5.420 2.125 ( -2.102 3.882 1.070) 4.542 2.165 ( -0.795 2.440 0.126) 2.570 2.405 ( 4.820 -4.883 4.288) 8.091 2.455 ( 2.052 -5.750 1.120) 6.208 2.608 ( 0.340 2.436 -0.458) 2.502 2.737 ( 0.018 -0.762 3.502) 3.584 3.118 ( 1.035 1.501 -0.824) 2.001 3.221 ( 5.555 -0.872 -5.482) 7.853 3.259 ( 1.002 1.176 2.026) 2.548 3.546 ( 0.924 -0.728 -9.623) 9.695 4.145 ( 1.420 1.102 -3.158) 3.634 4.260 ( -6.409 0.556 -0.505) 6.453 4.763 ( 9.860 -0.062 -0.179) 9.861 5.005 ( 1.726 -0.273 7.099) 7.311 5.059 ( 4.739 -0.612 0.821) 4.849 5.348 ( 2.838 0.783 -5.121) 5.907 5.364 ( 0.896 1.017 0.913) 1.634 5.635 ( -16.312 1.061 -3.581) 16.734 6.094 ( -12.100 -4.844 18.876) 22.939 6.277 ( 13.993 1.609 12.504) 18.835 6.644 ( -0.813 0.698 0.052) 1.073 7.167 ( 7.799 1.816 -17.953) 19.657 7.349 ( -2.154 3.298 -0.546) 3.977 7.526 ( 2.288 -6.352 -7.280) 9.928 8.616 ( 10.071 1.732 1.795) 10.375 9.147 ( -18.524 -0.731 6.411) 19.616 9.298 ( 8.040 0.300 -5.752) 9.890 9.560 ( -8.005 -0.272 -2.470) 8.382 12.295 ( -0.888 0.035 -1.591) 1.822 12.479 ( 1.278 0.240 2.082) 2.455 13.850 ( -1.847 -2.321 -2.500) 3.879 14.193 ( 3.827 3.449 -2.187) 5.596 14.297 ( -1.723 -0.875 0.059) 1.934 14.850 ( -0.250 -0.982 5.411) 5.505 15.184 ( 1.754 2.183 -1.904) 3.386 15.654 ( 1.174 -0.334 2.930) 3.174 16.225 ( 3.583 -1.353 5.058) 6.344 16.485 ( -2.224 -3.031 1.462) 4.034 16.718 ( 2.703 2.833 -5.505) 6.756 16.966 ( -6.659 0.626 1.986) 6.977 ======================= Grid point 183 (83/140) ======================= q-point: (-0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 1.428 -5.512 1.657) 5.930 1.279 ( 0.266 -4.115 -0.286) 4.134 1.448 ( 0.660 3.918 -0.596) 4.018 1.511 ( -0.513 3.939 -0.503) 4.004 1.560 ( -1.022 -0.598 2.541) 2.803 1.605 ( -0.402 0.232 2.617) 2.658 1.827 ( 0.497 -2.066 2.479) 3.265 1.884 ( -0.250 4.123 -1.659) 4.451 2.012 ( -5.347 3.016 4.413) 7.560 2.161 ( 2.174 1.308 -0.994) 2.725 2.491 ( -1.042 -1.360 0.650) 1.832 2.543 ( 1.096 -5.794 1.642) 6.121 2.575 ( 0.066 4.307 3.616) 5.624 2.743 ( -0.334 0.092 1.934) 1.964 3.100 ( -0.762 1.233 0.656) 1.591 3.272 ( 1.098 1.085 1.839) 2.401 3.381 ( 9.858 -1.112 -10.023) 14.102 3.500 ( -3.561 0.514 -7.808) 8.597 4.078 ( -5.916 1.221 -1.068) 6.134 4.154 ( -5.326 0.101 1.517) 5.539 4.762 ( -11.236 1.589 -0.820) 11.378 4.948 ( -6.984 -3.775 4.192) 8.978 5.207 ( 5.090 -0.921 -4.618) 6.934 5.328 ( -0.378 1.907 1.688) 2.575 5.382 ( -4.394 -1.928 4.488) 6.570 5.444 ( -0.708 -0.817 -2.610) 2.825 5.926 ( -10.627 -5.686 14.769) 19.062 6.467 ( 4.295 1.180 10.378) 11.293 6.644 ( 2.799 0.787 -6.272) 6.913 7.152 ( -2.080 -3.694 2.398) 4.871 7.414 ( 4.997 2.891 -11.028) 12.448 7.552 ( -1.094 1.414 -10.159) 10.315 8.797 ( 10.117 2.528 -3.984) 11.164 8.840 ( -13.451 -0.689 9.997) 16.774 9.469 ( 2.919 -0.633 -0.708) 3.070 9.497 ( 8.853 -0.843 -4.463) 9.950 12.278 ( -0.692 -0.126 -0.897) 1.140 12.497 ( 0.543 0.206 1.202) 1.335 13.842 ( -0.466 -0.915 -0.612) 1.195 14.183 ( 0.153 2.216 -1.633) 2.757 14.351 ( 6.606 2.557 -0.654) 7.114 14.893 ( 3.206 0.332 4.174) 5.274 15.168 ( -0.830 1.958 -3.516) 4.109 15.627 ( -4.641 1.097 5.605) 7.359 16.252 ( -3.102 -2.059 0.887) 3.827 16.466 ( -4.802 -5.211 0.181) 7.089 16.754 ( 3.922 1.546 -3.263) 5.332 16.893 ( -0.382 -1.189 2.999) 3.248 ======================= Grid point 184 (84/140) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -5.260 -0.553 2.140) 5.706 1.281 ( -1.110 1.688 0.197) 2.030 1.358 ( -3.432 5.937 -0.416) 6.870 1.466 ( -0.279 0.387 -0.715) 0.860 1.578 ( 1.487 -0.089 2.662) 3.051 1.626 ( 0.397 -0.933 2.517) 2.714 1.832 ( -1.309 0.774 -1.365) 2.043 1.877 ( 0.229 -0.919 3.484) 3.610 1.940 ( 0.887 2.116 2.317) 3.261 2.205 ( 3.234 1.039 -0.186) 3.402 2.399 ( -5.334 5.157 0.740) 7.456 2.519 ( -2.802 0.601 1.654) 3.309 2.598 ( -2.551 -3.406 3.163) 5.302 2.744 ( 1.570 1.277 -1.682) 2.632 3.091 ( 0.326 -0.091 1.754) 1.786 3.266 ( -0.975 1.339 -0.629) 1.772 3.343 ( -8.140 1.790 -5.383) 9.922 3.568 ( 3.476 -1.989 -4.007) 5.665 3.914 ( -7.656 1.517 -4.673) 9.096 4.058 ( -5.135 0.024 3.454) 6.188 4.506 ( -9.943 0.311 -2.586) 10.278 4.815 ( -12.454 -7.080 2.563) 14.553 5.196 ( -7.280 -1.216 6.757) 10.006 5.231 ( -8.987 -2.979 1.978) 9.672 5.344 ( -0.733 -1.766 2.017) 2.780 5.528 ( 5.100 -1.384 1.395) 5.466 5.913 ( 1.608 -2.100 5.072) 5.720 6.458 ( -3.890 -0.440 5.732) 6.941 6.718 ( 5.176 0.275 -9.055) 10.434 7.193 ( -0.211 -4.678 5.704) 7.380 7.322 ( -11.824 -2.693 -0.755) 12.150 7.471 ( 0.172 8.478 -19.714) 21.460 8.661 ( -6.457 0.405 13.655) 15.110 8.945 ( 7.514 3.168 -10.062) 12.951 9.596 ( 11.866 -1.268 2.684) 12.232 9.733 ( 13.475 -1.029 -3.144) 13.875 12.270 ( -0.277 -0.217 -0.214) 0.412 12.498 ( -0.343 0.081 0.117) 0.372 13.847 ( 0.847 0.834 1.222) 1.705 14.179 ( 1.646 1.664 -0.050) 2.341 14.465 ( 9.595 5.103 -1.592) 10.984 14.954 ( 3.869 3.010 3.156) 5.829 15.120 ( -2.168 -0.277 -4.149) 4.690 15.481 ( -9.794 2.381 7.045) 12.297 16.158 ( -9.548 -2.834 1.743) 10.111 16.404 ( -6.541 -5.508 -4.571) 9.696 16.817 ( 4.872 0.749 -0.801) 4.994 16.993 ( 5.765 -5.166 1.878) 7.966 ======================= Grid point 185 (85/140) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -8.987 4.100 5.415) 11.265 1.184 ( -3.397 11.490 4.343) 12.744 1.252 ( -1.694 5.243 -2.636) 6.108 1.440 ( -2.940 1.034 -0.232) 3.125 1.603 ( -1.754 -3.989 2.851) 5.208 1.672 ( 3.051 -2.342 1.670) 4.193 1.829 ( -0.329 -2.301 -2.146) 3.164 1.852 ( -0.076 4.794 2.291) 5.314 1.959 ( 0.274 3.093 2.359) 3.900 2.178 ( -3.418 2.859 3.561) 5.704 2.327 ( 1.627 0.045 -2.917) 3.340 2.460 ( -3.384 -1.090 -0.645) 3.613 2.545 ( -5.050 -1.425 2.564) 5.840 2.754 ( 1.377 2.868 -4.910) 5.850 3.106 ( -0.428 0.212 -1.329) 1.412 3.123 ( -10.646 -0.041 -0.726) 10.671 3.226 ( -3.624 0.771 0.453) 3.732 3.392 ( -16.731 0.703 1.231) 16.791 3.912 ( 2.655 -0.330 1.331) 2.988 4.003 ( 2.725 1.160 -3.288) 4.426 4.448 ( 2.902 -1.954 -4.197) 5.464 4.676 ( -11.928 -11.173 8.349) 18.353 5.060 ( -7.641 -3.581 12.316) 14.929 5.140 ( -4.975 -0.023 -3.295) 5.967 5.321 ( -4.735 -2.948 -4.230) 7.000 5.601 ( 0.908 -0.340 8.362) 8.418 5.980 ( 4.087 0.184 -0.736) 4.157 6.393 ( -4.312 -0.799 3.450) 5.580 6.718 ( -5.220 1.407 -11.938) 13.105 7.136 ( -6.624 -5.930 -0.133) 8.892 7.227 ( -1.365 4.472 -0.883) 4.759 7.357 ( -3.936 -3.316 -10.530) 11.720 8.602 ( -1.286 2.849 13.203) 13.568 8.998 ( 3.992 3.723 -9.218) 10.713 9.899 ( 17.233 -1.148 1.082) 17.305 9.984 ( 12.099 -1.107 -0.556) 12.162 12.274 ( 0.494 -0.291 0.464) 0.738 12.483 ( -1.257 -0.144 -0.926) 1.568 13.860 ( 1.852 2.174 2.583) 3.851 14.206 ( 2.754 2.172 0.279) 3.518 14.609 ( 12.734 6.848 -1.443) 14.530 14.979 ( 1.568 1.824 2.328) 3.348 15.103 ( -0.039 -1.112 -2.489) 2.726 15.266 ( -10.757 2.603 8.213) 13.782 15.967 ( -13.863 -2.887 3.260) 14.531 16.321 ( -6.658 -4.722 -9.721) 12.693 16.919 ( 4.797 -2.352 1.540) 5.560 17.159 ( 5.538 -5.240 -0.906) 7.677 ======================= Grid point 186 (86/140) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -8.485 6.005 9.632) 14.171 0.984 ( -4.926 14.115 8.596) 17.245 1.172 ( -0.134 6.051 -5.698) 8.312 1.346 ( -3.382 4.351 -3.161) 6.353 1.563 ( -5.752 1.156 12.930) 14.199 1.754 ( 2.533 -0.749 1.711) 3.147 1.794 ( -2.589 0.317 1.987) 3.279 1.828 ( 1.835 3.438 -2.080) 4.418 1.948 ( 1.103 -3.580 0.811) 3.833 2.180 ( 1.671 -3.172 1.782) 4.004 2.314 ( -4.361 -1.548 -4.624) 6.542 2.434 ( -0.742 -1.600 -3.208) 3.661 2.492 ( -0.142 -0.101 -0.582) 0.607 2.695 ( -3.428 4.795 -5.673) 8.181 2.926 ( -8.370 -1.393 -0.487) 8.499 3.020 ( -12.219 0.698 1.014) 12.281 3.128 ( 2.307 1.133 2.565) 3.631 3.268 ( 1.535 1.132 -4.688) 5.061 3.917 ( -0.941 -0.240 11.451) 11.492 4.121 ( 8.287 1.514 0.379) 8.433 4.577 ( 1.066 -8.080 -5.757) 9.978 4.627 ( -1.240 -9.066 6.348) 11.136 5.014 ( -4.403 -0.398 -3.870) 5.875 5.043 ( -2.656 -0.074 6.640) 7.152 5.208 ( -7.310 -1.278 -1.718) 7.617 5.610 ( -1.300 0.329 9.249) 9.346 6.061 ( 4.690 -0.168 -4.914) 6.795 6.331 ( -3.001 -0.325 6.101) 6.807 6.503 ( -11.052 0.966 -12.376) 16.621 6.996 ( -8.294 3.954 -13.475) 16.309 7.258 ( 3.598 -4.964 3.363) 6.993 7.361 ( -1.229 -6.978 -0.765) 7.127 8.577 ( -0.389 4.110 12.298) 12.972 9.008 ( 2.605 3.845 -8.508) 9.693 10.179 ( 7.169 -0.938 1.408) 7.366 10.201 ( 12.030 -1.716 -0.513) 12.162 12.296 ( 1.341 -0.396 1.202) 1.844 12.454 ( -1.905 -0.590 -1.548) 2.525 13.884 ( 2.781 2.732 3.288) 5.100 14.211 ( 0.795 4.770 -2.655) 5.517 14.833 ( 16.729 3.409 -0.514) 17.080 14.993 ( -5.133 -1.801 6.559) 8.522 15.067 ( 3.132 1.589 -1.454) 3.801 15.168 ( 0.160 0.618 8.943) 8.965 15.735 ( -12.237 -1.419 1.061) 12.365 16.197 ( -9.474 -3.374 -13.775) 17.056 17.018 ( -0.197 -5.757 5.300) 7.828 17.266 ( 2.528 -1.680 -4.345) 5.300 ======================= Grid point 187 (87/140) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -2.143 7.335 12.378) 14.547 0.809 ( -0.024 11.888 12.510) 17.258 1.133 ( 2.564 4.616 -6.948) 8.727 1.250 ( 0.009 5.570 -7.716) 9.516 1.491 ( -0.420 4.000 22.345) 22.704 1.784 ( -0.054 -2.908 -0.651) 2.981 1.788 ( 2.263 1.549 0.386) 2.769 1.870 ( 2.439 -2.938 -0.256) 3.827 1.983 ( -3.411 -1.828 3.978) 5.550 2.233 ( -4.058 -4.768 -5.594) 8.396 2.247 ( 0.561 -2.500 -0.170) 2.567 2.435 ( 0.241 -0.727 -4.673) 4.735 2.528 ( 0.639 1.259 -2.503) 2.874 2.604 ( 4.217 1.578 -5.042) 6.760 2.819 ( -2.392 3.573 1.046) 4.425 2.922 ( 2.430 -0.773 -1.905) 3.183 3.168 ( 1.945 0.872 0.623) 2.220 3.297 ( 2.794 0.689 -5.303) 6.033 3.889 ( -6.856 -0.969 12.315) 14.128 4.263 ( 7.271 0.891 5.494) 9.157 4.609 ( -1.879 -10.901 6.421) 12.791 4.780 ( 2.236 -4.121 -8.299) 9.532 4.912 ( -1.368 1.330 -6.127) 6.417 4.951 ( -4.294 3.892 -4.040) 7.064 5.215 ( 5.497 -0.999 13.201) 14.334 5.563 ( -4.749 0.449 6.187) 7.812 6.120 ( 1.036 -3.867 -10.649) 11.376 6.288 ( -4.858 0.126 13.082) 13.955 6.369 ( 2.382 2.756 -15.552) 15.973 6.837 ( -2.020 0.469 -9.785) 10.002 7.297 ( -3.005 -2.144 4.364) 5.715 7.492 ( 6.961 -6.324 -2.728) 9.793 8.534 ( -2.369 3.833 12.207) 13.012 8.997 ( 1.162 2.939 -8.449) 9.021 10.253 ( -0.723 -0.806 2.139) 2.398 10.327 ( -0.957 -1.495 -0.809) 1.951 12.332 ( 1.773 -0.454 2.000) 2.711 12.421 ( -2.134 -1.070 -1.887) 3.043 13.923 ( 3.384 2.314 3.263) 5.240 14.133 ( -2.117 6.426 -5.408) 8.661 14.869 ( -4.251 -0.205 4.952) 6.530 15.028 ( -3.608 -1.916 0.437) 4.109 15.163 ( -0.313 -3.411 7.068) 7.854 15.392 ( 27.661 -1.455 -0.066) 27.700 15.630 ( 3.636 1.632 -0.702) 4.047 15.965 ( -15.179 -0.431 -15.293) 21.552 16.978 ( -11.263 -4.496 10.732) 16.194 17.296 ( 2.157 1.334 -4.264) 4.961 ======================= Grid point 190 (88/140) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 4.831 -0.000 4.610) 6.678 1.151 ( 2.831 -0.000 -2.070) 3.507 1.434 ( 4.887 -0.000 6.474) 8.111 1.441 ( 4.753 -0.000 -0.010) 4.753 1.641 ( -3.902 0.000 -3.246) 5.076 1.686 ( -4.789 0.000 2.455) 5.382 1.811 ( -0.463 0.000 -0.103) 0.474 2.005 ( -1.562 0.000 -0.530) 1.650 2.168 ( -0.175 0.000 -0.719) 0.740 2.218 ( -5.310 0.000 3.995) 6.645 2.345 ( 6.708 -0.000 4.439) 8.044 2.369 ( 2.931 -0.000 -2.082) 3.595 2.634 ( 1.817 -0.000 -3.348) 3.809 2.732 ( 0.174 -0.000 7.417) 7.419 3.135 ( 1.080 -0.000 -1.194) 1.610 3.212 ( 5.832 -0.000 -5.177) 7.798 3.271 ( 0.460 -0.000 1.840) 1.897 3.538 ( 1.637 -0.000 -9.658) 9.796 4.157 ( 1.632 -0.000 -4.057) 4.373 4.265 ( -7.178 0.000 0.269) 7.183 4.761 ( 10.149 -0.000 -0.006) 10.149 5.001 ( -2.098 0.000 10.182) 10.396 5.057 ( 8.303 -0.000 -2.318) 8.620 5.355 ( 2.789 -0.000 -5.331) 6.017 5.375 ( -0.002 0.000 1.166) 1.166 5.645 ( -17.187 0.000 -4.439) 17.751 6.044 ( -13.396 0.000 19.710) 23.832 6.294 ( 15.219 -0.000 12.277) 19.553 6.651 ( -1.884 0.000 0.248) 1.900 7.188 ( 1.694 -0.000 -13.586) 13.691 7.411 ( 5.185 -0.000 -7.486) 9.106 7.430 ( 1.781 -0.000 -3.953) 4.336 8.634 ( 10.647 -0.000 0.855) 10.681 9.140 ( -18.671 0.000 7.051) 19.958 9.301 ( 7.951 -0.000 -6.030) 9.979 9.557 ( -8.440 0.000 -2.431) 8.783 12.295 ( -1.009 0.000 -1.710) 1.985 12.481 ( 1.241 -0.000 1.993) 2.348 13.828 ( -0.818 0.000 -1.056) 1.335 14.243 ( 7.460 -0.000 -1.617) 7.633 14.274 ( -4.493 0.000 -1.175) 4.644 14.838 ( 0.006 -0.000 4.723) 4.723 15.208 ( 1.814 -0.000 -1.949) 2.662 15.650 ( 1.754 -0.000 2.528) 3.077 16.210 ( 2.979 -0.000 7.336) 7.918 16.454 ( -2.830 0.000 0.393) 2.857 16.747 ( 1.309 -0.000 -6.113) 6.251 16.972 ( -6.706 0.000 2.201) 7.057 ======================= Grid point 191 (89/140) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 2.117 -2.459 2.064) 3.846 1.205 ( 1.751 -2.403 -1.099) 3.170 1.496 ( 0.855 1.222 1.180) 1.902 1.545 ( 5.002 -0.599 3.785) 6.301 1.550 ( -5.156 0.130 -2.072) 5.558 1.627 ( -0.302 1.322 2.672) 2.997 1.809 ( 0.479 -0.023 1.376) 1.457 1.959 ( -1.455 2.645 -0.704) 3.100 2.081 ( -6.396 3.049 5.397) 8.907 2.182 ( 1.931 0.681 -1.746) 2.692 2.421 ( 0.421 -3.913 -0.638) 3.987 2.463 ( 3.710 -1.860 2.132) 4.666 2.646 ( 0.838 2.211 -1.693) 2.908 2.754 ( 0.558 0.490 7.614) 7.651 3.120 ( -1.653 0.658 -0.222) 1.793 3.286 ( 0.818 0.362 1.791) 2.002 3.366 ( 10.402 -0.397 -9.795) 14.293 3.506 ( -3.246 0.158 -7.110) 7.817 4.101 ( -5.652 0.912 -3.741) 6.839 4.148 ( -6.097 -0.493 3.383) 6.990 4.787 ( -10.339 0.781 -1.459) 10.471 4.893 ( -9.817 -1.592 6.513) 11.888 5.194 ( 4.871 -0.378 -6.602) 8.213 5.345 ( -5.135 -0.048 1.633) 5.389 5.359 ( -3.010 -0.373 2.561) 3.970 5.442 ( -0.729 0.432 -0.310) 0.902 5.838 ( -8.844 -2.769 14.096) 16.870 6.482 ( 1.408 0.413 9.839) 9.948 6.658 ( 4.536 0.513 -5.349) 7.032 7.095 ( -4.652 -1.756 2.041) 5.375 7.427 ( -2.259 -0.166 -0.322) 2.288 7.601 ( 9.833 1.949 -19.260) 21.712 8.821 ( -12.252 0.025 11.260) 16.641 8.839 ( 9.021 0.610 -5.451) 10.557 9.459 ( -0.545 -0.344 0.771) 1.005 9.486 ( 11.441 -0.228 -5.915) 12.882 12.276 ( -0.819 -0.094 -1.017) 1.309 12.500 ( 0.494 0.089 0.957) 1.080 13.835 ( 1.235 -0.038 1.930) 2.292 14.215 ( -1.209 0.931 -0.125) 1.531 14.386 ( 8.301 0.936 -2.594) 8.748 14.894 ( 5.060 -0.028 1.419) 5.256 15.205 ( -1.025 1.363 -3.935) 4.289 15.640 ( -3.606 0.344 5.455) 6.548 16.221 ( -3.272 -0.926 3.614) 4.962 16.380 ( -6.653 -2.820 -0.742) 7.264 16.773 ( 3.484 0.491 -3.831) 5.201 16.884 ( -2.812 -0.071 3.471) 4.467 ======================= Grid point 192 (90/140) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -0.683 -3.179 1.217) 3.472 1.248 ( 0.072 -2.722 -0.448) 2.760 1.432 ( -4.736 1.551 -1.721) 5.273 1.478 ( -1.670 0.333 1.448) 2.236 1.614 ( 1.009 1.129 3.154) 3.499 1.645 ( 2.922 3.379 3.711) 5.808 1.843 ( 2.173 -1.033 2.895) 3.764 1.889 ( -2.813 3.696 -0.927) 4.737 1.998 ( 0.793 2.986 2.633) 4.059 2.217 ( 2.331 -0.343 -2.107) 3.161 2.440 ( -1.488 -1.617 -0.722) 2.313 2.492 ( -3.061 -0.600 -0.315) 3.135 2.628 ( 0.183 4.461 3.509) 5.679 2.759 ( 0.399 0.287 1.680) 1.750 3.091 ( -0.279 0.102 1.564) 1.592 3.283 ( -1.745 0.368 -0.347) 1.817 3.381 ( -7.383 1.917 -3.353) 8.332 3.528 ( 2.604 -2.040 -4.834) 5.858 3.948 ( -6.268 1.810 -6.013) 8.872 4.047 ( -5.827 -1.006 3.243) 6.744 4.517 ( -11.662 0.852 -3.279) 12.144 4.687 ( -16.312 -5.518 6.141) 18.283 5.149 ( -13.165 -2.074 13.212) 18.766 5.220 ( -1.596 0.058 -7.081) 7.259 5.313 ( -3.017 -1.431 -1.062) 3.504 5.516 ( 4.818 0.241 5.887) 7.611 5.861 ( 3.991 -2.939 2.484) 5.544 6.445 ( -4.414 -0.671 4.043) 6.023 6.727 ( 3.341 0.695 -6.920) 7.716 7.091 ( -0.513 -4.872 4.241) 6.479 7.300 ( -11.891 -0.112 3.694) 12.452 7.615 ( -0.872 5.621 -20.417) 21.194 8.668 ( -4.351 0.254 14.112) 14.769 8.992 ( 7.296 1.640 -10.376) 12.790 9.578 ( 12.609 -0.597 2.284) 12.828 9.716 ( 13.111 -0.685 -3.068) 13.482 12.265 ( -0.383 -0.239 -0.288) 0.535 12.500 ( -0.367 0.115 -0.259) 0.464 13.872 ( 2.645 1.416 4.497) 5.406 14.208 ( 1.390 1.229 1.396) 2.322 14.528 ( 8.696 1.454 -2.262) 9.102 15.007 ( 7.396 2.074 -2.693) 8.140 15.136 ( -3.630 1.895 -4.944) 6.420 15.521 ( -9.206 1.559 7.793) 12.162 16.117 ( -9.174 -1.073 0.116) 9.237 16.277 ( -8.359 -6.871 -2.550) 11.117 16.837 ( 3.097 1.289 1.152) 3.547 16.913 ( 4.718 -3.152 1.665) 5.913 ======================= Grid point 193 (91/140) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -5.886 2.269 4.371) 7.674 1.266 ( -0.632 -2.015 0.091) 2.114 1.353 ( -1.979 3.057 0.487) 3.674 1.454 ( -1.312 0.497 0.232) 1.422 1.582 ( -1.851 1.521 2.773) 3.664 1.671 ( 3.427 3.439 3.216) 5.824 1.817 ( -1.815 1.155 -2.375) 3.204 1.897 ( 1.566 -0.273 4.509) 4.781 2.020 ( 3.421 3.787 -0.553) 5.133 2.265 ( 1.871 0.948 -2.003) 2.900 2.340 ( -7.081 3.576 -0.641) 7.958 2.421 ( -4.213 -1.437 -1.591) 4.728 2.557 ( -3.720 2.618 4.529) 6.419 2.788 ( 2.541 0.529 -5.002) 5.635 3.105 ( -4.486 0.164 -2.642) 5.209 3.136 ( -7.135 0.967 3.369) 7.950 3.232 ( -8.118 -0.373 1.663) 8.295 3.402 ( -11.587 0.291 -0.888) 11.624 3.912 ( -0.222 0.324 2.522) 2.553 4.016 ( 5.180 0.113 -7.028) 8.732 4.415 ( 0.551 -1.740 -1.394) 2.297 4.467 ( -15.190 -9.254 11.488) 21.174 5.011 ( -4.831 -1.781 8.991) 10.361 5.144 ( -5.167 0.366 -3.899) 6.484 5.257 ( -5.457 -3.317 -4.889) 8.042 5.581 ( 0.216 -1.367 8.856) 8.963 5.973 ( 5.309 -0.929 -1.313) 5.547 6.373 ( -4.493 -1.042 1.662) 4.902 6.733 ( -3.084 0.051 -11.266) 11.681 7.057 ( -10.152 -1.986 7.267) 12.642 7.164 ( -0.544 -6.359 5.133) 8.190 7.433 ( -7.730 6.289 -19.513) 21.910 8.657 ( 1.128 2.665 12.761) 13.085 9.061 ( 4.356 2.639 -8.422) 9.842 9.886 ( 17.714 -0.310 -0.054) 17.717 9.963 ( 12.168 -1.042 -0.308) 12.216 12.267 ( 0.371 -0.351 0.412) 0.655 12.483 ( -1.250 0.110 -1.398) 1.879 13.914 ( 3.256 3.105 6.060) 7.548 14.243 ( 3.436 1.774 2.590) 4.654 14.681 ( 8.999 0.391 -1.489) 9.130 15.034 ( -2.606 2.800 -4.460) 5.876 15.104 ( 4.814 2.132 -5.179) 7.386 15.315 ( -11.190 2.253 9.149) 14.628 15.921 ( -12.447 -1.450 0.622) 12.546 16.196 ( -7.523 -7.975 -8.449) 13.841 16.886 ( 1.891 -1.016 6.515) 6.859 17.071 ( 7.454 -3.633 -1.615) 8.448 ======================= Grid point 194 (92/140) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -5.716 6.241 8.382) 11.912 1.215 ( -4.714 6.508 6.716) 10.473 1.282 ( 0.032 4.716 -1.679) 5.006 1.407 ( -1.320 2.876 -1.898) 3.690 1.562 ( -0.495 0.215 1.878) 1.954 1.736 ( 3.078 -0.462 3.768) 4.887 1.791 ( 0.357 -0.936 -3.153) 3.309 1.900 ( -0.861 2.315 3.155) 4.007 1.996 ( -1.492 7.649 0.365) 7.802 2.146 ( -2.850 1.205 4.045) 5.093 2.284 ( -6.060 -1.488 -5.907) 8.592 2.375 ( -0.929 -4.013 -2.698) 4.924 2.500 ( -0.530 0.724 0.769) 1.181 2.764 ( -4.633 2.485 -7.093) 8.829 2.919 ( -3.764 0.606 -1.975) 4.294 3.022 ( -10.870 -0.609 1.442) 10.982 3.155 ( 1.588 1.588 4.019) 4.604 3.290 ( -0.026 0.957 -4.974) 5.066 3.908 ( -1.055 -0.739 10.677) 10.754 4.145 ( 6.953 0.743 1.572) 7.167 4.357 ( -8.332 -11.325 12.194) 18.612 4.532 ( 8.741 -3.357 -8.608) 12.719 5.001 ( -2.818 -0.811 -4.112) 5.051 5.039 ( -2.408 -0.189 5.902) 6.377 5.154 ( -7.188 -3.818 -4.429) 9.267 5.590 ( -2.331 -2.256 8.173) 8.793 6.064 ( 3.836 0.383 -2.086) 4.384 6.316 ( -2.157 -1.251 3.077) 3.960 6.524 ( -13.456 1.126 -7.394) 15.395 7.014 ( -3.765 -2.224 -4.548) 6.310 7.210 ( -2.906 -6.982 -3.472) 8.321 7.250 ( 0.905 2.835 -3.095) 4.294 8.665 ( 0.926 4.702 11.617) 12.566 9.083 ( 2.668 3.696 -7.679) 8.929 10.159 ( 7.317 -1.030 1.704) 7.583 10.182 ( 12.232 -0.339 -1.325) 12.309 12.287 ( 1.185 -0.468 1.097) 1.681 12.449 ( -1.975 0.009 -2.119) 2.897 13.952 ( 3.541 4.132 6.417) 8.413 14.290 ( 3.059 3.546 1.108) 4.813 14.841 ( 6.581 -3.074 -1.156) 7.355 14.974 ( -3.738 0.256 -0.023) 3.747 15.104 ( -0.409 1.927 2.601) 3.263 15.191 ( 1.287 1.858 1.975) 3.001 15.718 ( -8.754 -0.087 -0.635) 8.778 16.103 ( -8.585 -6.334 -13.557) 17.252 16.933 ( -1.026 -2.985 10.007) 10.493 17.221 ( 5.222 -2.660 -3.847) 7.011 ======================= Grid point 195 (93/140) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -0.381 8.688 11.104) 14.104 1.059 ( -2.522 11.443 10.104) 15.472 1.245 ( 2.620 6.084 -5.108) 8.365 1.354 ( -0.320 4.136 -4.086) 5.823 1.561 ( 1.345 2.177 7.445) 7.872 1.738 ( -2.046 -0.911 -0.397) 2.274 1.824 ( 3.646 2.507 3.363) 5.558 1.880 ( 0.278 4.034 3.242) 5.183 1.942 ( -0.106 -1.128 0.513) 1.244 2.144 ( -3.679 -4.621 -2.329) 6.349 2.195 ( -0.486 -2.621 -1.005) 2.848 2.387 ( -1.160 -3.279 -3.657) 5.047 2.533 ( 3.584 -0.484 -2.115) 4.190 2.639 ( -2.433 1.935 -2.894) 4.247 2.889 ( -3.484 1.320 -1.835) 4.153 2.926 ( 6.580 3.134 -4.446) 8.537 3.184 ( 1.656 0.590 0.682) 1.885 3.310 ( 2.912 0.421 -4.889) 5.706 3.857 ( -9.312 -2.422 12.845) 16.049 4.277 ( 7.011 0.097 8.673) 11.153 4.416 ( 2.658 -8.335 8.805) 12.412 4.709 ( 5.009 -3.106 -11.084) 12.554 4.910 ( -2.933 -1.371 -5.954) 6.777 4.973 ( -4.907 -1.317 -4.897) 7.056 5.193 ( 6.608 -1.001 9.444) 11.570 5.554 ( -4.888 -1.692 5.310) 7.413 6.073 ( -1.897 -0.729 -5.916) 6.256 6.289 ( -6.744 -0.074 11.078) 12.970 6.379 ( 3.781 -1.693 -7.430) 8.506 6.863 ( -5.755 1.936 -11.535) 13.035 7.279 ( 1.762 -0.472 -0.850) 2.012 7.341 ( 6.770 -7.696 -1.030) 10.302 8.627 ( -1.820 5.467 11.725) 13.065 9.065 ( 0.722 3.890 -7.749) 8.700 10.234 ( -0.951 -1.122 2.109) 2.571 10.309 ( 0.507 -0.274 -0.999) 1.153 12.322 ( 1.667 -0.600 1.809) 2.532 12.407 ( -2.183 -0.354 -2.244) 3.151 13.986 ( 3.384 4.212 5.784) 7.915 14.263 ( -0.587 6.594 -3.916) 7.692 14.857 ( -6.182 -1.327 4.052) 7.510 14.976 ( 1.143 -3.169 0.200) 3.374 15.087 ( -4.446 -4.155 5.897) 8.474 15.362 ( 16.879 -1.630 -0.320) 16.961 15.662 ( 5.020 1.617 -2.009) 5.643 15.941 ( -10.247 -2.095 -16.566) 19.591 16.909 ( -6.725 -2.447 12.701) 14.578 17.296 ( 1.554 -1.239 -4.294) 4.732 ======================= Grid point 196 (94/140) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 5.875 10.278 7.572) 14.053 0.985 ( 5.064 7.523 10.495) 13.870 1.258 ( 5.307 5.850 -5.436) 9.588 1.300 ( 0.393 5.389 -4.808) 7.232 1.606 ( 4.316 3.045 14.217) 15.166 1.740 ( 0.485 -4.326 -1.134) 4.498 1.845 ( -1.104 2.166 -2.321) 3.361 1.883 ( -0.907 1.130 2.864) 3.210 1.934 ( 3.673 -1.818 1.795) 4.474 2.152 ( -0.353 -2.901 -2.713) 3.988 2.225 ( 0.668 -0.789 0.698) 1.248 2.404 ( -0.976 -3.278 -2.497) 4.235 2.603 ( 5.397 0.664 -4.230) 6.889 2.663 ( 4.515 -0.206 -3.094) 5.477 2.835 ( 0.379 2.381 0.730) 2.519 3.119 ( 11.732 -0.042 -1.070) 11.781 3.219 ( 7.636 1.008 -4.526) 8.934 3.350 ( 2.591 1.063 -5.797) 6.438 3.666 ( -14.455 -2.256 11.950) 18.890 4.362 ( 2.739 -0.440 -0.571) 2.832 4.639 ( 7.627 -4.224 10.160) 13.388 4.681 ( -4.668 -1.654 -4.883) 6.955 4.882 ( 0.626 -2.640 -3.166) 4.169 5.030 ( 7.849 0.941 -3.382) 8.599 5.352 ( 4.524 -1.760 8.079) 9.425 5.481 ( -1.585 0.472 8.333) 8.495 6.061 ( 0.939 -4.770 -12.303) 13.229 6.243 ( -1.728 -0.699 9.633) 9.812 6.456 ( 4.822 1.101 -3.303) 5.948 6.806 ( -0.696 -2.633 -5.541) 6.174 7.317 ( 5.256 4.166 -6.178) 9.119 7.545 ( 6.229 -8.295 -3.459) 10.935 8.529 ( -4.921 5.130 13.083) 14.889 9.027 ( 0.651 2.923 -7.903) 8.451 10.152 ( -9.161 -1.234 1.382) 9.346 10.204 ( -10.790 0.450 0.472) 10.810 12.363 ( 1.311 -0.656 1.851) 2.361 12.372 ( -1.386 -0.711 -1.623) 2.249 14.013 ( 2.416 3.083 4.328) 5.837 14.144 ( -3.118 7.940 -6.829) 10.927 14.771 ( -9.424 -2.846 2.297) 10.109 14.881 ( -3.581 0.469 4.399) 5.692 15.185 ( 3.901 -5.726 -1.163) 7.025 15.591 ( -6.972 -0.236 0.817) 7.024 15.708 ( 6.641 -0.198 1.984) 6.934 16.001 ( 21.566 -2.870 -14.469) 26.129 16.783 ( -8.970 -0.049 12.658) 15.514 17.297 ( -2.008 -0.896 -1.967) 2.950 ======================= Grid point 200 (95/140) ======================= q-point: (-0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.455 -0.000 1.039) 1.134 1.217 ( 0.655 -0.000 -0.267) 0.707 1.444 ( -5.284 0.000 -2.723) 5.944 1.480 ( -2.122 0.000 2.033) 2.939 1.623 ( 1.626 -0.000 3.912) 4.237 1.684 ( 3.754 -0.000 5.209) 6.421 1.837 ( 2.072 -0.000 1.323) 2.458 1.936 ( -2.340 0.000 -0.862) 2.494 2.030 ( -0.176 0.000 3.547) 3.551 2.203 ( 0.170 -0.000 -2.956) 2.961 2.421 ( 1.204 -0.000 -0.265) 1.232 2.485 ( -1.049 0.000 -0.710) 1.266 2.685 ( 3.014 -0.000 -2.731) 4.067 2.758 ( -2.645 0.000 7.285) 7.751 3.093 ( -0.586 0.000 1.514) 1.624 3.284 ( -2.086 0.000 -0.156) 2.092 3.403 ( -7.531 0.000 -2.157) 7.834 3.503 ( 2.444 -0.000 -5.524) 6.040 3.971 ( -4.973 0.000 -8.643) 9.972 4.032 ( -6.805 0.000 5.427) 8.704 4.530 ( -12.134 0.000 -4.904) 13.087 4.628 ( -17.898 0.000 8.523) 19.824 5.129 ( -12.914 0.000 12.839) 18.210 5.220 ( -0.883 0.000 -7.768) 7.818 5.297 ( -3.823 0.000 -2.198) 4.410 5.524 ( 3.838 -0.000 8.331) 9.172 5.826 ( 5.139 -0.000 0.862) 5.210 6.438 ( -4.547 0.000 3.588) 5.792 6.737 ( 2.421 -0.000 -5.886) 6.364 7.039 ( -0.893 0.000 3.842) 3.944 7.301 ( -11.598 0.000 5.243) 12.728 7.670 ( -1.119 0.000 -21.063) 21.093 8.671 ( -3.450 0.000 14.337) 14.747 9.008 ( 7.201 -0.000 -10.471) 12.708 9.573 ( 12.989 -0.000 2.001) 13.142 9.709 ( 12.932 -0.000 -3.017) 13.279 12.262 ( -0.405 0.000 -0.320) 0.516 12.502 ( -0.362 0.000 -0.432) 0.564 13.888 ( 3.349 -0.000 6.018) 6.887 14.221 ( 1.347 -0.000 2.080) 2.478 14.537 ( 7.462 -0.000 -2.195) 7.778 15.026 ( 8.119 -0.000 -4.972) 9.520 15.163 ( -2.855 0.000 -6.124) 6.757 15.536 ( -8.909 0.000 7.910) 11.914 16.118 ( -7.293 0.000 0.853) 7.342 16.190 ( -10.968 0.000 -2.137) 11.174 16.863 ( -0.382 0.000 6.236) 6.248 16.870 ( 7.184 -0.000 -3.218) 7.872 ======================= Grid point 202 (96/140) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -1.289 0.068 3.321) 3.563 1.218 ( -1.588 -1.671 1.600) 2.806 1.364 ( -2.227 -0.294 -1.860) 2.916 1.459 ( -0.062 0.098 0.130) 0.174 1.614 ( -1.710 1.002 4.507) 4.924 1.744 ( 2.093 2.139 7.030) 7.640 1.859 ( -2.830 2.754 -1.208) 4.130 1.891 ( 2.327 -0.196 1.429) 2.738 2.082 ( 4.427 2.108 -0.695) 4.952 2.206 ( -0.436 -3.597 -2.636) 4.481 2.409 ( -5.474 1.647 -2.543) 6.257 2.427 ( -1.340 0.822 -3.165) 3.534 2.638 ( -6.513 4.597 5.299) 9.572 2.773 ( 4.237 -1.728 -4.808) 6.637 3.115 ( -0.820 0.682 1.014) 1.472 3.150 ( -11.051 0.285 1.194) 11.119 3.217 ( -10.890 -0.757 2.542) 11.208 3.401 ( -8.154 -0.261 -1.688) 8.331 3.920 ( -4.265 0.335 5.244) 6.768 4.013 ( 8.461 -0.200 -10.950) 13.840 4.328 ( -16.391 -3.650 16.544) 23.573 4.405 ( -0.862 -0.488 -4.323) 4.435 4.988 ( -3.794 -0.618 7.966) 8.845 5.152 ( -5.137 0.370 -4.676) 6.956 5.207 ( -6.327 -1.621 -5.219) 8.360 5.560 ( -1.393 -0.603 10.443) 10.553 5.954 ( 7.182 -0.734 -3.019) 7.826 6.359 ( -4.584 -0.413 1.716) 4.912 6.730 ( -2.357 -0.152 -10.430) 10.694 7.044 ( -11.003 0.136 9.609) 14.609 7.068 ( -2.097 -3.047 5.109) 6.308 7.520 ( -8.712 2.406 -20.220) 22.148 8.695 ( 2.766 1.111 12.400) 12.753 9.096 ( 4.766 0.949 -7.983) 9.346 9.884 ( 18.131 -0.008 -1.076) 18.163 9.948 ( 12.186 -0.445 0.001) 12.194 12.262 ( 0.351 -0.146 0.401) 0.553 12.485 ( -1.198 0.073 -1.727) 2.103 13.964 ( 4.073 1.595 8.851) 9.874 14.271 ( 3.918 0.915 4.252) 5.854 14.660 ( 5.375 -1.318 -1.274) 5.679 15.056 ( -3.678 0.229 -4.944) 6.167 15.174 ( 6.436 3.028 -11.128) 13.207 15.345 ( -11.914 0.759 9.303) 15.135 15.931 ( -10.113 2.948 -1.588) 10.653 16.039 ( -8.432 -7.521 -5.189) 12.434 16.876 ( 0.430 -0.163 8.799) 8.811 17.024 ( 8.452 -1.278 -2.819) 9.001 ======================= Grid point 203 (97/140) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -2.249 4.795 6.746) 8.576 1.209 ( -2.715 -3.058 5.605) 6.938 1.350 ( -0.145 0.954 -0.157) 0.978 1.461 ( 0.793 1.909 -3.196) 3.806 1.588 ( 0.097 1.927 3.226) 3.759 1.730 ( -3.686 -0.691 6.458) 7.468 1.798 ( 1.187 2.089 -2.232) 3.279 1.931 ( 1.315 1.488 2.595) 3.268 2.100 ( 1.090 2.939 -2.392) 3.943 2.204 ( -7.040 -1.090 -2.113) 7.431 2.286 ( -0.861 2.097 -3.022) 3.778 2.327 ( -6.101 2.336 -2.954) 7.170 2.517 ( -2.194 1.164 3.336) 4.159 2.800 ( -5.395 1.335 -6.655) 8.671 2.937 ( -0.518 0.977 -2.845) 3.053 2.999 ( -8.732 -1.650 0.782) 8.920 3.184 ( 0.903 1.199 5.188) 5.401 3.297 ( -2.383 -0.278 -4.624) 5.209 3.888 ( -2.402 -1.241 11.337) 11.655 4.131 ( -3.374 -2.844 11.815) 12.612 4.205 ( 4.233 -3.237 3.850) 6.575 4.482 ( 8.146 -1.755 -9.737) 12.816 4.986 ( -2.545 -0.654 -4.462) 5.179 5.037 ( -4.667 -0.117 1.480) 4.898 5.084 ( -5.199 -2.833 -1.242) 6.049 5.541 ( -3.311 -2.320 7.846) 8.826 6.073 ( 5.200 0.495 -2.210) 5.672 6.289 ( -3.188 -1.371 3.054) 4.623 6.541 ( -14.667 0.623 -6.054) 15.879 6.962 ( 0.335 -2.374 6.678) 7.095 7.095 ( -2.540 -4.188 -3.998) 6.322 7.321 ( -3.574 3.142 -12.687) 13.550 8.744 ( 2.035 3.203 10.768) 11.417 9.142 ( 2.918 2.242 -7.126) 8.020 10.143 ( 7.301 -0.652 1.927) 7.579 10.182 ( 12.755 0.115 -2.332) 12.967 12.279 ( 1.141 -0.281 1.093) 1.605 12.451 ( -1.923 0.152 -2.602) 3.239 14.030 ( 4.062 3.511 9.819) 11.191 14.351 ( 5.153 2.823 4.869) 7.631 14.752 ( 1.340 -5.029 -0.988) 5.298 14.984 ( -2.949 0.447 -4.478) 5.380 15.130 ( -8.749 0.749 7.940) 11.838 15.231 ( 3.087 1.859 -6.905) 7.789 15.742 ( -5.705 2.787 -2.653) 6.882 15.968 ( -6.231 -7.283 -11.493) 14.965 16.897 ( -0.832 -0.945 11.060) 11.132 17.176 ( 6.146 -1.821 -3.224) 7.175 ======================= Grid point 204 (98/140) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 0.931 8.518 9.067) 12.475 1.179 ( -2.586 0.644 9.952) 10.303 1.332 ( 1.282 3.096 -0.392) 3.373 1.416 ( -1.733 3.028 -5.339) 6.378 1.600 ( 2.293 1.948 2.020) 3.623 1.691 ( -2.417 -3.473 2.158) 4.751 1.868 ( 3.628 -2.472 1.901) 4.784 1.925 ( 3.176 5.640 1.160) 6.576 2.063 ( -0.999 7.810 -2.204) 8.176 2.086 ( -3.466 -0.258 -2.218) 4.123 2.162 ( -1.961 1.257 1.143) 2.595 2.319 ( -1.506 -3.604 -3.079) 4.973 2.524 ( 2.544 -0.304 -0.343) 2.585 2.678 ( -2.457 1.937 -1.289) 3.384 2.893 ( -1.283 0.164 -0.418) 1.360 2.999 ( 5.622 2.927 -8.694) 10.759 3.185 ( -0.181 -0.419 1.195) 1.280 3.307 ( 3.093 -0.695 -3.990) 5.096 3.797 ( -11.607 -3.571 14.748) 19.104 4.237 ( 9.499 -3.606 15.112) 18.210 4.332 ( 3.988 -0.865 4.539) 6.103 4.662 ( 8.413 -1.854 -14.389) 16.771 4.874 ( -5.706 -2.004 -5.537) 8.199 4.919 ( -5.554 -3.669 -5.363) 8.548 5.185 ( 8.237 0.144 8.230) 11.644 5.503 ( -4.629 -3.191 3.219) 6.478 6.090 ( -2.273 2.145 -1.363) 3.409 6.284 ( -9.490 -0.480 6.061) 11.271 6.322 ( 3.052 -3.629 1.047) 4.856 6.899 ( -6.154 1.774 -11.495) 13.159 7.156 ( 4.484 -7.874 0.365) 9.068 7.331 ( 6.370 2.269 -6.011) 9.048 8.730 ( -1.334 4.856 10.796) 11.912 9.135 ( 0.409 3.169 -7.184) 7.862 10.214 ( -1.117 -0.907 2.210) 2.637 10.313 ( 1.359 0.436 -2.107) 2.544 12.311 ( 1.618 -0.429 1.760) 2.428 12.406 ( -2.228 0.112 -2.832) 3.605 14.076 ( 3.502 4.805 9.118) 10.885 14.383 ( 1.611 6.017 0.208) 6.233 14.796 ( -4.527 -5.411 3.034) 7.680 14.928 ( 0.550 -1.487 -2.439) 2.909 15.014 ( -7.239 -3.289 4.791) 9.283 15.333 ( 9.666 -1.285 -1.588) 9.880 15.691 ( 2.894 1.367 -2.441) 4.025 15.892 ( -4.322 -2.667 -16.453) 17.219 16.881 ( -4.129 -0.678 12.433) 13.118 17.261 ( 1.492 -1.970 -3.401) 4.204 ======================= Grid point 205 (99/140) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 6.605 7.354 6.611) 11.892 1.139 ( 0.424 6.936 9.742) 11.967 1.341 ( 1.087 3.206 -5.199) 6.204 1.372 ( 1.271 0.363 0.097) 1.325 1.623 ( 1.610 -0.012 2.158) 2.693 1.690 ( -1.355 -0.956 0.241) 1.676 1.898 ( 0.405 2.243 -1.362) 2.655 1.933 ( -0.095 2.717 0.318) 2.737 1.986 ( 4.218 8.957 3.721) 10.576 2.104 ( 1.823 -2.395 -0.718) 3.094 2.201 ( 4.142 -1.003 2.041) 4.725 2.317 ( -1.337 -4.652 -2.299) 5.359 2.592 ( 3.356 -1.001 -1.753) 3.916 2.697 ( 7.012 2.632 -3.695) 8.352 2.876 ( 0.322 1.889 -0.782) 2.070 3.131 ( 8.198 1.326 0.361) 8.312 3.217 ( 7.475 -1.836 -6.407) 10.015 3.367 ( 2.830 0.881 -4.305) 5.227 3.615 ( -12.536 -2.770 12.576) 17.971 4.351 ( 0.452 -0.657 -1.305) 1.530 4.552 ( 12.976 -4.343 13.414) 19.162 4.659 ( -4.306 -0.494 -6.151) 7.525 4.823 ( -1.972 -3.371 -3.182) 5.038 5.013 ( 9.421 -2.639 -6.931) 11.990 5.331 ( 2.836 -0.384 6.011) 6.658 5.471 ( 1.238 -1.437 6.518) 6.789 6.006 ( -1.670 -0.881 -8.491) 8.698 6.223 ( -1.872 -1.367 8.291) 8.609 6.435 ( 4.277 -2.781 6.334) 8.133 6.787 ( -2.342 0.534 -8.360) 8.698 7.337 ( 6.824 -6.951 -5.178) 11.032 7.443 ( 8.658 2.707 -7.159) 11.555 8.635 ( -5.191 5.497 12.295) 14.434 9.087 ( -0.576 3.091 -7.197) 7.854 10.128 ( -9.022 -1.199 1.120) 9.170 10.217 ( -10.193 0.795 -0.886) 10.262 12.351 ( 1.564 -0.524 2.041) 2.624 12.363 ( -1.619 -0.203 -2.261) 2.788 14.090 ( 1.506 4.780 7.185) 8.760 14.300 ( -2.315 8.056 -5.451) 9.999 14.711 ( -8.681 -3.347 1.720) 9.461 14.883 ( -3.372 -0.146 4.657) 5.752 15.067 ( 2.980 -6.674 -1.839) 7.537 15.541 ( 4.715 -4.113 3.088) 6.977 15.725 ( 2.763 1.521 -2.889) 4.277 15.948 ( 13.940 -2.404 -13.483) 19.542 16.792 ( -6.898 0.886 11.992) 13.863 17.264 ( -2.656 -2.247 -2.140) 4.084 ======================= Grid point 206 (100/140) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 4.690 11.002 4.847) 12.905 1.148 ( 5.824 2.926 5.980) 8.846 1.316 ( 0.179 1.214 -2.712) 2.977 1.392 ( 2.024 3.931 -1.250) 4.594 1.664 ( -2.176 -1.738 1.713) 3.269 1.693 ( 1.870 -5.188 2.448) 6.034 1.833 ( -0.711 3.117 -4.102) 5.201 1.978 ( 2.616 4.831 3.397) 6.459 2.007 ( 3.964 0.069 -0.846) 4.053 2.115 ( -0.129 0.099 0.026) 0.165 2.301 ( 5.384 1.122 3.350) 6.440 2.352 ( 0.458 -2.941 0.346) 2.997 2.640 ( 0.665 -0.718 -1.277) 1.609 2.779 ( 2.876 3.425 -5.255) 6.901 2.931 ( 7.872 1.352 1.270) 8.087 3.173 ( 0.847 -0.596 -0.522) 1.160 3.338 ( -6.229 -0.486 2.663) 6.792 3.486 ( -1.062 1.096 0.984) 1.816 3.565 ( 23.014 -1.555 -3.821) 23.380 4.389 ( 2.183 -2.764 -10.205) 10.795 4.569 ( -2.793 -1.247 -1.694) 3.497 4.719 ( 0.712 0.286 4.626) 4.690 4.956 ( 9.945 -4.500 6.497) 12.703 5.182 ( 7.535 -0.776 -1.311) 7.688 5.289 ( -4.909 -1.177 3.357) 6.062 5.638 ( 11.379 -0.240 10.714) 15.631 6.038 ( 0.757 -3.278 -7.788) 8.483 6.216 ( -0.435 -1.416 7.146) 7.298 6.562 ( 5.960 -1.957 4.630) 7.796 6.758 ( 0.481 -0.363 -6.465) 6.493 7.497 ( 6.816 -0.279 -11.192) 13.107 7.548 ( 3.796 -0.411 -6.414) 7.465 8.496 ( -5.455 4.276 14.049) 15.666 9.062 ( 2.361 1.641 -7.772) 8.286 9.909 ( -16.301 0.144 1.554) 16.375 9.967 ( -13.557 -0.424 -0.890) 13.593 12.331 ( -1.288 -0.437 -2.242) 2.623 12.398 ( 1.961 -0.582 2.719) 3.402 14.071 ( -0.251 3.226 2.921) 4.359 14.146 ( -3.785 7.961 -6.457) 10.927 14.550 ( -10.113 -1.532 0.444) 10.238 14.893 ( 1.657 -0.235 2.963) 3.403 15.116 ( -3.801 -5.314 1.629) 6.734 15.554 ( 2.378 3.035 -1.105) 4.011 15.895 ( 11.262 -0.915 4.930) 12.328 16.283 ( 15.646 -6.724 -10.561) 20.039 16.671 ( -5.913 1.486 9.112) 10.963 17.204 ( -5.797 -2.130 -0.273) 6.182 ======================= Grid point 211 (101/140) ======================= q-point: (-0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -0.351 0.000 6.946) 6.954 1.167 ( -2.181 0.000 4.651) 5.137 1.350 ( 0.859 -0.000 -1.574) 1.793 1.477 ( 1.206 -0.000 -2.795) 3.044 1.609 ( 0.170 -0.000 4.459) 4.462 1.719 ( -5.977 0.000 8.559) 10.439 1.831 ( -2.324 0.000 -0.654) 2.415 1.949 ( 3.697 -0.000 -0.166) 3.701 2.145 ( -1.360 0.000 -3.193) 3.471 2.151 ( -1.742 0.000 -2.308) 2.891 2.294 ( -4.698 0.000 -2.155) 5.169 2.389 ( -3.032 0.000 -5.499) 6.280 2.537 ( -4.557 0.000 5.107) 6.844 2.813 ( -4.499 0.000 -7.028) 8.345 2.950 ( 0.015 -0.000 -1.502) 1.502 2.975 ( -8.184 0.000 -0.816) 8.224 3.196 ( 0.650 -0.000 5.608) 5.646 3.290 ( -3.560 0.000 -3.899) 5.280 3.873 ( -3.718 0.000 12.590) 13.127 4.091 ( -6.889 0.000 16.642) 18.012 4.186 ( 9.598 -0.000 -1.785) 9.762 4.465 ( 7.827 -0.000 -9.806) 12.546 4.980 ( -2.487 0.000 -4.568) 5.201 5.032 ( -9.948 0.000 -6.973) 12.148 5.060 ( -0.065 0.000 6.768) 6.768 5.517 ( -3.744 0.000 7.989) 8.823 6.079 ( 6.442 -0.000 -3.205) 7.195 6.274 ( -4.279 0.000 4.062) 5.900 6.547 ( -14.813 0.000 -6.272) 16.086 6.938 ( 0.424 -0.000 11.647) 11.654 7.055 ( -1.794 0.000 -6.224) 6.477 7.353 ( -4.633 0.000 -14.623) 15.340 8.776 ( 2.464 -0.000 10.384) 10.672 9.164 ( 3.053 -0.000 -6.944) 7.585 10.136 ( 7.308 -0.000 2.037) 7.587 10.183 ( 12.961 -0.000 -2.721) 13.244 12.277 ( 1.139 -0.000 1.110) 1.591 12.453 ( -1.891 0.000 -2.777) 3.360 14.067 ( 4.266 -0.000 11.477) 12.244 14.384 ( 6.596 -0.000 7.284) 9.827 14.693 ( -0.565 0.000 -2.927) 2.981 14.989 ( -2.892 0.000 -5.350) 6.082 15.137 ( -11.593 0.000 9.284) 14.852 15.250 ( 2.611 -0.000 -9.454) 9.808 15.806 ( -7.272 0.000 -2.043) 7.553 15.858 ( -2.194 0.000 -11.972) 12.172 16.889 ( -0.733 0.000 11.064) 11.088 17.158 ( 6.354 -0.000 -2.968) 7.013 ======================= Grid point 213 (102/140) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 2.393 2.808 7.307) 8.186 1.153 ( -2.200 -0.025 8.328) 8.614 1.368 ( 1.240 0.695 -0.795) 1.629 1.456 ( -2.818 0.810 -4.223) 5.141 1.622 ( 0.440 0.306 5.411) 5.437 1.633 ( -3.052 -1.685 5.595) 6.593 1.831 ( 3.611 -1.120 0.398) 3.802 2.009 ( 2.920 2.649 0.176) 3.947 2.073 ( -1.467 -0.792 -7.046) 7.240 2.117 ( -0.943 0.883 -1.480) 1.964 2.265 ( -1.374 -1.456 -0.821) 2.164 2.302 ( -1.990 6.443 -1.495) 6.907 2.521 ( 1.625 -0.097 1.170) 2.005 2.706 ( -2.118 0.851 -0.612) 2.363 2.903 ( 0.241 0.743 0.049) 0.783 3.013 ( 3.645 -1.116 -10.953) 11.598 3.179 ( -2.325 0.013 2.929) 3.740 3.292 ( 4.340 -0.570 -3.100) 5.363 3.741 ( -11.655 -1.680 16.483) 20.257 4.189 ( 11.066 -1.176 14.662) 18.407 4.328 ( 4.010 -0.022 5.150) 6.527 4.638 ( 11.265 -0.623 -17.015) 20.416 4.845 ( -7.901 -0.749 -5.111) 9.440 4.859 ( -6.515 -1.988 -5.199) 8.569 5.193 ( 9.515 0.414 7.695) 12.244 5.452 ( -4.928 -1.653 2.673) 5.845 6.144 ( 0.189 3.125 -0.764) 3.223 6.239 ( -4.415 -3.624 -5.404) 7.863 6.286 ( -6.337 -0.271 14.657) 15.971 6.933 ( -5.828 1.690 -11.581) 13.074 7.037 ( 4.473 -4.117 2.512) 6.578 7.366 ( 7.190 1.036 -9.261) 11.770 8.798 ( -1.076 1.957 10.020) 10.266 9.179 ( 0.275 1.232 -6.894) 7.008 10.201 ( -1.220 -0.347 2.367) 2.686 10.320 ( 1.730 0.244 -2.819) 3.316 12.306 ( 1.604 -0.146 1.794) 2.411 12.408 ( -2.248 0.094 -3.176) 3.893 14.151 ( 3.776 2.376 12.123) 12.917 14.498 ( 4.734 5.678 5.798) 9.395 14.671 ( -2.916 -6.436 -0.371) 7.075 14.912 ( -3.547 -0.424 -8.318) 9.052 14.969 ( -8.017 -1.176 6.984) 10.697 15.315 ( 6.133 -0.487 -2.508) 6.644 15.712 ( -0.628 0.690 -2.202) 2.391 15.851 ( 1.372 -1.291 -16.210) 16.319 16.875 ( -2.989 -0.079 11.751) 12.126 17.232 ( 1.394 -0.880 -2.721) 3.181 ======================= Grid point 214 (103/140) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 1.251 3.011 7.164) 7.871 1.199 ( 2.107 -0.114 6.910) 7.225 1.369 ( -3.669 1.166 -3.030) 4.899 1.391 ( 2.582 1.459 -0.981) 3.123 1.616 ( -0.666 0.372 3.154) 3.245 1.685 ( 3.803 -0.992 2.588) 4.706 1.936 ( 3.710 1.032 1.049) 3.991 1.997 ( -0.550 2.699 -0.930) 2.907 2.040 ( -0.466 -0.470 0.680) 0.949 2.174 ( 3.450 2.581 -6.645) 7.920 2.220 ( 3.322 4.256 2.103) 5.795 2.251 ( 0.383 0.359 0.265) 0.588 2.579 ( 3.601 -0.407 0.040) 3.624 2.741 ( 7.014 1.692 -2.699) 7.703 2.914 ( 1.779 2.517 -0.842) 3.195 3.134 ( 4.134 -6.416 -5.566) 9.447 3.160 ( 5.716 1.352 1.655) 6.102 3.389 ( 5.174 1.330 -4.061) 6.711 3.571 ( -9.986 -1.649 12.552) 16.124 4.340 ( -1.280 -0.435 -2.574) 2.907 4.485 ( 14.518 -2.374 15.127) 21.101 4.664 ( -4.588 1.030 -6.574) 8.083 4.759 ( -2.481 -3.171 -4.031) 5.697 4.948 ( 11.268 -3.383 -8.575) 14.558 5.335 ( -0.175 0.737 3.800) 3.874 5.434 ( 5.840 -2.169 5.281) 8.167 6.019 ( -4.280 1.778 -5.617) 7.282 6.192 ( -2.368 -1.800 3.882) 4.890 6.376 ( 5.245 -2.692 15.340) 16.433 6.810 ( -3.103 1.453 -9.664) 10.253 7.191 ( 6.056 -6.331 -2.124) 9.015 7.514 ( 11.518 3.026 -11.544) 16.586 8.726 ( -5.575 3.573 11.369) 13.157 9.137 ( -1.454 1.998 -6.784) 7.220 10.109 ( -9.045 -0.773 1.062) 9.140 10.231 ( -10.022 0.603 -1.989) 10.235 12.343 ( 1.797 -0.280 2.327) 2.953 12.362 ( -1.971 0.037 -2.931) 3.532 14.184 ( 1.048 4.521 10.740) 11.700 14.445 ( -2.505 6.352 -2.520) 7.279 14.655 ( -5.571 -1.643 1.793) 6.078 14.877 ( -3.237 -0.815 3.461) 4.808 14.927 ( 1.505 -7.333 -4.196) 8.582 15.467 ( 7.064 -2.981 1.494) 7.812 15.753 ( 5.279 1.256 -2.807) 6.109 15.911 ( 8.456 -1.389 -13.055) 15.617 16.810 ( -5.429 0.807 11.034) 12.324 17.222 ( -3.136 -1.844 -1.892) 4.100 ======================= Grid point 215 (104/140) ======================= q-point: (-0.22 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 4.215 0.624 3.376) 5.436 1.236 ( 2.213 3.131 5.992) 7.114 1.304 ( -2.419 -1.642 -1.789) 3.428 1.424 ( 2.041 1.382 -0.938) 2.637 1.621 ( 0.984 0.540 1.485) 1.862 1.717 ( -0.019 3.375 2.088) 3.969 1.908 ( -1.865 4.428 -4.240) 6.408 1.972 ( 2.038 -0.542 2.406) 3.200 2.068 ( -2.079 0.260 0.162) 2.102 2.130 ( -0.241 0.402 -0.415) 0.627 2.306 ( 6.058 1.457 1.892) 6.512 2.337 ( 6.694 1.659 0.599) 6.923 2.635 ( 1.442 0.049 0.334) 1.481 2.842 ( 3.936 2.703 -6.275) 7.885 2.960 ( 6.261 1.755 2.332) 6.907 3.153 ( 0.003 -1.512 0.889) 1.754 3.326 ( -4.532 -0.995 4.147) 6.223 3.501 ( 4.404 0.444 -2.407) 5.038 3.539 ( 17.958 -0.795 -0.290) 17.978 4.338 ( 0.791 -2.254 -10.481) 10.750 4.556 ( -3.029 -0.125 -1.460) 3.364 4.717 ( 2.073 -0.370 2.419) 3.207 4.857 ( 11.602 -5.170 8.104) 15.067 5.146 ( 6.997 -2.589 -6.964) 10.206 5.281 ( -3.659 -0.015 6.727) 7.658 5.631 ( 10.699 -0.437 7.157) 12.879 6.001 ( 1.727 -0.285 -6.519) 6.750 6.172 ( -0.775 -3.124 2.617) 4.148 6.533 ( 6.036 -0.958 15.129) 16.316 6.765 ( 0.960 0.782 -6.896) 7.006 7.354 ( 3.696 -7.782 -5.992) 10.494 7.667 ( 10.711 6.080 -13.422) 18.217 8.574 ( -7.996 3.598 13.700) 16.266 9.094 ( 0.585 1.510 -6.991) 7.176 9.907 ( -13.356 -0.347 -0.394) 13.367 9.963 ( -16.279 0.031 -0.781) 16.298 12.326 ( -1.358 -0.159 -2.476) 2.828 12.387 ( 2.011 -0.444 2.714) 3.407 14.144 ( -1.620 4.299 6.868) 8.262 14.303 ( -4.781 7.340 -6.228) 10.749 14.524 ( -8.339 -0.281 -1.062) 8.412 14.883 ( 1.135 -1.122 3.148) 3.530 14.999 ( -1.135 -6.644 0.260) 6.746 15.583 ( 3.512 -0.209 1.101) 3.686 15.894 ( 11.626 1.278 -0.140) 11.697 16.159 ( 14.027 -5.822 -8.129) 17.226 16.705 ( -5.575 1.769 8.758) 10.531 17.156 ( -5.774 -2.538 -0.584) 6.334 ======================= Grid point 216 (105/140) ======================= q-point: (-0.11 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 2.425 5.341 2.322) 6.308 1.268 ( 4.194 0.515 3.464) 5.464 1.310 ( 0.257 -2.853 0.118) 2.867 1.440 ( 1.925 2.406 -1.659) 3.500 1.623 ( -1.158 0.248 2.322) 2.607 1.673 ( -1.799 -0.137 0.412) 1.851 1.844 ( -0.861 2.420 -1.674) 3.066 1.966 ( -4.192 1.535 -0.538) 4.497 2.059 ( 2.962 -1.808 1.723) 3.875 2.129 ( -1.210 0.215 -1.017) 1.595 2.404 ( 4.241 -1.033 4.320) 6.141 2.438 ( 6.416 3.135 1.049) 7.217 2.622 ( -2.422 0.298 1.907) 3.097 2.836 ( 0.663 4.594 -3.191) 5.632 3.045 ( 2.798 -0.251 0.415) 2.839 3.182 ( 1.197 -1.736 2.336) 3.147 3.240 ( -2.507 1.258 0.214) 2.813 3.557 ( 4.012 2.019 -6.630) 8.009 3.940 ( 17.243 -2.042 -1.520) 17.430 4.322 ( -4.103 -2.520 -6.923) 8.433 4.576 ( 5.339 -1.453 -2.521) 6.080 4.815 ( 9.791 0.727 1.284) 9.901 5.083 ( 3.957 -1.893 9.340) 10.319 5.233 ( 3.133 -2.451 -5.253) 6.589 5.274 ( 1.743 -0.818 4.452) 4.851 5.792 ( -2.255 -3.126 -0.401) 3.875 5.994 ( 4.364 0.182 9.213) 10.196 6.285 ( 5.836 -0.028 6.514) 8.746 6.601 ( -0.378 0.088 4.777) 4.792 6.862 ( 11.029 -1.342 -9.232) 14.446 7.401 ( -5.562 -5.598 -4.838) 9.257 7.726 ( 4.873 8.394 -12.652) 15.946 8.470 ( -1.249 0.435 12.437) 12.507 9.134 ( 6.020 0.197 -8.031) 10.038 9.567 ( -20.704 1.000 3.786) 21.071 9.728 ( -10.387 -1.010 -3.158) 10.904 12.305 ( -0.799 -0.334 -1.937) 2.121 12.433 ( 1.918 -0.473 2.714) 3.357 14.068 ( -4.128 4.674 -2.934) 6.892 14.140 ( -2.513 4.650 -2.345) 5.782 14.383 ( -6.761 -0.757 -0.087) 6.803 14.887 ( -2.727 -1.176 6.370) 7.028 15.059 ( 2.901 -3.225 -0.609) 4.380 15.637 ( 2.647 1.094 2.028) 3.509 16.108 ( 10.790 0.544 1.677) 10.933 16.449 ( 10.940 -5.927 -5.975) 13.803 16.615 ( -3.131 1.912 5.408) 6.535 17.058 ( -7.028 -2.145 0.627) 7.375 ======================= Grid point 222 (106/140) ======================= q-point: ( 0.56 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -0.212 0.000 8.845) 8.848 1.201 ( -0.176 0.000 3.396) 3.401 1.385 ( -3.888 0.000 -3.945) 5.539 1.406 ( 2.457 -0.000 -0.301) 2.475 1.645 ( 3.881 -0.000 3.748) 5.396 1.649 ( 2.282 -0.000 5.409) 5.871 1.937 ( 6.690 -0.000 2.457) 7.127 2.008 ( -1.341 0.000 2.719) 3.031 2.077 ( -2.609 0.000 -2.679) 3.740 2.145 ( 1.128 -0.000 -8.399) 8.474 2.246 ( 3.325 -0.000 1.276) 3.561 2.326 ( 2.115 -0.000 -1.531) 2.611 2.575 ( 3.718 -0.000 0.776) 3.798 2.757 ( 6.681 -0.000 -2.488) 7.130 2.975 ( 3.818 -0.000 0.982) 3.942 3.023 ( 2.381 -0.000 -5.862) 6.327 3.174 ( 4.073 -0.000 2.503) 4.781 3.405 ( 6.725 -0.000 -4.809) 8.268 3.555 ( -9.208 0.000 12.720) 15.703 4.335 ( -1.924 0.000 -3.502) 3.995 4.463 ( 14.765 -0.000 15.954) 21.737 4.688 ( -6.881 0.000 -5.014) 8.514 4.714 ( -0.744 0.000 -6.580) 6.622 4.911 ( 12.306 -0.000 -8.535) 14.976 5.348 ( -5.021 0.000 1.317) 5.191 5.406 ( 11.270 -0.000 6.679) 13.100 6.045 ( -5.472 0.000 -5.447) 7.721 6.168 ( -2.542 0.000 0.909) 2.700 6.348 ( 6.009 -0.000 20.242) 21.116 6.828 ( -3.456 0.000 -9.922) 10.507 7.125 ( 6.091 -0.000 -1.580) 6.293 7.544 ( 12.301 -0.000 -12.496) 17.535 8.761 ( -5.758 0.000 10.957) 12.378 9.158 ( -1.768 0.000 -6.649) 6.880 10.101 ( -9.089 0.000 1.080) 9.153 10.237 ( -9.995 0.000 -2.382) 10.275 12.341 ( 1.841 -0.000 2.407) 3.030 12.363 ( -2.079 0.000 -3.140) 3.766 14.235 ( 1.164 -0.000 13.313) 13.364 14.505 ( -7.328 0.000 -3.817) 8.262 14.666 ( 4.384 -0.000 11.471) 12.280 14.809 ( -4.801 0.000 -15.067) 15.813 14.882 ( -1.571 0.000 4.487) 4.754 15.438 ( 7.130 -0.000 0.784) 7.173 15.766 ( 7.311 -0.000 -2.107) 7.609 15.897 ( 6.043 -0.000 -13.394) 14.694 16.819 ( -4.903 0.000 10.639) 11.715 17.203 ( -3.350 0.000 -1.757) 3.782 ======================= Grid point 224 (107/140) ======================= q-point: (-0.33 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 1.100 -0.477 4.595) 4.749 1.196 ( -0.726 -2.750 2.325) 3.673 1.320 ( -1.412 1.004 -1.994) 2.642 1.450 ( 2.462 0.719 0.103) 2.567 1.677 ( 1.542 3.591 2.911) 4.873 1.744 ( 3.173 -0.774 3.858) 5.055 1.976 ( -1.543 1.382 3.762) 4.294 1.996 ( -2.416 3.403 -3.343) 5.347 2.046 ( 2.649 -1.022 1.837) 3.382 2.095 ( -3.913 -3.182 -4.195) 6.560 2.338 ( 4.404 1.041 -0.235) 4.531 2.405 ( 7.752 3.400 -1.109) 8.537 2.635 ( 1.627 -0.034 1.152) 1.994 2.873 ( 4.945 0.617 -6.051) 7.839 2.999 ( 2.819 1.986 4.007) 5.287 3.112 ( 2.793 -2.335 1.106) 3.804 3.307 ( 0.494 -0.667 4.325) 4.404 3.508 ( 6.362 0.287 -3.960) 7.499 3.534 ( 12.265 -0.038 2.902) 12.604 4.308 ( -0.028 -0.835 -11.104) 11.135 4.562 ( -3.689 0.518 -1.943) 4.201 4.709 ( 2.262 -0.400 -0.836) 2.444 4.779 ( 13.099 -2.368 11.117) 17.343 5.103 ( 7.203 -1.394 -8.045) 10.889 5.281 ( -2.393 -0.039 6.019) 6.478 5.624 ( 10.506 -0.225 5.607) 11.911 6.026 ( 2.837 2.581 -6.089) 7.196 6.103 ( -2.772 -3.749 0.127) 4.664 6.523 ( 8.000 -0.183 21.024) 22.496 6.779 ( -0.356 0.492 -5.632) 5.665 7.243 ( 5.052 -3.184 -6.823) 9.067 7.749 ( 11.945 2.231 -14.572) 18.973 8.624 ( -9.579 1.407 13.298) 16.449 9.115 ( -0.519 0.627 -6.649) 6.698 9.900 ( -11.741 -0.271 -1.294) 11.815 9.966 ( -17.850 0.116 -0.925) 17.874 12.324 ( -1.495 -0.032 -2.699) 3.086 12.381 ( 2.021 -0.160 2.749) 3.415 14.222 ( -2.657 3.055 10.903) 11.630 14.368 ( -6.648 -0.339 -2.881) 7.253 14.600 ( -6.045 7.941 -8.136) 12.876 14.795 ( -1.805 -8.248 3.709) 9.222 14.918 ( 3.746 -1.067 1.030) 4.029 15.564 ( 5.119 -0.920 2.086) 5.604 15.941 ( 11.910 2.831 -2.214) 12.440 16.064 ( 12.010 -3.765 -7.568) 14.686 16.730 ( -5.429 0.729 8.427) 10.051 17.119 ( -5.675 -1.136 -0.729) 5.833 ======================= Grid point 225 (108/140) ======================= q-point: (-0.22 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.111 -3.121 0.478) 3.159 1.223 ( -1.170 -4.905 0.939) 5.130 1.327 ( 3.461 2.181 2.750) 4.929 1.484 ( 2.429 1.435 -0.045) 2.822 1.643 ( -2.060 1.564 2.287) 3.453 1.742 ( -1.752 5.303 0.501) 5.607 1.899 ( -2.330 2.617 0.301) 3.517 1.974 ( -2.526 -0.848 -1.400) 3.010 2.034 ( 0.840 -0.530 1.959) 2.196 2.135 ( 2.618 0.412 -0.779) 2.762 2.384 ( 1.455 -0.709 1.583) 2.264 2.498 ( 4.778 2.773 -0.399) 5.539 2.625 ( -2.619 -0.224 2.222) 3.442 2.909 ( 1.595 2.488 -3.259) 4.400 3.051 ( 2.571 1.070 2.944) 4.052 3.150 ( 0.483 -1.573 2.522) 3.011 3.265 ( -1.476 1.118 0.126) 1.856 3.590 ( 3.656 1.379 -6.293) 7.407 3.901 ( 18.003 -1.820 -0.781) 18.112 4.280 ( -3.268 -1.634 -6.244) 7.234 4.553 ( 4.328 -0.787 -1.864) 4.777 4.831 ( 11.320 0.788 -1.866) 11.500 5.033 ( 8.288 -2.514 8.873) 12.400 5.184 ( 3.062 -2.351 -6.397) 7.472 5.274 ( -0.153 0.449 7.245) 7.260 5.747 ( -3.475 -1.500 -0.877) 3.886 5.999 ( 4.221 0.405 9.097) 10.036 6.258 ( 10.609 -2.133 -3.475) 11.365 6.642 ( 1.435 3.568 11.447) 12.076 6.821 ( 6.114 -3.003 -1.458) 6.966 7.311 ( -1.147 -3.384 -8.572) 9.287 7.859 ( 5.129 5.051 -14.415) 16.113 8.478 ( -5.212 0.291 13.792) 14.747 9.138 ( 5.073 0.169 -7.417) 8.987 9.586 ( -20.903 0.796 2.377) 21.053 9.708 ( -9.523 -0.920 -3.427) 10.163 12.300 ( -0.873 -0.222 -2.069) 2.257 12.426 ( 1.985 -0.290 2.721) 3.381 14.140 ( -3.505 3.527 4.468) 6.685 14.240 ( -5.896 2.800 -3.833) 7.569 14.390 ( -7.666 2.924 -6.108) 10.229 14.825 ( -2.626 -5.033 7.710) 9.574 15.017 ( 5.168 -1.020 -0.591) 5.301 15.640 ( 1.834 -0.528 3.069) 3.614 16.137 ( 11.574 2.561 -1.073) 11.903 16.340 ( 12.514 -5.168 -4.820) 14.372 16.646 ( -3.447 1.094 5.494) 6.577 17.021 ( -5.927 -1.492 0.276) 6.118 ======================= Grid point 226 (109/140) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -1.832 -5.435 1.012) 5.824 1.276 ( 0.703 -5.623 -0.047) 5.667 1.368 ( 2.617 3.958 2.801) 5.510 1.516 ( 2.517 1.498 -0.340) 2.949 1.600 ( -2.819 -0.439 1.628) 3.285 1.632 ( -3.177 4.030 0.338) 5.143 1.847 ( -0.773 2.269 1.812) 3.005 1.916 ( -2.024 1.364 -1.693) 2.970 2.088 ( 1.615 -0.742 2.027) 2.696 2.112 ( -2.179 3.293 0.047) 3.949 2.437 ( 0.662 -4.163 3.365) 5.394 2.516 ( -0.975 0.190 1.523) 1.818 2.593 ( -0.123 0.104 2.141) 2.147 2.874 ( -1.314 4.531 -1.398) 4.921 3.072 ( 0.583 0.334 1.317) 1.479 3.208 ( 2.791 -1.133 3.782) 4.835 3.271 ( 4.889 1.267 -6.883) 8.537 3.576 ( -2.445 0.580 -9.863) 10.178 4.098 ( 2.113 -1.046 -1.850) 2.997 4.213 ( -4.587 -1.448 0.418) 4.828 4.728 ( 9.311 -1.386 0.698) 9.439 5.055 ( 12.616 1.903 -0.635) 12.775 5.105 ( -1.040 1.304 3.422) 3.807 5.272 ( -0.632 -1.866 3.639) 4.138 5.320 ( 8.019 -1.912 -3.976) 9.153 5.573 ( -11.719 -1.434 -1.870) 11.954 6.205 ( 11.993 -1.253 10.919) 16.268 6.331 ( -7.268 4.256 15.441) 17.588 6.622 ( 1.660 1.608 -3.041) 3.819 7.030 ( 11.153 -6.611 -9.565) 16.112 7.253 ( -3.953 -0.699 -3.294) 5.193 7.789 ( -4.023 6.284 -11.738) 13.908 8.521 ( 6.550 -2.594 6.469) 9.565 9.187 ( -18.257 0.963 4.105) 18.737 9.286 ( 8.653 -0.185 -4.973) 9.982 9.567 ( -5.521 -0.057 -3.229) 6.397 12.287 ( -0.547 -0.331 -1.403) 1.541 12.466 ( 1.539 -0.300 2.298) 2.782 14.011 ( -5.895 4.976 -5.729) 9.609 14.133 ( -1.108 1.286 -0.781) 1.869 14.280 ( -3.326 -1.276 0.796) 3.650 14.835 ( -1.181 -2.813 7.860) 8.431 15.108 ( 3.410 -0.754 -1.688) 3.879 15.653 ( -1.809 -0.770 4.147) 4.590 16.283 ( 5.642 1.975 0.084) 5.978 16.576 ( 7.636 -3.686 -2.991) 8.991 16.605 ( -0.070 1.378 1.597) 2.111 16.939 ( -3.159 -0.107 1.108) 3.349 ======================= Grid point 233 (110/140) ======================= q-point: ( 0.67 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -2.234 0.000 2.635) 3.454 1.171 ( 0.334 -0.000 -0.672) 0.750 1.347 ( 3.359 -0.000 1.311) 3.606 1.495 ( 1.816 -0.000 0.740) 1.961 1.659 ( -3.841 0.000 2.708) 4.699 1.806 ( -0.126 0.000 1.600) 1.605 1.926 ( -3.104 0.000 2.435) 3.945 1.961 ( -2.791 0.000 -3.933) 4.823 2.028 ( 0.945 -0.000 1.245) 1.563 2.142 ( 5.805 -0.000 0.126) 5.807 2.378 ( -0.587 0.000 0.406) 0.714 2.528 ( 3.201 -0.000 -1.010) 3.357 2.620 ( -2.979 0.000 1.393) 3.288 2.930 ( 1.937 -0.000 -2.646) 3.279 3.072 ( 4.423 -0.000 5.453) 7.022 3.128 ( -1.194 0.000 0.603) 1.338 3.277 ( -1.054 0.000 0.596) 1.210 3.605 ( 3.458 -0.000 -6.163) 7.067 3.881 ( 18.397 -0.000 -0.455) 18.403 4.264 ( -2.969 0.000 -5.944) 6.644 4.546 ( 3.661 -0.000 -1.678) 4.028 4.840 ( 12.351 -0.000 -4.040) 12.995 5.007 ( 9.941 -0.000 10.368) 14.364 5.158 ( 2.457 -0.000 -7.004) 7.423 5.279 ( -0.230 0.000 7.569) 7.573 5.733 ( -3.865 0.000 -0.605) 3.912 6.005 ( 3.428 -0.000 9.039) 9.667 6.232 ( 12.232 -0.000 -7.031) 14.109 6.700 ( 6.998 -0.000 17.966) 19.281 6.769 ( -0.490 0.000 -2.331) 2.382 7.278 ( 0.963 -0.000 -10.597) 10.641 7.909 ( 5.406 -0.000 -15.143) 16.079 8.481 ( -6.831 0.000 14.261) 15.812 9.139 ( 4.687 -0.000 -7.238) 8.623 9.594 ( -21.212 0.000 1.852) 21.293 9.698 ( -8.975 0.000 -3.527) 9.643 12.298 ( -0.940 0.000 -2.143) 2.340 12.423 ( 2.005 -0.000 2.722) 3.380 14.190 ( -3.764 0.000 9.597) 10.309 14.240 ( -5.841 0.000 -3.745) 6.939 14.453 ( -10.410 0.000 -14.279) 17.671 14.753 ( -0.401 0.000 10.925) 10.932 15.009 ( 5.614 -0.000 -0.075) 5.614 15.632 ( 1.822 -0.000 3.241) 3.718 16.182 ( 11.031 -0.000 -0.807) 11.061 16.272 ( 13.574 -0.000 -5.585) 14.678 16.656 ( -3.794 0.000 5.482) 6.667 17.006 ( -5.275 0.000 0.144) 5.277 ======================= Grid point 235 (111/140) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -4.028 -3.385 2.467) 5.811 1.196 ( 0.926 -2.209 -1.099) 2.636 1.420 ( 3.853 1.413 2.416) 4.762 1.505 ( -1.737 -0.913 1.655) 2.568 1.592 ( -3.348 -0.361 1.892) 3.862 1.731 ( -2.807 3.643 -1.382) 4.802 1.894 ( -1.235 2.028 1.810) 2.986 1.921 ( -1.037 -0.633 -1.528) 1.952 2.082 ( 3.561 -0.049 1.846) 4.011 2.202 ( 0.356 5.068 0.511) 5.107 2.351 ( -2.818 -4.500 1.765) 5.595 2.521 ( -2.518 0.222 2.854) 3.813 2.579 ( -1.252 -0.880 -0.992) 1.824 2.935 ( -0.796 1.644 0.258) 1.845 3.093 ( -0.594 1.149 1.081) 1.685 3.187 ( 4.875 -0.875 4.159) 6.467 3.290 ( 3.978 0.583 -6.569) 7.701 3.584 ( -3.695 0.190 -10.040) 10.700 4.083 ( 3.039 -0.437 -2.162) 3.755 4.192 ( -4.418 -0.587 1.883) 4.838 4.708 ( 9.556 -0.563 1.647) 9.713 5.069 ( 9.942 -0.135 -4.365) 10.859 5.151 ( 5.083 3.228 5.094) 7.887 5.234 ( 1.946 -2.620 1.593) 3.632 5.288 ( 4.970 -0.803 -0.776) 5.094 5.555 ( -10.267 -0.487 -1.764) 10.429 6.189 ( 11.002 -0.395 10.486) 15.204 6.368 ( -1.866 0.277 8.256) 8.469 6.704 ( -0.550 5.991 -1.046) 6.106 6.887 ( 6.420 -7.299 1.123) 9.785 7.249 ( -0.548 0.035 -8.550) 8.567 7.881 ( -4.385 2.752 -14.550) 15.444 8.482 ( 4.823 -1.238 8.717) 10.038 9.200 ( -18.328 0.376 3.699) 18.701 9.284 ( 9.060 -0.037 -5.017) 10.356 9.565 ( -4.702 -0.110 -3.674) 5.968 12.282 ( -0.566 -0.178 -1.454) 1.570 12.462 ( 1.649 -0.115 2.287) 2.822 14.095 ( -5.820 3.657 -3.453) 7.692 14.151 ( -3.612 -0.724 1.763) 4.084 14.269 ( -5.382 0.417 -4.409) 6.970 14.776 ( -0.164 -2.377 8.808) 9.125 15.103 ( 4.028 0.000 -0.843) 4.115 15.636 ( -2.367 -0.641 4.208) 4.870 16.328 ( 5.548 2.235 1.025) 6.068 16.504 ( 8.734 -2.986 -4.519) 10.277 16.621 ( 0.059 0.352 1.639) 1.678 16.942 ( -0.728 0.237 0.717) 1.049 ======================= Grid point 236 (112/140) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -4.577 -7.661 2.946) 9.398 1.229 ( -0.722 -4.100 -1.143) 4.317 1.381 ( -6.613 0.879 2.466) 7.113 1.520 ( 0.061 -0.893 2.520) 2.675 1.548 ( -0.238 -0.491 0.833) 0.996 1.683 ( 2.053 5.247 -1.189) 5.759 1.861 ( -0.674 0.778 1.548) 1.859 1.908 ( -0.141 1.527 -0.094) 1.537 2.073 ( -6.175 6.279 2.983) 9.298 2.147 ( 3.486 0.568 0.270) 3.543 2.339 ( -5.459 -6.060 3.649) 8.936 2.498 ( -0.801 -0.324 0.859) 1.218 2.600 ( 2.345 -2.578 -1.381) 3.749 2.858 ( -4.927 3.352 1.502) 6.146 3.090 ( 0.653 0.685 1.724) 1.966 3.236 ( 0.191 -0.406 2.496) 2.536 3.425 ( 9.219 0.881 -10.367) 13.901 3.470 ( -4.613 -0.900 -9.710) 10.788 4.052 ( -5.501 -0.106 -0.597) 5.534 4.122 ( -4.622 -0.978 4.715) 6.675 4.713 ( -10.228 -0.685 -0.339) 10.257 5.092 ( -4.076 2.628 -0.967) 4.945 5.205 ( -0.090 -1.208 -0.837) 1.472 5.295 ( 6.106 1.102 7.149) 9.466 5.461 ( 5.556 0.857 -1.968) 5.957 5.472 ( 3.734 0.287 -2.759) 4.652 6.139 ( -16.975 4.240 16.548) 24.083 6.401 ( 6.409 -1.993 11.163) 13.025 6.660 ( 1.892 2.806 -8.088) 8.767 7.078 ( 4.043 -9.426 -2.280) 10.507 7.293 ( 7.149 1.613 -7.889) 10.768 7.675 ( -10.808 4.354 -12.442) 17.046 8.670 ( 10.848 -2.982 -1.728) 11.382 8.870 ( -15.904 0.574 10.208) 18.907 9.497 ( 11.001 0.814 -4.302) 11.840 9.528 ( 3.994 0.256 -2.117) 4.528 12.274 ( -0.356 -0.281 -0.762) 0.886 12.490 ( 0.884 -0.069 1.491) 1.735 13.936 ( -5.235 3.383 -5.512) 8.320 14.123 ( -0.131 -0.519 -0.358) 0.644 14.237 ( 0.479 -2.581 2.395) 3.554 14.823 ( 1.428 -2.552 7.310) 7.873 15.148 ( 1.209 0.436 -1.877) 2.275 15.569 ( -6.613 -1.381 5.145) 8.492 16.339 ( -2.326 2.289 3.477) 4.769 16.570 ( -2.950 -0.925 -2.230) 3.811 16.683 ( 6.241 -0.639 -3.499) 7.183 16.997 ( 7.093 2.650 0.023) 7.572 ======================= Grid point 244 (113/140) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -6.056 0.000 4.105) 7.316 1.189 ( -0.500 0.000 -1.811) 1.879 1.388 ( -9.084 0.000 3.775) 9.837 1.505 ( 3.329 -0.000 2.649) 4.254 1.544 ( -1.617 0.000 0.422) 1.671 1.744 ( 1.880 -0.000 -0.736) 2.019 1.856 ( -2.869 0.000 -2.607) 3.877 1.934 ( 1.054 -0.000 3.096) 3.271 2.152 ( 2.473 -0.000 1.711) 3.007 2.199 ( -6.701 0.000 2.312) 7.089 2.222 ( -3.588 0.000 2.634) 4.451 2.497 ( -1.154 0.000 0.321) 1.198 2.567 ( 2.083 -0.000 -2.154) 2.996 2.891 ( -5.302 0.000 2.300) 5.779 3.098 ( 0.589 -0.000 1.158) 1.299 3.233 ( -0.069 0.000 3.109) 3.110 3.435 ( 11.585 -0.000 -10.275) 15.485 3.458 ( -7.232 0.000 -10.282) 12.570 4.052 ( -5.261 0.000 -1.343) 5.430 4.111 ( -4.662 0.000 6.283) 7.824 4.707 ( -9.946 0.000 -0.332) 9.952 5.119 ( -3.985 0.000 -2.078) 4.495 5.192 ( -0.084 0.000 0.576) 0.582 5.310 ( 5.682 -0.000 8.492) 10.218 5.459 ( 10.261 -0.000 -8.471) 13.306 5.481 ( 2.776 -0.000 1.645) 3.227 6.184 ( -17.441 0.000 15.683) 23.456 6.378 ( 6.320 -0.000 11.621) 13.229 6.710 ( 0.112 -0.000 -8.740) 8.741 6.961 ( 5.030 -0.000 -1.485) 5.245 7.310 ( 7.400 -0.000 -6.417) 9.795 7.722 ( -10.745 0.000 -14.765) 18.260 8.638 ( 10.508 -0.000 -0.550) 10.523 8.876 ( -16.073 0.000 10.050) 18.956 9.508 ( 13.924 -0.000 -5.542) 14.986 9.528 ( 1.803 -0.000 -1.312) 2.230 12.271 ( -0.329 0.000 -0.758) 0.826 12.490 ( 0.996 -0.000 1.472) 1.778 13.978 ( -6.352 0.000 -7.087) 9.517 14.114 ( -0.929 0.000 3.384) 3.509 14.211 ( -0.524 0.000 0.671) 0.851 14.794 ( 1.866 -0.000 7.533) 7.761 15.153 ( 1.473 -0.000 -1.355) 2.001 15.554 ( -6.743 0.000 5.025) 8.409 16.367 ( -3.099 0.000 5.683) 6.473 16.550 ( -0.900 0.000 -4.396) 4.487 16.680 ( 5.976 -0.000 -3.297) 6.825 17.024 ( 8.179 -0.000 -0.791) 8.217 ======================= Grid point 245 (114/140) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -6.818 -6.108 5.619) 10.741 1.163 ( -3.736 -1.750 -0.950) 4.233 1.214 ( -9.240 -0.938 4.245) 10.211 1.498 ( -3.264 0.439 0.273) 3.305 1.583 ( 3.752 -1.389 1.317) 4.213 1.756 ( 0.343 3.478 -1.673) 3.874 1.814 ( -1.651 -2.841 -0.382) 3.308 1.911 ( -5.647 2.094 6.366) 8.763 2.035 ( -2.466 4.984 3.102) 6.367 2.185 ( -2.019 -1.897 2.421) 3.679 2.245 ( 3.995 -0.988 -1.371) 4.338 2.469 ( -1.513 -0.860 -1.849) 2.539 2.634 ( 3.178 -1.599 -1.853) 4.011 2.755 ( -8.589 1.185 3.079) 9.200 3.102 ( -0.392 0.177 0.715) 0.834 3.224 ( -0.884 -0.335 0.117) 0.953 3.305 ( -7.693 -0.282 -8.220) 11.262 3.609 ( 3.667 0.203 -3.353) 4.973 3.889 ( -8.505 -0.039 -5.309) 10.026 4.036 ( -5.001 -0.434 8.168) 9.588 4.509 ( -6.701 0.171 -2.579) 7.182 4.989 ( -7.084 1.392 -1.442) 7.362 5.190 ( -1.325 -0.067 -0.661) 1.482 5.374 ( 0.025 0.934 1.584) 1.839 5.494 ( -6.101 4.721 6.653) 10.187 5.556 ( 1.352 -0.903 4.560) 4.841 5.939 ( -5.555 -0.084 8.423) 10.090 6.436 ( -1.627 -0.758 11.224) 11.366 6.730 ( 3.415 0.953 -15.071) 15.482 7.044 ( 1.087 -5.380 -3.604) 6.566 7.427 ( 3.940 2.226 -3.910) 5.981 7.483 ( -8.651 2.243 -11.773) 14.781 8.649 ( -9.976 -0.137 13.076) 16.448 8.817 ( 7.536 -1.890 -8.906) 11.819 9.650 ( 11.852 0.807 1.817) 12.018 9.763 ( 14.033 0.304 -3.212) 14.399 12.268 ( 0.080 -0.134 -0.069) 0.171 12.501 ( 0.051 0.114 0.402) 0.421 13.871 ( -3.165 1.191 -3.890) 5.154 14.119 ( 0.545 -1.222 0.042) 1.339 14.260 ( 4.516 -2.560 4.741) 7.031 14.864 ( 3.702 -1.073 6.513) 7.568 15.155 ( -0.549 0.560 -1.851) 2.010 15.406 ( -10.289 -0.862 5.917) 11.900 16.250 ( -9.583 1.116 6.891) 11.856 16.488 ( -4.328 0.070 -4.866) 6.513 16.816 ( 8.898 0.263 -5.417) 10.421 17.178 ( 8.422 2.297 -2.228) 9.009 ======================= Grid point 254 (115/140) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -7.485 0.000 9.003) 11.709 1.003 ( -10.867 0.000 8.985) 14.101 1.121 ( -2.065 0.000 -4.657) 5.094 1.383 ( -8.409 0.000 -1.442) 8.531 1.666 ( 5.733 -0.000 -0.570) 5.761 1.727 ( -13.917 0.000 15.390) 20.749 1.735 ( -0.788 0.000 -1.357) 1.569 1.821 ( 1.267 -0.000 -0.237) 1.289 2.075 ( 1.409 -0.000 2.546) 2.910 2.186 ( 2.162 -0.000 0.183) 2.170 2.323 ( 3.962 -0.000 -3.070) 5.012 2.428 ( -1.450 0.000 -5.395) 5.587 2.594 ( -8.552 0.000 2.882) 9.025 2.654 ( -0.556 0.000 -0.236) 0.604 3.089 ( -0.501 0.000 1.129) 1.235 3.149 ( -7.885 0.000 -6.657) 10.320 3.210 ( -0.787 0.000 -0.924) 1.214 3.367 ( -21.263 0.000 3.779) 21.597 3.934 ( 9.013 -0.000 -9.127) 12.827 3.955 ( -4.499 0.000 10.425) 11.355 4.509 ( 6.225 -0.000 -4.156) 7.485 4.896 ( -2.861 0.000 -2.014) 3.499 5.135 ( -4.656 0.000 0.513) 4.684 5.287 ( -10.812 0.000 -0.292) 10.815 5.333 ( -12.042 0.000 10.699) 16.109 5.564 ( 0.258 -0.000 13.302) 13.305 5.959 ( 5.096 -0.000 -4.599) 6.864 6.399 ( -3.606 0.000 8.961) 9.659 6.683 ( -6.403 0.000 -17.731) 18.852 7.004 ( -2.148 0.000 -7.919) 8.205 7.378 ( -0.215 0.000 -7.934) 7.937 7.482 ( -0.751 0.000 0.283) 0.802 8.537 ( -4.292 0.000 13.525) 14.190 8.894 ( 4.002 -0.000 -10.334) 11.082 9.948 ( 17.799 -0.000 0.787) 17.816 10.009 ( 12.065 -0.000 -0.752) 12.088 12.276 ( 0.843 -0.000 0.659) 1.070 12.495 ( -0.779 0.000 -0.686) 1.038 13.835 ( -0.651 0.000 -1.326) 1.477 14.117 ( 0.003 -0.000 -1.345) 1.345 14.402 ( 11.978 -0.000 8.873) 14.906 14.954 ( 5.162 -0.000 5.060) 7.228 15.143 ( -0.408 0.000 0.058) 0.412 15.203 ( -11.559 0.000 6.721) 13.370 16.038 ( -14.464 0.000 6.391) 15.813 16.390 ( -5.596 0.000 -7.730) 9.543 16.989 ( 9.933 -0.000 -6.239) 11.730 17.305 ( 3.539 -0.000 -3.962) 5.312 ======================= Grid point 255 (116/140) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 1.385 -0.000 -12.305) 12.383 0.877 ( -1.385 0.000 12.305) 12.383 0.972 ( 0.928 -0.000 -11.779) 11.815 0.972 ( -0.928 0.000 11.779) 11.815 1.745 ( 3.302 -0.000 -2.844) 4.358 1.745 ( -3.302 0.000 2.844) 4.358 1.881 ( 2.511 -0.000 -4.496) 5.150 1.881 ( -2.511 0.000 4.496) 5.150 2.146 ( 3.423 -0.000 -10.940) 11.463 2.146 ( -3.423 0.000 10.940) 11.463 2.283 ( -0.306 0.000 -2.227) 2.248 2.283 ( 0.306 -0.000 2.227) 2.248 2.517 ( -5.765 0.000 1.536) 5.966 2.517 ( 5.765 -0.000 -1.536) 5.966 2.869 ( 3.660 -0.000 -3.767) 5.252 2.869 ( -3.660 0.000 3.767) 5.252 3.198 ( 0.746 -0.000 -3.256) 3.340 3.198 ( -0.746 0.000 3.256) 3.340 4.169 ( 7.740 -0.000 -11.758) 14.077 4.169 ( -7.740 0.000 11.758) 14.077 4.756 ( -5.009 0.000 -3.946) 6.377 4.756 ( 5.009 -0.000 3.946) 6.377 4.837 ( -3.287 0.000 0.133) 3.289 4.837 ( 3.287 -0.000 -0.133) 3.289 5.574 ( -5.380 0.000 -10.878) 12.135 5.574 ( 5.380 -0.000 10.878) 12.135 6.013 ( -4.035 0.000 0.230) 4.042 6.013 ( 4.035 -0.000 -0.230) 4.042 6.593 ( 1.269 -0.000 -13.520) 13.579 6.593 ( -1.269 0.000 13.520) 13.579 7.455 ( 6.954 -0.000 -5.969) 9.164 7.455 ( -6.954 0.000 5.969) 9.164 8.749 ( 2.058 -0.000 -11.736) 11.915 8.749 ( -2.058 0.000 11.736) 11.915 10.308 ( 0.004 -0.000 -2.134) 2.134 10.308 ( -0.004 0.000 2.134) 2.134 12.386 ( -2.277 0.000 -2.513) 3.392 12.386 ( 2.277 -0.000 2.513) 3.392 13.968 ( -3.382 0.000 -4.096) 5.312 13.968 ( 3.382 -0.000 4.096) 5.312 14.982 ( 2.317 -0.000 -4.923) 5.441 14.982 ( -2.317 0.000 4.923) 5.441 15.358 ( -21.452 0.000 5.042) 22.036 15.358 ( 21.452 -0.000 -5.042) 22.036 15.705 ( -11.744 0.000 -9.466) 15.084 15.705 ( 11.744 -0.000 9.466) 15.084 17.181 ( 8.129 -0.000 -5.543) 9.839 17.181 ( -8.129 0.000 5.543) 9.839 ======================= Grid point 257 (117/140) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 1.862 -2.366 3.152) 4.359 0.929 ( 2.373 -5.959 -1.386) 6.562 1.059 ( 6.503 -2.185 -9.488) 11.708 1.117 ( 11.014 -3.690 6.012) 13.079 1.712 ( -1.460 -1.197 1.224) 2.250 1.799 ( -5.112 0.646 -0.171) 5.155 1.818 ( 2.872 -0.245 -1.196) 3.121 1.902 ( 4.201 2.321 -10.345) 11.404 2.067 ( -1.248 8.504 6.364) 10.694 2.221 ( 2.548 -5.112 4.489) 7.265 2.229 ( -2.728 2.433 1.426) 3.923 2.299 ( -1.128 -3.758 -0.399) 3.944 2.526 ( 6.021 0.466 -3.008) 6.747 2.636 ( 4.440 0.495 -2.389) 5.066 2.882 ( 3.400 0.436 5.271) 6.288 3.062 ( 18.183 -0.297 -3.832) 18.585 3.181 ( -0.961 0.214 0.426) 1.073 3.205 ( 0.352 -1.272 -4.520) 4.709 3.953 ( -15.515 -0.108 11.944) 19.581 4.198 ( 0.049 0.339 -13.166) 13.171 4.623 ( -6.113 2.484 -3.418) 7.431 4.821 ( 0.701 1.159 2.750) 3.065 4.913 ( 9.039 -1.585 4.066) 10.037 5.008 ( 12.814 1.218 2.033) 13.031 5.474 ( -2.557 2.328 -7.167) 7.957 5.688 ( 6.264 2.888 4.949) 8.489 5.974 ( -0.083 -1.260 -1.427) 1.905 6.108 ( 4.039 -2.740 2.665) 5.561 6.624 ( 3.761 1.560 1.744) 4.430 6.667 ( 5.521 -2.820 0.697) 6.239 7.318 ( -6.592 2.215 4.591) 8.333 7.541 ( 4.684 3.042 -6.845) 8.835 8.725 ( -3.698 -2.099 12.212) 12.931 8.772 ( 1.718 -1.629 -11.502) 11.744 10.204 ( -10.252 0.911 1.189) 10.361 10.211 ( -9.675 0.152 0.213) 9.679 12.338 ( -2.114 0.338 -2.174) 3.051 12.427 ( 1.928 0.446 2.438) 3.140 13.911 ( -3.155 -2.206 -4.299) 5.771 14.043 ( 2.598 -2.282 3.713) 5.074 14.838 ( -16.761 0.740 -0.841) 16.798 14.958 ( -1.511 -0.760 4.808) 5.097 15.179 ( 5.578 1.714 -6.866) 9.011 15.410 ( -10.097 -0.544 -11.281) 15.150 15.833 ( 21.662 1.966 -5.332) 22.395 15.952 ( 11.788 0.397 13.013) 17.563 17.012 ( -10.412 -0.049 8.525) 13.457 17.270 ( 2.062 1.039 -1.502) 2.755 ======================= Grid point 258 (118/140) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 4.185 -5.829 1.337) 7.299 1.059 ( 3.624 -8.555 0.332) 9.297 1.185 ( 5.979 -1.859 -5.681) 8.455 1.356 ( 8.380 -1.725 3.265) 9.157 1.708 ( -2.202 -1.704 -1.789) 3.309 1.718 ( -1.610 0.800 -0.419) 1.846 1.827 ( 0.904 0.480 -1.475) 1.795 1.944 ( 1.979 5.360 -3.670) 6.791 2.017 ( 3.259 4.894 -2.188) 6.274 2.180 ( -0.229 0.576 3.373) 3.430 2.295 ( -0.525 -2.471 -1.930) 3.179 2.353 ( 3.415 -5.671 5.838) 8.826 2.650 ( 3.317 1.461 -1.272) 3.841 2.665 ( 4.054 0.319 -2.608) 4.831 2.974 ( 5.025 -0.749 5.811) 7.719 3.178 ( 1.184 0.121 0.284) 1.224 3.234 ( 2.550 -1.201 -6.324) 6.924 3.477 ( 23.795 0.113 -5.571) 24.439 3.684 ( -14.013 -0.046 13.594) 19.523 4.190 ( 2.318 1.334 -12.294) 12.582 4.509 ( -2.705 1.397 -4.361) 5.319 4.819 ( 1.186 1.400 3.217) 3.703 5.099 ( 7.916 -0.212 2.010) 8.170 5.221 ( 10.054 2.595 3.477) 10.950 5.409 ( -2.055 1.617 2.296) 3.480 5.749 ( 4.607 4.950 -7.858) 10.367 6.049 ( 7.853 0.403 -5.263) 9.462 6.203 ( 2.668 -1.477 9.861) 10.322 6.685 ( 2.881 0.843 -0.950) 3.149 6.801 ( 2.622 -4.806 11.263) 12.523 7.242 ( 1.481 0.209 -1.104) 1.859 7.538 ( -0.063 4.975 -6.927) 8.529 8.695 ( -4.172 -3.358 12.255) 13.374 8.818 ( 3.675 -1.748 -11.711) 12.398 9.948 ( -14.861 1.303 -0.373) 14.922 9.975 ( -15.031 0.213 1.670) 15.125 12.300 ( -1.271 0.267 -1.639) 2.091 12.460 ( 1.712 0.470 2.080) 2.734 13.877 ( -2.613 -3.044 -3.966) 5.641 14.106 ( 0.811 -2.536 2.758) 3.834 14.549 ( -12.724 -1.163 -2.457) 13.011 14.958 ( -0.071 -0.031 2.803) 2.804 15.188 ( -3.722 3.082 -3.640) 6.050 15.377 ( 7.770 -2.971 -7.180) 10.989 16.114 ( 11.137 4.359 4.848) 12.905 16.199 ( 14.479 0.981 -1.323) 14.573 16.841 ( -9.328 -0.600 8.146) 12.399 17.232 ( -3.949 2.288 0.136) 4.566 ======================= Grid point 259 (119/140) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 3.706 -7.287 0.806) 8.214 1.207 ( 3.115 -8.241 0.747) 8.841 1.298 ( 5.640 -0.081 -2.408) 6.133 1.452 ( 2.521 1.805 2.149) 3.772 1.655 ( -2.442 0.668 -2.025) 3.242 1.683 ( -1.522 1.316 -1.081) 2.284 1.847 ( 0.986 3.057 0.881) 3.331 1.922 ( -1.232 -0.380 -1.844) 2.250 2.021 ( 3.601 3.538 -4.535) 6.786 2.172 ( -1.945 0.909 2.387) 3.210 2.372 ( 6.314 -3.838 -3.056) 7.996 2.477 ( 3.320 -4.506 2.476) 6.120 2.635 ( -1.962 -1.696 1.681) 3.091 2.745 ( 3.915 2.687 -1.245) 4.909 3.071 ( 2.862 -0.618 2.814) 4.061 3.216 ( 1.846 -0.722 1.493) 2.482 3.291 ( 2.171 -0.077 -2.456) 3.279 3.444 ( -9.180 -0.461 6.217) 11.097 3.901 ( 17.213 0.533 -3.824) 17.641 4.207 ( 2.272 1.222 -8.267) 8.661 4.523 ( 7.177 0.176 -3.229) 7.872 4.882 ( 6.778 2.003 3.626) 7.944 5.189 ( 2.402 1.383 -1.739) 3.272 5.326 ( 3.530 2.202 6.587) 7.791 5.368 ( -2.675 -0.067 5.820) 6.406 5.720 ( -3.111 4.006 -11.533) 12.600 6.200 ( 11.699 3.302 -14.943) 19.263 6.303 ( 6.854 0.913 16.717) 18.091 6.676 ( -2.612 0.336 -2.827) 3.863 6.896 ( -0.409 -6.074 17.948) 18.953 7.363 ( 7.494 -2.561 -5.153) 9.448 7.431 ( -4.122 3.481 -5.335) 7.588 8.673 ( -3.179 -2.465 9.963) 10.744 8.913 ( 7.312 -0.649 -11.639) 13.760 9.659 ( -15.981 0.766 3.428) 16.363 9.687 ( -13.009 0.756 -1.283) 13.094 12.281 ( -0.490 0.104 -1.024) 1.140 12.487 ( 1.248 0.298 1.446) 1.933 13.857 ( -1.862 -2.485 -2.861) 4.222 14.127 ( -0.556 -0.968 0.965) 1.475 14.382 ( -6.842 -1.991 -0.991) 7.194 14.953 ( -1.625 -1.623 0.931) 2.478 15.120 ( 0.137 2.815 -0.703) 2.905 15.555 ( 8.060 -2.465 -4.726) 9.663 16.237 ( 6.177 4.094 4.818) 8.839 16.420 ( 10.928 1.515 -3.113) 11.463 16.709 ( -6.740 -1.173 6.045) 9.129 17.101 ( -6.758 2.744 -0.138) 7.295 ======================= Grid point 260 (120/140) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 1.596 -4.691 0.301) 4.964 1.323 ( 1.001 -6.599 0.952) 6.742 1.363 ( 2.596 3.626 -0.996) 4.569 1.455 ( 1.090 3.279 1.064) 3.615 1.611 ( -1.349 -0.048 -1.526) 2.037 1.656 ( -0.496 -0.220 -0.426) 0.690 1.826 ( 0.064 1.853 0.462) 1.911 1.883 ( -1.827 -0.042 -0.119) 1.831 2.059 ( 1.902 0.926 -2.229) 3.073 2.132 ( -0.856 0.702 0.464) 1.200 2.507 ( 3.814 -1.072 -1.473) 4.227 2.562 ( 1.689 -2.954 -0.486) 3.438 2.628 ( -0.912 -1.909 1.437) 2.558 2.764 ( 0.964 2.163 0.422) 2.405 3.099 ( 0.409 0.335 0.561) 0.771 3.217 ( -3.242 -0.185 4.140) 5.261 3.277 ( 0.422 0.397 1.234) 1.363 3.405 ( 0.508 -1.061 -2.768) 3.008 4.067 ( 3.228 0.384 -1.985) 3.809 4.223 ( 0.916 0.289 -2.709) 2.874 4.740 ( 11.339 -0.213 -0.788) 11.368 5.018 ( 8.607 0.653 0.339) 8.638 5.172 ( -4.045 1.512 2.342) 4.913 5.314 ( -1.917 -0.634 1.955) 2.811 5.377 ( 3.400 1.178 2.853) 4.592 5.526 ( -10.720 1.237 -5.153) 11.959 6.387 ( 13.046 4.588 -11.506) 17.990 6.452 ( 4.638 -0.757 9.939) 10.994 6.597 ( -4.533 -0.291 -3.125) 5.514 6.910 ( -5.400 -3.536 10.291) 12.148 7.311 ( -1.704 1.590 -1.802) 2.946 7.527 ( 4.126 -2.295 -2.384) 5.288 8.653 ( -1.444 -0.588 3.953) 4.249 9.070 ( 10.688 0.090 -9.585) 14.357 9.360 ( -14.731 0.234 7.042) 16.329 9.518 ( -4.294 0.383 -1.558) 4.584 12.274 ( -0.097 0.019 -0.349) 0.363 12.503 ( 0.452 0.103 0.520) 0.696 13.846 ( -0.702 -0.940 -1.052) 1.576 14.120 ( -0.432 -0.075 0.002) 0.438 14.315 ( -2.135 -0.960 -0.010) 2.341 14.942 ( -0.908 -1.184 0.323) 1.527 15.113 ( 0.799 1.433 -0.078) 1.643 15.678 ( 3.192 -1.215 -1.745) 3.835 16.289 ( 2.117 1.885 1.508) 3.210 16.570 ( 7.092 2.112 -2.603) 7.845 16.634 ( -4.282 -2.526 4.234) 6.531 16.961 ( -4.505 1.663 -0.466) 4.824 ======================= Grid point 266 (121/140) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 4.068 -0.000 -7.001) 8.097 0.970 ( 4.302 -0.000 8.498) 9.525 1.168 ( 7.135 -0.000 -6.031) 9.342 1.337 ( 10.804 -0.000 3.190) 11.265 1.682 ( -1.766 0.000 -2.053) 2.708 1.721 ( -0.855 0.000 -0.034) 0.856 1.831 ( -1.012 0.000 -1.096) 1.492 2.004 ( 5.268 -0.000 -8.905) 10.347 2.127 ( -0.807 0.000 -3.181) 3.282 2.195 ( 2.099 -0.000 3.928) 4.454 2.252 ( 1.801 -0.000 6.605) 6.847 2.252 ( -1.405 0.000 2.745) 3.083 2.660 ( -1.297 0.000 -0.787) 1.518 2.677 ( 8.891 -0.000 -4.186) 9.827 2.966 ( 4.061 -0.000 6.497) 7.662 3.181 ( 0.675 -0.000 1.097) 1.288 3.221 ( 3.648 -0.000 -7.262) 8.127 3.477 ( 24.141 -0.000 -5.876) 24.846 3.683 ( -14.006 0.000 13.347) 19.347 4.204 ( 2.484 -0.000 -12.814) 13.052 4.525 ( -3.819 0.000 -3.967) 5.507 4.832 ( 1.114 -0.000 4.272) 4.415 5.093 ( 8.692 -0.000 2.832) 9.141 5.247 ( 9.950 -0.000 2.621) 10.289 5.422 ( -4.042 0.000 4.853) 6.316 5.812 ( 4.625 -0.000 -6.898) 8.305 6.045 ( 9.465 -0.000 -14.592) 17.393 6.186 ( 4.285 -0.000 15.797) 16.367 6.712 ( 1.944 -0.000 -9.040) 9.247 6.729 ( 3.145 -0.000 15.528) 15.843 7.250 ( -1.022 0.000 3.246) 3.403 7.588 ( -0.655 0.000 -7.267) 7.296 8.659 ( -3.730 0.000 12.164) 12.723 8.801 ( 4.439 -0.000 -11.846) 12.651 9.963 ( -14.947 0.000 -0.752) 14.966 9.975 ( -15.178 0.000 2.594) 15.398 12.303 ( -1.432 0.000 -1.833) 2.326 12.465 ( 1.545 -0.000 2.117) 2.621 13.848 ( -1.896 0.000 -2.458) 3.104 14.081 ( 2.110 -0.000 1.950) 2.873 14.536 ( -13.239 0.000 -4.006) 13.832 14.958 ( -0.470 0.000 2.628) 2.669 15.221 ( -6.515 0.000 -4.642) 7.999 15.343 ( 10.204 -0.000 -6.375) 12.032 16.164 ( 8.717 -0.000 12.824) 15.506 16.201 ( 16.499 -0.000 -9.475) 19.026 16.835 ( -9.425 0.000 8.357) 12.597 17.254 ( -4.086 0.000 1.236) 4.269 ======================= Grid point 267 (122/140) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 4.547 -3.786 -3.993) 7.138 1.082 ( 4.082 -3.523 4.951) 7.320 1.299 ( 7.458 0.041 -2.966) 8.027 1.467 ( 3.463 0.088 3.351) 4.820 1.640 ( -2.556 -0.897 -3.506) 4.430 1.741 ( 0.097 3.595 -0.241) 3.604 1.816 ( 0.195 -3.597 -0.559) 3.646 1.996 ( -1.351 3.951 -1.610) 4.476 2.128 ( 3.786 6.621 -4.607) 8.910 2.205 ( -1.460 2.559 1.426) 3.273 2.274 ( 4.921 -6.048 -4.433) 8.969 2.373 ( 4.008 -5.135 6.720) 9.359 2.612 ( -3.260 -0.503 0.048) 3.299 2.795 ( 4.792 1.562 0.515) 5.067 3.062 ( 4.377 -0.285 2.829) 5.219 3.207 ( 1.459 -0.205 1.632) 2.199 3.294 ( 4.556 0.221 -6.140) 7.649 3.435 ( -11.223 -0.401 9.455) 14.680 3.909 ( 17.518 0.224 -4.515) 18.091 4.225 ( 1.607 0.552 -9.458) 9.610 4.524 ( 6.186 0.016 -3.185) 6.957 4.909 ( 6.545 0.775 5.002) 8.274 5.205 ( 3.083 0.382 -2.238) 3.829 5.351 ( -2.979 0.347 11.447) 11.833 5.368 ( 1.793 0.261 2.358) 2.974 5.782 ( -6.373 1.887 -10.403) 12.345 6.242 ( 13.121 1.073 -15.148) 20.069 6.322 ( 8.029 0.829 17.316) 19.105 6.679 ( -3.292 0.050 -4.940) 5.937 6.807 ( 1.150 -2.836 12.458) 12.828 7.321 ( 7.037 -1.107 1.917) 7.377 7.488 ( -7.419 1.688 -5.266) 9.254 8.635 ( -1.367 -1.174 8.559) 8.747 8.903 ( 8.320 -0.269 -11.576) 14.259 9.672 ( -17.133 0.428 5.159) 17.898 9.696 ( -12.539 0.162 -2.157) 12.724 12.281 ( -0.691 -0.021 -1.247) 1.426 12.491 ( 1.041 0.123 1.336) 1.698 13.830 ( -0.169 -0.523 -0.173) 0.576 14.123 ( 2.123 0.214 -0.155) 2.140 14.347 ( -7.139 -1.230 -3.253) 7.941 14.927 ( -2.751 -0.788 0.275) 2.875 15.159 ( -0.104 1.055 -1.372) 1.734 15.521 ( 8.654 -0.973 -4.736) 9.913 16.304 ( 5.564 2.483 9.112) 10.962 16.420 ( 8.326 -0.935 -6.127) 10.380 16.700 ( -6.005 -0.019 5.120) 7.892 17.138 ( -7.438 1.008 1.477) 7.650 ======================= Grid point 268 (123/140) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 3.190 -5.171 -1.219) 6.197 1.191 ( 2.049 -5.822 1.689) 6.399 1.415 ( 5.281 1.895 -0.836) 5.673 1.523 ( 3.274 1.283 1.771) 3.937 1.591 ( -3.217 -1.449 -2.737) 4.466 1.672 ( -2.067 2.852 0.488) 3.556 1.850 ( -0.195 -1.706 1.262) 2.131 1.925 ( -1.032 5.117 -0.799) 5.281 2.121 ( 1.374 4.356 -0.952) 4.666 2.160 ( -0.378 2.994 -1.148) 3.229 2.433 ( 3.925 -7.536 -3.958) 9.373 2.485 ( 2.892 -2.909 2.751) 4.940 2.581 ( -0.533 -1.709 -0.425) 1.840 2.841 ( 2.498 3.756 3.872) 5.944 3.109 ( 0.620 0.475 0.090) 0.786 3.214 ( -2.136 -0.067 4.489) 4.972 3.289 ( -1.324 0.789 1.093) 1.890 3.385 ( 2.647 -0.985 -3.326) 4.364 4.074 ( 2.743 0.304 -2.852) 3.969 4.228 ( 0.348 0.262 -3.751) 3.776 4.735 ( 11.916 -0.283 -1.880) 12.067 5.032 ( 5.856 0.674 2.114) 6.263 5.193 ( -5.017 0.641 3.539) 6.173 5.308 ( -0.635 -0.012 2.535) 2.613 5.393 ( 1.328 0.480 1.202) 1.854 5.545 ( -13.469 0.578 -5.011) 14.382 6.400 ( 0.688 -1.904 2.868) 3.510 6.485 ( 9.073 3.214 5.791) 11.233 6.591 ( -4.939 -0.621 -5.937) 7.748 6.876 ( 4.142 -0.314 0.890) 4.248 7.329 ( -5.752 0.341 -3.214) 6.598 7.486 ( 6.875 -1.703 4.253) 8.261 8.642 ( 0.200 -0.490 1.037) 1.164 9.073 ( 10.875 0.114 -9.043) 14.144 9.365 ( -15.261 0.220 7.462) 16.989 9.522 ( -5.264 -0.003 -0.961) 5.351 12.272 ( -0.279 -0.177 -0.531) 0.625 12.504 ( 0.243 0.027 0.266) 0.361 13.847 ( 1.776 0.700 2.327) 3.010 14.145 ( 1.768 2.462 -2.048) 3.658 14.282 ( -1.364 -2.312 -1.562) 3.106 14.904 ( -0.875 -2.107 -0.354) 2.309 15.148 ( -0.098 1.677 -1.469) 2.231 15.653 ( 4.647 -1.200 -2.546) 5.433 16.339 ( 0.022 3.317 4.138) 5.303 16.530 ( 0.287 -4.793 1.937) 5.178 16.637 ( 0.327 1.591 -0.931) 1.872 16.992 ( -6.116 1.310 0.584) 6.282 ======================= Grid point 269 (124/140) ======================= q-point: (-0.56 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.747 -4.954 0.008) 5.010 1.268 ( -0.078 -5.558 0.019) 5.558 1.425 ( -0.527 3.700 -2.009) 4.243 1.506 ( -2.194 5.031 0.272) 5.495 1.592 ( 2.150 -0.592 0.933) 2.417 1.653 ( 0.862 -0.199 0.664) 1.107 1.861 ( 0.188 4.159 -0.384) 4.181 1.875 ( 1.045 -0.579 2.123) 2.437 2.090 ( -2.061 3.786 2.442) 4.954 2.127 ( 0.605 0.173 -1.805) 1.911 2.504 ( -2.104 -4.074 -0.608) 4.625 2.536 ( -0.577 -1.648 -1.682) 2.425 2.618 ( 2.077 -1.491 0.473) 2.600 2.821 ( -0.386 5.466 3.757) 6.644 3.101 ( -0.428 0.400 -0.753) 0.954 3.218 ( 3.812 -0.175 -3.482) 5.166 3.277 ( -0.852 0.414 -1.676) 1.925 3.423 ( 1.169 0.779 2.260) 2.661 4.060 ( -3.846 -0.298 0.779) 3.935 4.218 ( -1.493 -0.219 1.718) 2.286 4.744 ( -11.286 0.260 -0.918) 11.326 5.009 ( -11.101 -0.351 2.216) 11.325 5.138 ( 2.338 -1.832 -1.115) 3.173 5.331 ( 2.471 0.895 -1.662) 3.109 5.348 ( -5.176 -1.730 -4.071) 6.809 5.505 ( 8.463 -0.750 4.700) 9.709 6.286 ( -14.887 -5.337 16.006) 22.501 6.449 ( -8.112 -1.008 -10.901) 13.626 6.622 ( 5.228 2.227 3.312) 6.577 6.993 ( 10.089 4.198 -12.590) 16.671 7.273 ( -1.791 -2.096 -1.690) 3.234 7.565 ( -0.487 1.589 8.105) 8.274 8.663 ( 2.894 0.392 -7.008) 7.592 9.070 ( -10.718 -0.002 10.236) 14.820 9.356 ( 14.308 -0.137 -6.627) 15.769 9.507 ( 3.317 -0.682 2.257) 4.070 12.271 ( -0.067 -0.279 0.202) 0.350 12.500 ( -0.647 -0.143 -0.827) 1.060 13.885 ( 3.407 2.843 4.695) 6.460 14.149 ( 2.013 2.744 -1.554) 3.741 14.318 ( 3.510 -0.627 -2.145) 4.161 14.932 ( 1.501 -2.064 -1.014) 2.746 15.110 ( -2.272 0.940 -1.849) 3.076 15.693 ( -1.063 0.233 0.553) 1.221 16.271 ( -5.235 0.318 0.920) 5.325 16.502 ( -7.625 -4.574 3.093) 9.415 16.674 ( 3.829 1.307 -4.068) 5.738 16.939 ( 1.629 -0.554 1.184) 2.089 ======================= Grid point 270 (125/140) ======================= q-point: (-0.44 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -2.714 0.384 0.068) 2.742 1.276 ( -2.536 -0.711 0.262) 2.647 1.358 ( -1.701 4.284 -1.065) 4.731 1.430 ( -0.911 1.999 -1.368) 2.588 1.627 ( 0.906 -0.687 1.297) 1.725 1.677 ( 1.452 0.360 1.533) 2.143 1.817 ( -1.284 1.921 0.151) 2.315 1.939 ( 3.771 -0.231 2.081) 4.314 2.008 ( -3.730 1.692 4.258) 5.908 2.162 ( 2.563 -0.318 -2.896) 3.880 2.428 ( -6.135 2.321 1.548) 6.740 2.501 ( -4.390 -2.359 -3.576) 6.134 2.655 ( 0.892 0.558 -0.244) 1.080 2.752 ( -2.613 3.522 3.702) 5.739 3.085 ( -1.059 0.918 -2.255) 2.655 3.232 ( -2.702 0.685 -2.173) 3.535 3.301 ( 1.805 1.053 -1.799) 2.758 3.450 ( 5.511 0.093 -1.674) 5.761 3.890 ( -16.548 -0.564 2.251) 16.710 4.182 ( -3.428 -1.307 6.788) 7.716 4.517 ( -8.070 -0.386 2.627) 8.496 4.836 ( -8.118 -2.571 -0.591) 8.536 5.154 ( -1.985 -2.063 0.097) 2.864 5.274 ( -5.389 -3.028 -6.651) 9.080 5.361 ( 0.079 -0.837 -1.989) 2.160 5.657 ( 2.380 -1.943 10.586) 11.023 6.117 ( -9.597 -5.257 12.814) 16.850 6.288 ( -6.132 -0.669 -15.826) 16.985 6.673 ( 1.403 0.355 2.096) 2.548 7.023 ( 0.453 6.495 -21.086) 22.069 7.307 ( 0.646 -5.938 5.021) 7.803 7.464 ( -7.300 4.420 11.245) 14.116 8.719 ( 5.466 2.161 -11.521) 12.934 8.926 ( -5.838 0.692 11.649) 13.048 9.645 ( 14.283 -0.684 -1.204) 14.350 9.668 ( 13.921 -1.084 0.230) 13.965 12.276 ( 0.304 -0.321 0.864) 0.971 12.481 ( -1.428 -0.313 -1.696) 2.239 13.929 ( 4.160 4.833 6.429) 9.055 14.166 ( 2.736 2.969 -1.506) 4.310 14.413 ( 7.328 1.033 -2.562) 7.831 14.977 ( 1.511 0.387 -1.814) 2.393 15.062 ( -1.908 -2.627 -1.030) 3.406 15.607 ( -6.810 2.597 4.423) 8.526 16.158 ( -8.307 -3.662 -2.121) 9.323 16.363 ( -11.850 -4.208 1.530) 12.667 16.740 ( 6.240 1.761 -5.801) 8.700 17.041 ( 5.551 -3.244 2.081) 6.758 ======================= Grid point 271 (126/140) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -5.043 6.019 -0.154) 7.854 1.205 ( -2.845 4.706 -0.270) 5.506 1.271 ( -2.018 7.135 2.378) 7.787 1.393 ( -3.253 2.025 -2.350) 4.495 1.663 ( 0.876 -3.600 1.475) 3.988 1.718 ( 2.380 -1.867 1.925) 3.585 1.782 ( -1.844 -1.291 -0.699) 2.357 1.927 ( -2.194 3.510 4.384) 6.030 1.993 ( 0.067 1.137 0.966) 1.493 2.180 ( -0.248 0.518 -3.899) 3.941 2.318 ( -2.711 0.115 2.044) 3.397 2.412 ( -5.145 -0.066 -4.209) 6.648 2.628 ( -4.301 0.364 3.276) 5.419 2.680 ( -2.071 1.671 -0.145) 2.665 2.994 ( -6.693 1.277 -4.509) 8.171 3.182 ( -1.195 0.492 -0.574) 1.414 3.263 ( -1.703 1.773 5.967) 6.454 3.467 ( -21.805 -1.090 4.744) 22.341 3.683 ( 12.598 -0.049 -14.015) 18.846 4.157 ( -2.009 -2.037 11.032) 11.397 4.483 ( 1.335 -1.149 5.015) 5.316 4.774 ( -2.140 -3.330 0.423) 3.981 5.086 ( -7.527 -1.667 -0.275) 7.714 5.158 ( -10.140 -3.718 -6.741) 12.731 5.353 ( -2.285 -3.940 4.944) 6.722 5.677 ( -2.156 -1.980 4.127) 5.059 6.022 ( -5.446 -2.274 -1.830) 6.179 6.228 ( -0.152 0.787 -5.889) 5.943 6.670 ( -2.789 -0.845 1.088) 3.111 6.893 ( -3.838 4.678 -18.651) 19.608 7.260 ( -6.310 1.679 9.571) 11.586 7.419 ( -1.191 -6.447 6.525) 9.250 8.771 ( 5.166 4.184 -12.146) 13.846 8.861 ( -1.912 2.490 11.205) 11.637 9.920 ( 14.639 -1.488 0.678) 14.730 9.967 ( 15.014 -0.520 -0.920) 15.051 12.293 ( 1.023 -0.416 1.405) 1.788 12.450 ( -1.943 -0.504 -2.165) 2.952 13.964 ( 4.061 5.917 7.083) 10.084 14.173 ( 1.640 4.263 -3.335) 5.656 14.572 ( 11.433 0.950 -1.576) 11.581 14.959 ( -0.845 0.057 -3.200) 3.310 15.114 ( 1.699 -4.409 1.716) 5.027 15.442 ( -6.868 3.506 8.039) 11.139 16.015 ( -12.267 -5.545 -2.038) 13.616 16.158 ( -13.650 -3.255 -1.715) 14.137 16.858 ( 8.774 1.130 -7.415) 11.543 17.172 ( 3.764 -3.706 2.125) 5.694 ======================= Grid point 272 (127/140) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -2.273 6.495 -2.934) 7.481 1.083 ( -3.868 7.680 2.017) 8.833 1.157 ( -2.759 8.477 6.774) 11.197 1.233 ( -7.075 7.449 -4.959) 11.408 1.713 ( 0.441 -3.414 1.579) 3.787 1.775 ( -1.858 -4.537 -2.396) 5.457 1.793 ( 2.690 0.947 2.149) 3.571 1.891 ( -2.428 1.929 4.848) 5.755 1.949 ( 2.104 -1.566 -1.409) 2.977 2.178 ( -1.337 -2.025 -3.913) 4.604 2.278 ( -1.736 0.035 0.148) 1.743 2.347 ( -1.307 0.128 -1.801) 2.229 2.526 ( -4.304 1.195 3.247) 5.522 2.627 ( -3.856 -0.114 -0.528) 3.894 2.873 ( -3.730 -0.186 -2.960) 4.766 3.073 ( -17.744 0.810 3.142) 18.038 3.183 ( 1.473 0.354 -0.096) 1.518 3.236 ( -0.713 1.728 4.064) 4.473 3.951 ( 15.635 -0.525 -13.988) 20.985 4.186 ( 0.958 -0.861 13.070) 13.133 4.563 ( 3.713 -3.009 5.361) 7.182 4.772 ( -3.753 -4.115 1.635) 5.805 4.934 ( -8.106 -0.224 -3.650) 8.893 4.968 ( -10.506 -2.681 -4.997) 11.939 5.397 ( 1.342 -4.937 10.670) 11.833 5.622 ( -6.001 -3.109 -6.780) 9.573 6.003 ( 3.546 1.389 -6.536) 7.564 6.179 ( -3.012 3.693 2.548) 5.404 6.604 ( -3.615 -0.609 1.434) 3.936 6.726 ( -7.513 3.032 -6.998) 10.706 7.257 ( 3.951 -3.309 -0.316) 5.163 7.441 ( -4.460 -6.676 5.836) 9.926 8.793 ( 3.620 4.521 -11.354) 12.745 8.826 ( -0.766 3.704 10.662) 11.313 10.180 ( 10.500 -1.463 -1.204) 10.669 10.203 ( 9.117 -0.583 0.583) 9.154 12.328 ( 1.867 -0.637 1.845) 2.701 12.414 ( -2.127 -0.756 -2.252) 3.189 13.990 ( 3.755 5.832 6.626) 9.593 14.121 ( -1.414 5.461 -5.186) 7.663 14.812 ( 12.431 -1.908 -1.484) 12.664 14.981 ( 5.140 1.313 -4.921) 7.236 15.121 ( -4.955 -4.083 4.959) 8.113 15.420 ( 4.955 0.114 12.653) 13.589 15.773 ( -17.802 -3.644 2.091) 18.291 15.932 ( -12.100 -1.797 -9.904) 15.740 17.014 ( 9.540 0.111 -7.847) 12.354 17.233 ( -1.435 -2.648 2.912) 4.189 ======================= Grid point 273 (128/140) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 2.440 5.717 -10.913) 12.560 0.939 ( -2.440 5.717 10.913) 12.560 1.057 ( -0.283 8.302 -10.865) 13.677 1.057 ( 0.283 8.302 10.865) 13.677 1.760 ( -0.050 -0.080 -2.569) 2.571 1.760 ( 0.050 -0.080 2.569) 2.571 1.832 ( 0.741 -2.699 -4.419) 5.231 1.832 ( -0.741 -2.699 4.419) 5.231 2.104 ( -3.273 -3.229 -6.568) 8.017 2.104 ( 3.273 -3.229 6.568) 8.017 2.305 ( 0.071 0.677 -5.896) 5.935 2.305 ( -0.071 0.677 5.896) 5.935 2.523 ( -2.278 0.809 -1.198) 2.698 2.523 ( 2.278 0.809 1.198) 2.698 2.868 ( 2.097 0.058 -2.671) 3.396 2.868 ( -2.097 0.058 2.671) 3.396 3.208 ( 0.826 0.889 -3.164) 3.389 3.208 ( -0.826 0.889 3.164) 3.389 4.170 ( 7.525 -0.037 -12.712) 14.772 4.170 ( -7.525 -0.037 12.712) 14.772 4.697 ( -6.404 -4.659 -4.349) 9.035 4.697 ( 6.404 -4.659 4.349) 9.035 4.859 ( -0.806 0.695 -3.165) 3.340 4.859 ( 0.806 0.695 3.165) 3.340 5.526 ( -4.877 -4.079 -13.095) 14.557 5.526 ( 4.877 -4.079 13.095) 14.557 6.061 ( 3.067 4.010 -9.205) 10.499 6.061 ( -3.067 4.010 9.205) 10.499 6.596 ( 0.426 0.406 -13.254) 13.267 6.596 ( -0.426 0.406 13.254) 13.267 7.402 ( 5.612 -4.890 -5.160) 9.057 7.402 ( -5.612 -4.890 5.160) 9.057 8.786 ( 1.818 3.495 -11.538) 12.192 8.786 ( -1.818 3.495 11.538) 12.192 10.297 ( 0.298 -0.975 -1.912) 2.167 10.297 ( -0.298 -0.975 1.912) 2.167 12.378 ( -2.233 -0.774 -2.257) 3.268 12.378 ( 2.233 -0.774 2.257) 3.268 14.015 ( -3.288 4.643 -5.445) 7.875 14.015 ( 3.288 4.643 5.445) 7.875 14.970 ( 2.392 -1.201 -4.214) 4.992 14.970 ( -2.392 -1.201 4.214) 4.992 15.332 ( -14.350 -2.634 3.950) 15.115 15.332 ( 14.350 -2.634 -3.950) 15.115 15.705 ( -10.822 -0.107 -8.643) 13.850 15.705 ( 10.822 -0.107 8.643) 13.850 17.171 ( 4.317 -0.945 -7.446) 8.659 17.171 ( -4.317 -0.945 7.446) 8.659 ======================= Grid point 277 (129/140) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 4.272 -0.000 -3.473) 5.505 1.133 ( 2.098 -0.000 3.575) 4.146 1.435 ( 6.838 -0.000 -0.928) 6.900 1.525 ( 2.758 -0.000 2.073) 3.450 1.574 ( -3.371 0.000 -3.113) 4.588 1.721 ( -3.407 0.000 1.224) 3.620 1.819 ( 1.524 -0.000 0.967) 1.805 1.985 ( -1.262 0.000 -1.578) 2.021 2.161 ( -1.781 0.000 0.104) 1.784 2.266 ( -0.027 0.000 -0.467) 0.468 2.293 ( 5.042 -0.000 -5.118) 7.184 2.445 ( 4.239 -0.000 4.946) 6.514 2.568 ( 0.242 -0.000 -2.412) 2.424 2.879 ( 3.036 -0.000 4.668) 5.569 3.114 ( 0.741 -0.000 -0.272) 0.789 3.214 ( -1.823 0.000 4.678) 5.020 3.299 ( -2.693 0.000 1.225) 2.959 3.374 ( 4.243 -0.000 -3.744) 5.658 4.077 ( 2.550 -0.000 -3.144) 4.048 4.231 ( 0.077 -0.000 -4.201) 4.202 4.732 ( 12.260 -0.000 -2.116) 12.441 5.040 ( 4.573 -0.000 2.534) 5.228 5.199 ( -5.068 0.000 4.179) 6.569 5.309 ( 0.108 -0.000 3.198) 3.200 5.397 ( 0.198 -0.000 -0.020) 0.199 5.549 ( -14.574 0.000 -4.798) 15.343 6.378 ( -2.177 0.000 5.656) 6.061 6.519 ( 7.812 -0.000 8.766) 11.742 6.584 ( -4.762 0.000 -6.291) 7.890 6.876 ( 8.827 -0.000 -6.475) 10.947 7.331 ( -7.543 0.000 -3.731) 8.415 7.468 ( 7.700 -0.000 8.058) 11.145 8.637 ( 0.959 -0.000 -0.208) 0.982 9.074 ( 11.000 -0.000 -8.841) 14.112 9.367 ( -15.526 0.000 7.660) 17.312 9.521 ( -5.654 0.000 -0.764) 5.706 12.270 ( -0.346 0.000 -0.626) 0.715 12.504 ( 0.154 -0.000 0.173) 0.231 13.857 ( 2.791 -0.000 3.888) 4.786 14.186 ( 4.470 -0.000 -3.399) 5.616 14.245 ( -2.797 0.000 -1.793) 3.323 14.881 ( -1.100 0.000 -0.762) 1.338 15.166 ( -0.240 0.000 -1.966) 1.980 15.640 ( 5.021 -0.000 -2.852) 5.775 16.398 ( 0.724 -0.000 9.399) 9.427 16.453 ( -2.355 0.000 -1.734) 2.925 16.654 ( 0.478 -0.000 -1.787) 1.850 17.006 ( -6.541 0.000 1.091) 6.631 ======================= Grid point 278 (130/140) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 1.313 -1.823 0.150) 2.252 1.175 ( 1.626 -3.274 -0.670) 3.716 1.474 ( -3.297 1.537 -2.590) 4.465 1.527 ( -0.152 -0.810 -0.423) 0.926 1.604 ( 4.163 -0.041 1.128) 4.313 1.685 ( 1.719 2.679 2.672) 4.156 1.852 ( 1.435 -1.059 2.570) 3.128 1.946 ( -1.140 2.984 -0.885) 3.315 2.132 ( -0.950 0.408 -2.609) 2.807 2.182 ( -3.803 4.374 2.940) 6.499 2.394 ( 1.703 -4.861 -1.961) 5.512 2.513 ( 0.985 -1.441 2.699) 3.215 2.602 ( 2.631 -0.093 -2.379) 3.548 2.904 ( -0.427 2.508 4.374) 5.060 3.108 ( -0.245 0.247 -0.292) 0.454 3.212 ( 2.741 -0.289 -3.206) 4.228 3.287 ( 0.202 0.406 -1.900) 1.954 3.434 ( 2.124 0.278 1.883) 2.852 4.056 ( -4.346 -0.118 -0.104) 4.349 4.214 ( -1.910 -0.095 1.176) 2.245 4.749 ( -11.598 0.176 -2.044) 11.778 5.003 ( -11.485 -0.223 3.130) 11.906 5.114 ( -0.101 -0.558 0.990) 1.141 5.313 ( -5.827 -1.197 -4.575) 7.504 5.348 ( 2.153 0.432 -1.792) 2.835 5.500 ( 8.033 0.038 3.616) 8.810 6.206 ( -15.911 -2.444 17.876) 24.056 6.431 ( -7.902 -0.574 -11.856) 14.259 6.662 ( 4.579 1.385 4.634) 6.660 7.047 ( 8.828 1.317 -9.307) 12.895 7.243 ( -1.623 -0.753 -8.896) 9.074 7.586 ( 1.999 0.545 12.385) 12.557 8.668 ( 3.648 0.126 -8.940) 9.656 9.070 ( -10.892 0.019 10.676) 15.252 9.355 ( 14.109 -0.041 -6.364) 15.478 9.496 ( 2.799 -0.353 2.647) 3.868 12.266 ( -0.116 -0.167 0.114) 0.233 12.498 ( -0.745 -0.068 -1.028) 1.271 13.935 ( 5.166 1.717 7.446) 9.224 14.209 ( 1.750 2.882 -0.840) 3.475 14.293 ( 5.387 -1.746 -5.104) 7.624 14.891 ( 1.548 -1.451 -2.249) 3.092 15.130 ( -2.785 0.754 -3.071) 4.214 15.690 ( 0.184 -0.316 -0.529) 0.643 16.310 ( -7.240 3.684 3.226) 8.741 16.402 ( -7.795 -5.468 3.599) 10.179 16.688 ( 3.670 0.272 -4.125) 5.528 16.936 ( -0.430 0.066 1.432) 1.496 ======================= Grid point 279 (131/140) ======================= q-point: (-0.56 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -0.140 -3.486 0.549) 3.532 1.236 ( 1.182 -2.882 -0.517) 3.158 1.389 ( -3.918 0.043 -2.613) 4.709 1.488 ( -2.356 1.881 -0.184) 3.021 1.658 ( 1.804 2.365 0.779) 3.075 1.720 ( 3.720 4.294 2.845) 6.354 1.883 ( -1.769 3.433 0.754) 3.935 1.919 ( 3.547 -1.522 3.326) 5.095 2.055 ( -3.456 2.972 2.039) 4.993 2.151 ( 0.925 -1.116 -3.331) 3.633 2.426 ( -1.885 -2.423 -1.257) 3.317 2.479 ( -5.018 1.076 0.017) 5.132 2.655 ( 2.285 -0.564 -0.382) 2.385 2.831 ( -4.225 3.664 3.818) 6.772 3.109 ( 0.464 1.469 -0.778) 1.726 3.230 ( -2.582 -0.859 -4.327) 5.111 3.332 ( 5.167 1.890 -4.827) 7.319 3.448 ( 0.562 -0.289 3.346) 3.405 3.881 ( -15.391 -0.357 0.106) 15.396 4.160 ( -4.696 -0.935 5.885) 7.587 4.510 ( -8.562 -0.268 1.789) 8.751 4.791 ( -10.415 -1.909 2.908) 10.981 5.117 ( -1.588 -1.583 -1.647) 2.783 5.218 ( -6.280 -2.445 -7.084) 9.778 5.341 ( -3.576 -0.996 2.508) 4.480 5.652 ( 4.654 1.091 7.241) 8.676 6.013 ( -8.796 -4.934 11.888) 15.590 6.277 ( -5.623 -0.466 -15.016) 16.041 6.692 ( -0.039 1.373 2.574) 2.918 7.116 ( 0.332 2.077 -15.443) 15.586 7.208 ( -1.778 -2.925 -3.283) 4.743 7.539 ( -7.224 2.939 15.238) 17.118 8.751 ( 7.242 1.148 -12.522) 14.510 8.937 ( -4.551 0.430 11.595) 12.464 9.633 ( 11.682 -0.547 1.905) 11.849 9.651 ( 16.048 -0.624 -2.013) 16.186 12.270 ( 0.276 -0.285 0.827) 0.917 12.476 ( -1.484 -0.189 -1.954) 2.461 14.025 ( 5.976 4.520 9.658) 12.223 14.231 ( 3.679 3.538 0.282) 5.112 14.416 ( 7.671 -0.695 -6.510) 10.085 14.949 ( 2.805 -2.437 -3.587) 5.165 15.046 ( -4.499 0.490 -3.365) 5.639 15.642 ( -5.408 0.878 3.183) 6.336 16.120 ( -10.635 0.188 0.378) 10.643 16.268 ( -12.087 -5.420 1.712) 13.357 16.768 ( 6.233 0.963 -5.570) 8.414 16.988 ( 3.945 -1.982 3.314) 5.520 ======================= Grid point 280 (132/140) ======================= q-point: (-0.44 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -2.518 0.978 1.624) 3.152 1.261 ( 0.083 0.561 0.547) 0.788 1.340 ( -1.271 -0.723 -2.312) 2.736 1.432 ( -1.266 1.930 -1.543) 2.777 1.639 ( -0.489 1.782 0.768) 2.001 1.718 ( -0.302 3.621 1.360) 3.880 1.820 ( -0.581 3.511 3.251) 4.820 1.995 ( -0.455 3.154 1.678) 3.602 2.011 ( 3.145 -0.172 2.559) 4.058 2.181 ( 0.718 -1.509 -4.837) 5.118 2.330 ( -7.102 2.082 0.001) 7.400 2.378 ( -5.458 -1.887 -2.870) 6.449 2.659 ( -2.144 1.828 1.484) 3.184 2.721 ( -3.888 2.356 1.699) 4.853 3.025 ( -7.610 2.083 -3.558) 8.654 3.186 ( -1.892 -0.568 -1.257) 2.341 3.301 ( -2.275 2.168 5.633) 6.451 3.433 ( -16.565 -2.304 3.286) 17.045 3.689 ( 8.534 0.724 -13.876) 16.306 4.116 ( -1.772 -2.061 9.895) 10.261 4.466 ( 1.005 -0.547 5.509) 5.627 4.696 ( -4.493 -4.397 5.917) 8.633 5.046 ( -8.022 -2.087 -0.025) 8.289 5.086 ( -9.885 -3.519 -10.039) 14.521 5.281 ( -3.912 -3.056 8.710) 10.026 5.666 ( -2.063 0.462 1.674) 2.696 5.970 ( -1.951 -2.882 -1.557) 3.813 6.229 ( 1.141 -0.483 -7.698) 7.798 6.660 ( -2.885 0.030 2.314) 3.698 6.972 ( -6.886 3.180 -22.203) 23.463 7.233 ( -2.617 -4.967 5.532) 7.881 7.367 ( -8.361 1.627 14.258) 16.609 8.844 ( 6.339 3.204 -11.724) 13.707 8.907 ( -0.062 2.112 10.528) 10.737 9.894 ( 14.661 -1.116 0.711) 14.720 9.957 ( 15.151 -0.438 -0.151) 15.158 12.286 ( 0.952 -0.342 1.400) 1.727 12.442 ( -1.999 -0.299 -2.419) 3.152 14.092 ( 5.310 6.882 10.268) 13.454 14.264 ( 3.689 5.028 -1.597) 6.438 14.574 ( 9.371 -1.046 -5.996) 11.174 14.959 ( -1.971 -0.109 -3.676) 4.172 15.028 ( 1.114 -4.116 -2.067) 4.739 15.499 ( -7.895 2.111 7.804) 11.300 15.924 ( -12.106 -3.144 -1.227) 12.567 16.079 ( -12.969 -4.713 -1.351) 13.864 16.882 ( 8.062 1.257 -6.819) 10.633 17.100 ( 3.662 -3.538 4.151) 6.569 ======================= Grid point 281 (133/140) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -1.576 5.691 1.382) 6.064 1.210 ( -2.790 5.614 -0.120) 6.270 1.307 ( -0.547 4.708 -0.974) 4.839 1.364 ( -3.368 4.633 -0.569) 5.756 1.639 ( -0.344 -1.911 4.443) 4.849 1.694 ( -0.861 -1.817 -4.657) 5.072 1.823 ( 4.145 1.870 4.287) 6.250 1.957 ( 0.186 4.378 0.505) 4.411 1.994 ( -2.762 4.042 0.817) 4.963 2.149 ( -5.213 -1.117 -5.320) 7.532 2.245 ( -1.894 -2.337 3.329) 4.487 2.304 ( -2.913 -3.301 -3.939) 5.907 2.573 ( -3.070 3.074 4.422) 6.198 2.638 ( -3.679 1.229 -3.222) 5.042 2.881 ( -3.716 0.951 -1.365) 4.071 3.083 ( -15.727 -0.338 3.840) 16.193 3.194 ( 0.922 0.869 -2.241) 2.575 3.267 ( -1.465 1.494 4.586) 5.041 3.931 ( 15.490 -1.473 -16.474) 22.661 4.167 ( 2.555 -1.040 12.949) 13.239 4.518 ( 1.220 -1.754 7.638) 7.931 4.669 ( -6.170 -6.003 8.696) 12.236 4.903 ( -8.931 -3.067 -9.673) 13.518 4.912 ( -7.826 -2.629 -3.883) 9.123 5.311 ( 1.996 -3.679 11.033) 11.800 5.575 ( -7.280 -1.863 -6.891) 10.196 6.021 ( 6.425 0.450 -6.137) 8.897 6.228 ( -1.534 1.323 0.711) 2.147 6.598 ( -3.326 0.006 4.388) 5.506 6.773 ( -8.768 1.661 -14.093) 16.680 7.210 ( -0.417 -1.594 5.064) 5.325 7.313 ( -3.837 -5.923 5.203) 8.768 8.882 ( 3.556 4.500 -8.877) 10.569 8.902 ( 0.561 3.883 8.235) 9.122 10.154 ( 10.831 -1.120 -1.329) 10.970 10.192 ( 8.797 -0.449 1.405) 8.919 12.317 ( 1.720 -0.460 1.793) 2.526 12.402 ( -2.224 -0.467 -2.375) 3.287 14.124 ( 4.164 7.749 9.266) 12.777 14.241 ( 0.197 6.822 -5.495) 8.762 14.762 ( 8.675 -3.491 -3.616) 10.026 14.999 ( 8.166 -0.247 -5.221) 9.696 15.032 ( -5.934 -4.285 1.299) 7.434 15.403 ( -3.586 -1.895 12.399) 13.045 15.718 ( -11.137 -1.623 0.085) 11.255 15.884 ( -11.226 -3.012 -6.377) 13.258 17.017 ( 8.135 0.235 -7.108) 10.805 17.176 ( -0.321 -3.114 4.515) 5.494 ======================= Grid point 282 (134/140) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 1.059 7.269 -9.755) 12.212 1.069 ( -1.059 7.269 9.755) 12.212 1.242 ( 0.304 9.141 -6.856) 11.431 1.242 ( -0.304 9.141 6.856) 11.431 1.685 ( -1.377 -4.382 -4.524) 6.447 1.685 ( 1.377 -4.382 4.524) 6.447 1.878 ( -2.556 5.186 -1.533) 5.982 1.878 ( 2.556 5.186 1.533) 5.982 2.037 ( -6.047 -3.707 -5.548) 9.005 2.037 ( 6.047 -3.707 5.548) 9.005 2.286 ( -1.070 -2.312 -6.132) 6.640 2.286 ( 1.070 -2.312 6.132) 6.640 2.551 ( -2.037 1.987 -3.698) 4.666 2.551 ( 2.037 1.987 3.698) 4.666 2.878 ( -4.107 1.049 0.622) 4.284 2.878 ( 4.107 1.049 -0.622) 4.284 3.225 ( 1.331 0.777 -3.067) 3.432 3.225 ( -1.331 0.777 3.067) 3.432 4.164 ( 8.143 -0.591 -14.872) 16.965 4.164 ( -8.143 -0.591 14.872) 16.965 4.602 ( -4.867 -4.924 -5.140) 8.623 4.602 ( 4.867 -4.924 5.140) 8.623 4.843 ( 0.464 -2.153 -2.816) 3.575 4.843 ( -0.464 -2.153 2.816) 3.575 5.449 ( -5.836 -3.561 -12.911) 14.609 5.449 ( 5.836 -3.561 12.911) 14.609 6.132 ( 3.390 2.796 -9.869) 10.803 6.132 ( -3.390 2.796 9.869) 10.803 6.608 ( -1.960 0.732 -13.198) 13.363 6.608 ( 1.960 0.732 13.198) 13.363 7.297 ( 4.636 -5.437 -2.283) 7.501 7.297 ( -4.636 -5.437 2.283) 7.501 8.868 ( 1.328 4.677 -10.981) 12.010 8.868 ( -1.328 4.677 10.981) 12.010 10.277 ( 0.918 -0.944 -1.928) 2.335 10.277 ( -0.918 -0.944 1.928) 2.335 12.363 ( -2.176 -0.681 -2.080) 3.086 12.363 ( 2.176 -0.681 2.080) 3.086 14.132 ( -2.906 7.186 -7.624) 10.872 14.132 ( 2.906 7.186 7.624) 10.872 14.932 ( 3.416 -2.935 -2.278) 5.047 14.932 ( -3.416 -2.935 2.278) 5.047 15.266 ( 17.123 -3.848 -8.376) 19.446 15.266 ( -17.123 -3.848 8.376) 19.446 15.700 ( -8.330 -0.320 -6.467) 10.551 15.700 ( 8.330 -0.320 6.467) 10.551 17.147 ( 3.300 -1.457 -9.558) 10.216 17.147 ( -3.300 -1.457 9.558) 10.216 ======================= Grid point 288 (135/140) ======================= q-point: (-0.67 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 0.370 -0.000 0.699) 0.791 1.202 ( 2.281 -0.000 -1.261) 2.606 1.388 ( -4.668 0.000 -2.511) 5.300 1.503 ( -2.380 0.000 0.218) 2.390 1.679 ( 3.045 -0.000 1.055) 3.223 1.784 ( 5.274 -0.000 3.653) 6.415 1.885 ( 2.296 -0.000 3.232) 3.964 1.928 ( -2.232 0.000 0.220) 2.243 2.112 ( -4.206 0.000 3.137) 5.247 2.113 ( -0.592 0.000 -5.098) 5.133 2.405 ( 0.417 -0.000 -1.466) 1.524 2.487 ( -3.691 0.000 1.547) 4.002 2.647 ( 2.629 -0.000 -1.308) 2.937 2.869 ( -4.955 0.000 3.326) 5.967 3.128 ( 1.721 -0.000 1.245) 2.124 3.216 ( -2.808 0.000 -6.601) 7.173 3.354 ( 7.250 -0.000 -6.658) 9.843 3.443 ( -2.788 0.000 6.496) 7.069 3.878 ( -14.685 0.000 -0.972) 14.717 4.150 ( -5.291 0.000 5.634) 7.729 4.508 ( -8.723 0.000 1.454) 8.843 4.771 ( -11.659 0.000 4.459) 12.482 5.101 ( -1.403 0.000 -2.241) 2.644 5.193 ( -6.462 0.000 -7.319) 9.763 5.331 ( -4.848 0.000 3.993) 6.281 5.670 ( 6.283 -0.000 5.253) 8.189 5.958 ( -9.247 0.000 12.439) 15.500 6.272 ( -5.483 0.000 -14.757) 15.743 6.709 ( -0.573 0.000 2.743) 2.802 7.111 ( -0.447 0.000 0.755) 0.878 7.201 ( -2.178 0.000 -20.474) 20.590 7.568 ( -7.023 0.000 16.639) 18.061 8.762 ( 7.920 -0.000 -12.854) 15.098 8.941 ( -4.033 0.000 11.566) 12.249 9.627 ( 10.645 -0.000 3.136) 11.097 9.645 ( 16.945 -0.000 -2.950) 17.200 12.267 ( 0.297 -0.000 0.825) 0.877 12.474 ( -1.487 0.000 -2.057) 2.538 14.073 ( 6.625 -0.000 10.968) 12.814 14.276 ( 4.130 -0.000 3.611) 5.486 14.401 ( 7.380 -0.000 -9.768) 12.242 14.922 ( 2.870 -0.000 -5.554) 6.252 15.054 ( -4.864 0.000 -4.172) 6.408 15.647 ( -4.889 0.000 2.271) 5.391 16.167 ( -11.936 0.000 3.974) 12.580 16.170 ( -11.728 0.000 0.014) 11.728 16.777 ( 6.549 -0.000 -5.583) 8.606 16.969 ( 3.022 -0.000 3.687) 4.767 ======================= Grid point 290 (136/140) ======================= q-point: (-0.56 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 1.660 -0.863 0.813) 2.040 1.251 ( 2.224 -0.999 0.833) 2.576 1.310 ( -3.068 -0.829 -2.664) 4.146 1.455 ( -2.148 0.505 -0.364) 2.237 1.690 ( -1.124 1.887 1.973) 2.953 1.804 ( -2.019 3.527 -2.072) 4.562 1.893 ( 1.133 3.993 5.171) 6.631 1.971 ( 3.310 -3.487 5.770) 7.511 2.057 ( 0.167 3.006 -2.152) 3.701 2.124 ( -0.083 -3.516 -4.542) 5.744 2.368 ( -3.929 0.427 -2.200) 4.523 2.378 ( -6.982 1.714 -0.038) 7.190 2.680 ( 0.371 0.376 -2.357) 2.415 2.757 ( -6.180 1.111 4.484) 7.715 3.078 ( -7.353 3.425 -2.963) 8.636 3.148 ( -4.766 -3.271 -1.801) 6.054 3.344 ( -4.520 2.283 5.186) 7.249 3.389 ( -9.899 -2.207 2.296) 10.399 3.704 ( 5.357 0.632 -13.733) 14.754 4.085 ( -1.684 -0.978 9.564) 9.760 4.461 ( 1.378 -0.070 5.973) 6.130 4.627 ( -6.775 -2.186 9.571) 11.928 5.017 ( -8.001 -0.795 -1.066) 8.111 5.034 ( -9.894 -1.563 -10.989) 14.869 5.242 ( -3.824 -0.967 8.917) 9.751 5.681 ( -4.452 0.687 1.168) 4.653 5.923 ( 1.950 -1.537 0.672) 2.572 6.218 ( 1.229 -0.443 -10.065) 10.149 6.669 ( -3.416 0.532 3.643) 5.023 7.005 ( -9.144 0.415 -18.967) 21.060 7.156 ( -0.547 -2.082 -1.968) 2.916 7.403 ( -11.363 1.193 18.050) 21.362 8.888 ( 7.257 1.210 -11.641) 13.771 8.936 ( 1.050 0.827 10.344) 10.430 9.879 ( 14.817 -0.418 0.540) 14.833 9.951 ( 15.263 -0.161 0.390) 15.269 12.281 ( 0.992 -0.126 1.469) 1.777 12.438 ( -1.968 -0.092 -2.616) 3.275 14.197 ( 6.144 3.194 11.993) 13.849 14.361 ( 5.775 4.572 4.055) 8.408 14.527 ( 6.280 -3.220 -9.507) 11.840 14.949 ( -2.561 -0.927 -6.985) 7.497 14.979 ( 0.915 -0.800 -5.334) 5.470 15.518 ( -9.107 0.134 6.404) 11.134 15.914 ( -11.712 2.014 0.033) 11.884 15.986 ( -12.078 -4.710 0.129) 12.964 16.902 ( 7.878 0.697 -7.193) 10.691 17.047 ( 3.391 -1.595 5.771) 6.881 ======================= Grid point 291 (137/140) ======================= q-point: (-0.44 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.710 3.156 2.081) 3.847 1.271 ( -0.473 0.398 1.346) 1.481 1.321 ( 1.693 -1.579 -2.366) 3.310 1.405 ( -2.746 1.117 -1.584) 3.361 1.652 ( 0.086 2.045 1.720) 2.673 1.719 ( -1.844 2.753 -3.013) 4.479 1.874 ( 0.268 3.507 5.825) 6.804 2.013 ( -2.221 -0.033 1.311) 2.579 2.046 ( -0.031 1.096 1.235) 1.652 2.114 ( -5.268 -2.267 -5.281) 7.796 2.250 ( -2.110 2.842 -0.052) 3.540 2.270 ( -3.219 0.516 -2.478) 4.095 2.625 ( -3.096 2.211 2.906) 4.787 2.662 ( -3.797 0.836 -2.475) 4.609 2.910 ( -4.302 2.154 -0.661) 4.856 3.045 ( -10.439 -3.496 3.207) 11.466 3.215 ( -2.197 1.046 -3.151) 3.981 3.293 ( -2.857 1.223 4.957) 5.851 3.903 ( 14.656 -1.184 -18.057) 23.286 4.149 ( 4.166 -0.796 12.937) 13.614 4.492 ( -3.801 -1.125 11.991) 12.629 4.567 ( -2.948 -4.002 11.066) 12.131 4.835 ( -10.022 -3.033 -13.692) 17.237 4.875 ( -6.801 -1.369 -3.570) 7.803 5.260 ( 2.790 -1.640 9.766) 10.288 5.549 ( -8.445 -0.902 -5.437) 10.084 6.023 ( 7.601 -0.055 -3.484) 8.361 6.234 ( -0.463 -0.362 -2.913) 2.972 6.604 ( -3.061 0.561 7.797) 8.395 6.789 ( -9.458 0.195 -18.404) 20.693 7.171 ( -0.398 -2.616 -0.700) 2.737 7.246 ( -6.491 -0.980 12.664) 14.264 8.955 ( 3.555 2.876 -6.251) 7.745 8.965 ( 1.694 2.406 5.669) 6.387 10.138 ( 11.239 -0.545 -1.774) 11.391 10.186 ( 8.712 -0.198 2.198) 8.987 12.311 ( 1.719 -0.195 1.948) 2.606 12.396 ( -2.209 -0.170 -2.635) 3.442 14.269 ( 4.579 6.656 11.599) 14.135 14.379 ( 1.845 7.609 -3.964) 8.776 14.672 ( 5.811 -6.001 -3.423) 9.028 14.918 ( -3.433 -4.944 -2.541) 6.533 15.020 ( 5.179 0.294 -8.389) 9.864 15.360 ( -9.572 -2.072 10.157) 14.110 15.716 ( -6.868 1.187 0.152) 6.972 15.822 ( -9.357 -3.316 -2.796) 10.313 17.023 ( 6.822 0.461 -7.397) 10.073 17.121 ( 0.809 -2.312 6.233) 6.697 ======================= Grid point 292 (138/140) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -0.785 5.510 -7.211) 9.109 1.198 ( 0.785 5.510 7.211) 9.109 1.347 ( 0.500 1.575 -1.778) 2.428 1.347 ( -0.500 1.575 1.778) 2.428 1.660 ( -2.017 1.713 -3.805) 4.634 1.660 ( 2.017 1.713 3.805) 4.634 1.947 ( -5.476 -2.314 -3.747) 7.027 1.947 ( 5.476 -2.314 3.747) 7.027 2.005 ( 1.018 3.993 -1.478) 4.378 2.005 ( -1.018 3.993 1.478) 4.378 2.245 ( -0.876 -0.937 -4.216) 4.407 2.245 ( 0.876 -0.937 4.216) 4.407 2.591 ( -0.789 1.975 -5.497) 5.894 2.591 ( 0.789 1.975 5.497) 5.894 2.900 ( -0.967 0.902 -0.685) 1.490 2.900 ( 0.967 0.902 0.685) 1.490 3.235 ( 2.589 0.211 -2.975) 3.950 3.235 ( -2.589 0.211 2.975) 3.950 4.146 ( 10.134 -1.231 -17.365) 20.144 4.146 ( -10.134 -1.231 17.365) 20.144 4.518 ( -5.134 -3.586 -7.415) 9.706 4.518 ( 5.134 -3.586 7.415) 9.706 4.791 ( -0.742 -2.816 -0.467) 2.950 4.791 ( 0.742 -2.816 0.467) 2.950 5.395 ( -6.976 -2.001 -10.516) 12.777 5.395 ( 6.976 -2.001 10.516) 12.777 6.163 ( 0.374 0.606 -6.036) 6.077 6.163 ( -0.374 0.606 6.036) 6.077 6.621 ( -3.652 0.581 -14.732) 15.189 6.621 ( 3.652 0.581 14.732) 15.189 7.209 ( 0.802 -3.467 -4.792) 5.969 7.209 ( -0.802 -3.467 4.792) 5.969 8.953 ( 0.915 3.864 -10.166) 10.914 8.953 ( -0.915 3.864 10.166) 10.914 10.263 ( 1.431 -0.479 -2.480) 2.903 10.263 ( -1.431 -0.479 2.480) 2.903 12.353 ( -2.155 -0.307 -2.258) 3.136 12.353 ( 2.155 -0.307 2.258) 3.136 14.280 ( -2.450 8.018 -9.123) 12.390 14.280 ( 2.450 8.018 9.123) 12.390 14.852 ( -3.460 -5.401 -1.679) 6.630 14.852 ( 3.460 -5.401 1.679) 6.630 15.198 ( 12.459 -2.888 -9.840) 16.136 15.198 ( -12.459 -2.888 9.840) 16.136 15.694 ( -5.015 -0.312 -3.795) 6.296 15.694 ( 5.015 -0.312 3.795) 6.296 17.120 ( 2.845 -1.264 -9.724) 10.210 17.120 ( -2.845 -1.264 9.724) 10.210 ======================= Grid point 300 (139/140) ======================= q-point: (-0.56 0.44 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 2.513 -0.000 1.369) 2.861 1.260 ( -0.981 0.000 0.680) 1.194 1.303 ( 3.283 -0.000 -0.075) 3.284 1.419 ( -2.080 0.000 -2.035) 2.910 1.676 ( -0.471 0.000 1.261) 1.346 1.750 ( -2.800 0.000 -3.872) 4.778 1.947 ( -4.335 0.000 9.778) 10.696 1.958 ( -1.978 0.000 0.617) 2.072 2.067 ( -1.476 0.000 -2.811) 3.175 2.082 ( -0.295 0.000 -3.901) 3.912 2.287 ( -2.440 0.000 1.311) 2.770 2.293 ( -2.562 0.000 -3.281) 4.163 2.657 ( -2.191 0.000 -6.238) 6.612 2.660 ( -4.799 0.000 6.023) 7.701 2.965 ( -7.214 0.000 0.366) 7.223 2.971 ( -6.035 0.000 1.231) 6.160 3.225 ( -3.223 0.000 -2.537) 4.102 3.307 ( -3.668 0.000 4.873) 6.099 3.891 ( 14.049 -0.000 -18.552) 23.271 4.140 ( 4.904 -0.000 13.001) 13.895 4.478 ( -9.855 0.000 17.437) 20.029 4.529 ( 2.891 -0.000 7.904) 8.416 4.804 ( -10.295 0.000 -14.189) 17.530 4.861 ( -6.805 0.000 -4.334) 8.068 5.245 ( 3.035 -0.000 9.167) 9.656 5.540 ( -8.868 0.000 -4.728) 10.050 6.022 ( 7.847 -0.000 -2.129) 8.130 6.229 ( -0.054 0.000 -4.543) 4.543 6.612 ( -3.172 0.000 9.562) 10.075 6.789 ( -9.605 0.000 -19.425) 21.670 7.142 ( 0.551 -0.000 -4.348) 4.382 7.241 ( -8.234 0.000 15.841) 17.853 8.985 ( 4.085 -0.000 -10.084) 10.880 8.988 ( 1.620 -0.000 9.526) 9.663 10.133 ( 11.427 -0.000 -2.009) 11.602 10.184 ( 8.710 -0.000 2.531) 9.070 12.309 ( 1.739 -0.000 2.034) 2.676 12.395 ( -2.188 0.000 -2.751) 3.514 14.341 ( 5.325 -0.000 12.878) 13.935 14.525 ( -1.202 0.000 -12.865) 12.921 14.541 ( 8.285 -0.000 8.895) 12.156 14.863 ( -5.058 0.000 -7.462) 9.015 15.022 ( 5.665 -0.000 -9.487) 11.050 15.338 ( -10.844 0.000 9.233) 14.242 15.745 ( -7.098 0.000 -0.783) 7.141 15.773 ( -7.430 0.000 -0.100) 7.430 17.030 ( 6.316 -0.000 -8.862) 10.883 17.096 ( 1.257 -0.000 8.135) 8.232 ======================= Grid point 302 (140/140) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -0.989 0.716 -0.846) 1.486 1.256 ( 0.989 0.716 0.846) 1.486 1.361 ( -2.595 0.796 -2.243) 3.521 1.361 ( 2.595 0.796 2.243) 3.521 1.700 ( -2.611 1.428 -1.554) 3.357 1.700 ( 2.611 1.428 1.554) 3.357 1.893 ( -1.510 -1.856 -7.019) 7.416 1.893 ( 1.510 -1.856 7.019) 7.416 2.064 ( -0.756 1.105 -2.963) 3.252 2.064 ( 0.756 1.105 2.963) 3.252 2.266 ( 0.145 2.007 -1.092) 2.289 2.266 ( -0.145 2.007 1.092) 2.289 2.617 ( 0.102 0.656 -6.332) 6.367 2.617 ( -0.102 0.656 6.332) 6.367 2.907 ( 0.215 -0.046 -0.926) 0.952 2.907 ( -0.215 -0.046 0.926) 0.952 3.236 ( 3.521 0.031 -2.550) 4.347 3.236 ( -3.521 0.031 2.550) 4.347 4.125 ( 11.765 -0.726 -19.176) 22.509 4.125 ( -11.765 -0.726 19.176) 22.509 4.471 ( -7.334 -1.235 -8.618) 11.383 4.471 ( 7.334 -1.235 8.618) 11.383 4.750 ( -4.485 -1.198 -0.673) 4.691 4.750 ( 4.485 -1.198 0.673) 4.691 5.371 ( -7.851 -0.626 -8.328) 11.463 5.371 ( 7.851 -0.626 8.328) 11.463 6.165 ( -4.851 -0.084 -1.691) 5.138 6.165 ( 4.851 -0.084 1.691) 5.138 6.628 ( -3.713 0.169 -16.487) 16.901 6.628 ( 3.713 0.169 16.487) 16.901 7.165 ( 2.686 -1.127 -8.957) 9.419 7.165 ( -2.686 -1.127 8.957) 9.419 9.006 ( 0.708 1.507 -9.542) 9.686 9.006 ( -0.708 1.507 9.542) 9.686 10.258 ( 1.702 -0.127 -2.987) 3.440 10.258 ( -1.702 -0.127 2.987) 3.440 12.350 ( -2.152 -0.071 -2.453) 3.264 12.350 ( 2.152 -0.071 2.453) 3.264 14.420 ( -3.279 5.450 -11.776) 13.384 14.420 ( 3.279 5.450 11.776) 13.384 14.743 ( -7.304 -4.761 -6.493) 10.871 14.743 ( 7.304 -4.761 6.493) 10.871 15.162 ( 10.120 -0.927 -10.276) 14.452 15.162 ( -10.120 -0.927 10.276) 14.452 15.690 ( -1.443 -0.118 -1.321) 1.959 15.690 ( 1.443 -0.118 1.321) 1.959 17.102 ( 2.568 -0.491 -9.271) 9.632 17.102 ( -2.568 -0.491 9.271) 9.632 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/23328 10.0 74.725 73.367 66.390 0.000 -7.223 -0.000 3/23328 20.0 13.571 12.140 12.129 0.000 -0.780 -0.000 3/23328 30.0 6.092 5.359 5.369 0.000 -0.270 -0.000 3/23328 40.0 3.838 3.297 3.336 0.000 -0.159 -0.000 3/23328 50.0 2.844 2.364 2.462 0.000 -0.121 -0.000 3/23328 60.0 2.308 1.844 2.006 0.000 -0.105 -0.000 3/23328 70.0 1.978 1.517 1.734 0.000 -0.097 -0.000 3/23328 80.0 1.755 1.293 1.551 0.000 -0.093 -0.000 3/23328 90.0 1.593 1.129 1.417 0.000 -0.090 -0.000 3/23328 100.0 1.466 1.004 1.310 0.000 -0.087 -0.000 3/23328 110.0 1.363 0.906 1.222 0.000 -0.085 -0.000 3/23328 120.0 1.275 0.825 1.146 0.000 -0.083 -0.000 3/23328 130.0 1.200 0.759 1.079 0.000 -0.080 -0.000 3/23328 140.0 1.133 0.703 1.019 0.000 -0.078 -0.000 3/23328 150.0 1.074 0.655 0.966 0.000 -0.076 -0.000 3/23328 160.0 1.021 0.613 0.917 0.000 -0.073 -0.000 3/23328 170.0 0.973 0.576 0.874 0.000 -0.071 -0.000 3/23328 180.0 0.929 0.544 0.834 0.000 -0.068 -0.000 3/23328 190.0 0.889 0.515 0.797 0.000 -0.066 -0.000 3/23328 200.0 0.852 0.489 0.763 0.000 -0.064 -0.000 3/23328 210.0 0.819 0.466 0.733 0.000 -0.062 -0.000 3/23328 220.0 0.787 0.445 0.704 0.000 -0.060 -0.000 3/23328 230.0 0.758 0.426 0.677 0.000 -0.058 -0.000 3/23328 240.0 0.731 0.408 0.653 0.000 -0.057 -0.000 3/23328 250.0 0.706 0.392 0.630 0.000 -0.055 -0.000 3/23328 260.0 0.682 0.377 0.608 0.000 -0.053 -0.000 3/23328 270.0 0.660 0.363 0.588 0.000 -0.052 -0.000 3/23328 280.0 0.640 0.350 0.570 0.000 -0.051 -0.000 3/23328 290.0 0.620 0.339 0.552 0.000 -0.049 -0.000 3/23328 300.0 0.602 0.327 0.535 0.000 -0.048 -0.000 3/23328 310.0 0.585 0.317 0.520 0.000 -0.047 -0.000 3/23328 320.0 0.568 0.307 0.505 0.000 -0.046 -0.000 3/23328 330.0 0.553 0.298 0.491 0.000 -0.044 -0.000 3/23328 340.0 0.538 0.289 0.478 0.000 -0.043 -0.000 3/23328 350.0 0.524 0.281 0.465 0.000 -0.042 -0.000 3/23328 360.0 0.511 0.274 0.453 0.000 -0.041 -0.000 3/23328 370.0 0.498 0.266 0.442 0.000 -0.040 -0.000 3/23328 380.0 0.487 0.259 0.431 0.000 -0.040 -0.000 3/23328 390.0 0.475 0.253 0.421 0.000 -0.039 -0.000 3/23328 400.0 0.464 0.247 0.411 0.000 -0.038 -0.000 3/23328 410.0 0.454 0.241 0.402 0.000 -0.037 -0.000 3/23328 420.0 0.444 0.235 0.393 0.000 -0.036 -0.000 3/23328 430.0 0.434 0.230 0.384 0.000 -0.036 -0.000 3/23328 440.0 0.425 0.224 0.376 0.000 -0.035 -0.000 3/23328 450.0 0.416 0.219 0.368 0.000 -0.034 -0.000 3/23328 460.0 0.408 0.215 0.360 0.000 -0.034 -0.000 3/23328 470.0 0.400 0.210 0.353 0.000 -0.033 -0.000 3/23328 480.0 0.392 0.206 0.346 0.000 -0.032 -0.000 3/23328 490.0 0.384 0.202 0.339 0.000 -0.032 -0.000 3/23328 500.0 0.377 0.198 0.333 0.000 -0.031 -0.000 3/23328 510.0 0.370 0.194 0.327 0.000 -0.031 -0.000 3/23328 520.0 0.363 0.190 0.321 0.000 -0.030 -0.000 3/23328 530.0 0.357 0.187 0.315 0.000 -0.030 -0.000 3/23328 540.0 0.351 0.183 0.309 0.000 -0.029 -0.000 3/23328 550.0 0.345 0.180 0.304 0.000 -0.029 -0.000 3/23328 560.0 0.339 0.177 0.299 0.000 -0.028 -0.000 3/23328 570.0 0.333 0.174 0.294 0.000 -0.028 -0.000 3/23328 580.0 0.328 0.171 0.289 0.000 -0.027 -0.000 3/23328 590.0 0.322 0.168 0.284 0.000 -0.027 -0.000 3/23328 600.0 0.317 0.165 0.280 0.000 -0.026 -0.000 3/23328 610.0 0.312 0.162 0.275 0.000 -0.026 -0.000 3/23328 620.0 0.308 0.160 0.271 0.000 -0.026 -0.000 3/23328 630.0 0.303 0.157 0.267 0.000 -0.025 -0.000 3/23328 640.0 0.298 0.155 0.263 0.000 -0.025 -0.000 3/23328 650.0 0.294 0.153 0.259 0.000 -0.025 -0.000 3/23328 660.0 0.290 0.150 0.255 0.000 -0.024 -0.000 3/23328 670.0 0.285 0.148 0.251 0.000 -0.024 -0.000 3/23328 680.0 0.281 0.146 0.248 0.000 -0.024 -0.000 3/23328 690.0 0.278 0.144 0.244 0.000 -0.023 -0.000 3/23328 700.0 0.274 0.142 0.241 0.000 -0.023 -0.000 3/23328 710.0 0.270 0.140 0.238 0.000 -0.023 -0.000 3/23328 720.0 0.266 0.138 0.235 0.000 -0.022 -0.000 3/23328 730.0 0.263 0.136 0.231 0.000 -0.022 -0.000 3/23328 740.0 0.259 0.134 0.228 0.000 -0.022 -0.000 3/23328 750.0 0.256 0.132 0.225 0.000 -0.022 -0.000 3/23328 760.0 0.253 0.131 0.223 0.000 -0.021 -0.000 3/23328 770.0 0.250 0.129 0.220 0.000 -0.021 -0.000 3/23328 780.0 0.247 0.127 0.217 0.000 -0.021 -0.000 3/23328 790.0 0.244 0.126 0.214 0.000 -0.021 -0.000 3/23328 800.0 0.241 0.124 0.212 0.000 -0.020 -0.000 3/23328 810.0 0.238 0.123 0.209 0.000 -0.020 -0.000 3/23328 820.0 0.235 0.121 0.207 0.000 -0.020 -0.000 3/23328 830.0 0.232 0.120 0.204 0.000 -0.020 -0.000 3/23328 840.0 0.229 0.118 0.202 0.000 -0.019 -0.000 3/23328 850.0 0.227 0.117 0.200 0.000 -0.019 -0.000 3/23328 860.0 0.224 0.116 0.197 0.000 -0.019 -0.000 3/23328 870.0 0.222 0.114 0.195 0.000 -0.019 -0.000 3/23328 880.0 0.219 0.113 0.193 0.000 -0.019 -0.000 3/23328 890.0 0.217 0.112 0.191 0.000 -0.018 -0.000 3/23328 900.0 0.215 0.110 0.189 0.000 -0.018 -0.000 3/23328 910.0 0.212 0.109 0.187 0.000 -0.018 -0.000 3/23328 920.0 0.210 0.108 0.185 0.000 -0.018 -0.000 3/23328 930.0 0.208 0.107 0.183 0.000 -0.018 -0.000 3/23328 940.0 0.206 0.106 0.181 0.000 -0.017 -0.000 3/23328 950.0 0.204 0.105 0.179 0.000 -0.017 -0.000 3/23328 960.0 0.201 0.104 0.177 0.000 -0.017 -0.000 3/23328 970.0 0.199 0.103 0.175 0.000 -0.017 -0.000 3/23328 980.0 0.197 0.102 0.174 0.000 -0.017 -0.000 3/23328 990.0 0.196 0.100 0.172 0.000 -0.017 -0.000 3/23328 1000.0 0.194 0.099 0.170 0.000 -0.016 -0.000 3/23328 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:30:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|