----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:44:49]------------------------- 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: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.035037435000000 -4.031312205000000 0.000000000000000 b 5.035037435000000 4.031312205000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.149670710000001 Atomic positions (fractional): *1 Si 0.64929000128952 0.09433132363654 0.05744700379042 28.085 2 Si 0.14929000128952 0.59433132363654 0.44255299620958 28.085 3 Si 0.09433132363654 0.64929000128952 0.94255299620958 28.085 *4 Si 0.07497426544896 0.17839093972583 0.77602838503225 28.085 5 Si 0.32160906027418 0.42502573455104 0.72397161496775 28.085 6 Si 0.57497426544896 0.67839093972582 0.72397161496775 28.085 7 Si 0.90566867636346 0.35070999871048 0.05744700379042 28.085 8 Si 0.92502573455104 0.82160906027418 0.22397161496776 28.085 9 Si 0.82160906027418 0.92502573455104 0.77602838503225 28.085 10 Si 0.17839093972582 0.07497426544896 0.22397161496776 28.085 11 Si 0.85070999871048 0.40566867636346 0.55744700379042 28.085 12 Si 0.67839093972582 0.57497426544896 0.27602838503225 28.085 13 Si 0.42502573455104 0.32160906027418 0.27602838503225 28.085 14 Si 0.59433132363654 0.14929000128952 0.55744700379042 28.085 15 Si 0.40566867636346 0.85070999871048 0.44255299620958 28.085 16 Si 0.35070999871048 0.90566867636346 0.94255299620958 28.085 *17 Ru 0.28615276673598 0.28615276673598 0.00000000000000 101.070 18 Ru 0.21384723326402 0.21384723326402 0.50000000000000 101.070 *19 Ru 0.68733658992018 0.31266341007982 0.81855923674285 101.070 20 Ru 0.71384723326402 0.71384723326402 0.00000000000000 101.070 21 Ru 0.18733658992018 0.81266341007982 0.68144076325715 101.070 22 Ru 0.31266341007982 0.68733658992018 0.18144076325715 101.070 23 Ru 0.78615276673598 0.78615276673598 0.50000000000000 101.070 24 Ru 0.81266341007982 0.18733658992018 0.31855923674285 101.070 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.070074869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.062624410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.149670710000001 Atomic positions (fractional): *1 Si 0.37181066246303 0.72252066117351 0.05744700379042 28.085 > 1 2 Si 0.37181066246303 0.22252066117351 0.44255299620958 28.085 > 2 3 Si 0.37181066246303 0.27747933882649 0.94255299620958 28.085 > 3 *4 Si 0.12668260258739 0.05170833713843 0.77602838503225 28.085 > 4 5 Si 0.37331739741261 0.05170833713843 0.72397161496775 28.085 > 5 6 Si 0.62668260258739 0.05170833713843 0.72397161496775 28.085 > 6 7 Si 0.62818933753697 0.72252066117351 0.05744700379042 28.085 > 7 8 Si 0.87331739741261 0.94829166286157 0.22397161496776 28.085 > 8 9 Si 0.87331739741261 0.05170833713843 0.77602838503225 28.085 > 9 10 Si 0.12668260258739 0.94829166286157 0.22397161496776 28.085 > 10 11 Si 0.62818933753697 0.77747933882649 0.55744700379042 28.085 > 11 12 Si 0.62668260258739 0.94829166286157 0.27602838503225 28.085 > 12 13 Si 0.37331739741261 0.94829166286157 0.27602838503225 28.085 > 13 14 Si 0.37181066246303 0.77747933882649 0.55744700379042 28.085 > 14 15 Si 0.62818933753697 0.22252066117351 0.44255299620958 28.085 > 15 16 Si 0.62818933753697 0.27747933882649 0.94255299620958 28.085 > 16 17 Si 0.87181066246303 0.22252066117351 0.05744700379042 28.085 > 1 18 Si 0.87181066246303 0.72252066117351 0.44255299620958 28.085 > 2 19 Si 0.87181066246303 0.77747933882649 0.94255299620958 28.085 > 3 20 Si 0.62668260258739 0.55170833713843 0.77602838503225 28.085 > 4 21 Si 0.87331739741261 0.55170833713843 0.72397161496775 28.085 > 5 22 Si 0.12668260258739 0.55170833713843 0.72397161496775 28.085 > 6 23 Si 0.12818933753697 0.22252066117351 0.05744700379042 28.085 > 7 24 Si 0.37331739741261 0.44829166286157 0.22397161496776 28.085 > 8 25 Si 0.37331739741261 0.55170833713843 0.77602838503225 28.085 > 9 26 Si 0.62668260258739 0.44829166286157 0.22397161496776 28.085 > 10 27 Si 0.12818933753697 0.27747933882649 0.55744700379042 28.085 > 11 28 Si 0.12668260258739 0.44829166286157 0.27602838503225 28.085 > 12 29 Si 0.87331739741261 0.44829166286157 0.27602838503225 28.085 > 13 30 Si 0.87181066246303 0.27747933882649 0.55744700379042 28.085 > 14 31 Si 0.12818933753697 0.72252066117351 0.44255299620958 28.085 > 15 32 Si 0.12818933753697 0.77747933882649 0.94255299620958 28.085 > 16 *33 Ru 0.28615276673598 0.00000000000000 0.00000000000000 101.070 > 17 34 Ru 0.21384723326402 0.00000000000000 0.50000000000000 101.070 > 18 *35 Ru 0.50000000000000 0.81266341007982 0.81855923674285 101.070 > 19 36 Ru 0.71384723326402 0.00000000000000 0.00000000000000 101.070 > 20 37 Ru 0.50000000000000 0.31266341007982 0.68144076325715 101.070 > 21 38 Ru 0.50000000000000 0.18733658992018 0.18144076325715 101.070 > 22 39 Ru 0.78615276673598 0.00000000000000 0.50000000000000 101.070 > 23 40 Ru 0.50000000000000 0.68733658992018 0.31855923674285 101.070 > 24 41 Ru 0.78615276673598 0.50000000000000 0.00000000000000 101.070 > 17 42 Ru 0.71384723326402 0.50000000000000 0.50000000000000 101.070 > 18 43 Ru 0.00000000000000 0.31266341007982 0.81855923674285 101.070 > 19 44 Ru 0.21384723326402 0.50000000000000 0.00000000000000 101.070 > 20 45 Ru 0.00000000000000 0.81266341007982 0.68144076325715 101.070 > 21 46 Ru 0.00000000000000 0.68733658992018 0.18144076325715 101.070 > 22 47 Ru 0.28615276673598 0.50000000000000 0.50000000000000 101.070 > 23 48 Ru 0.00000000000000 0.18733658992018 0.31855923674285 101.070 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.070074869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 16.125248819999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.149670710000001 Atomic positions (fractional): *1 Si 0.37181066246303 0.36126033058675 0.05744700379042 28.085 > 1 2 Si 0.37181066246303 0.86126033058675 0.05744700379042 28.085 > 1 3 Si 0.37181066246303 0.11126033058675 0.44255299620958 28.085 > 2 4 Si 0.37181066246303 0.61126033058675 0.44255299620958 28.085 > 2 5 Si 0.37181066246303 0.13873966941325 0.94255299620958 28.085 > 3 6 Si 0.37181066246303 0.63873966941325 0.94255299620958 28.085 > 3 *7 Si 0.12668260258739 0.02585416856922 0.77602838503225 28.085 > 4 8 Si 0.12668260258739 0.52585416856922 0.77602838503225 28.085 > 4 9 Si 0.37331739741261 0.02585416856922 0.72397161496775 28.085 > 5 10 Si 0.37331739741261 0.52585416856922 0.72397161496775 28.085 > 5 11 Si 0.62668260258739 0.02585416856922 0.72397161496775 28.085 > 6 12 Si 0.62668260258739 0.52585416856922 0.72397161496775 28.085 > 6 13 Si 0.62818933753697 0.36126033058675 0.05744700379042 28.085 > 7 14 Si 0.62818933753697 0.86126033058675 0.05744700379042 28.085 > 7 15 Si 0.87331739741261 0.47414583143078 0.22397161496776 28.085 > 8 16 Si 0.87331739741261 0.97414583143078 0.22397161496776 28.085 > 8 17 Si 0.87331739741261 0.02585416856922 0.77602838503225 28.085 > 9 18 Si 0.87331739741261 0.52585416856922 0.77602838503225 28.085 > 9 19 Si 0.12668260258739 0.47414583143078 0.22397161496776 28.085 > 10 20 Si 0.12668260258739 0.97414583143078 0.22397161496776 28.085 > 10 21 Si 0.62818933753697 0.38873966941325 0.55744700379042 28.085 > 11 22 Si 0.62818933753697 0.88873966941325 0.55744700379042 28.085 > 11 23 Si 0.62668260258739 0.47414583143078 0.27602838503225 28.085 > 12 24 Si 0.62668260258739 0.97414583143078 0.27602838503225 28.085 > 12 25 Si 0.37331739741261 0.47414583143078 0.27602838503225 28.085 > 13 26 Si 0.37331739741261 0.97414583143078 0.27602838503225 28.085 > 13 27 Si 0.37181066246303 0.38873966941325 0.55744700379042 28.085 > 14 28 Si 0.37181066246303 0.88873966941325 0.55744700379042 28.085 > 14 29 Si 0.62818933753697 0.11126033058675 0.44255299620958 28.085 > 15 30 Si 0.62818933753697 0.61126033058675 0.44255299620958 28.085 > 15 31 Si 0.62818933753697 0.13873966941325 0.94255299620958 28.085 > 16 32 Si 0.62818933753697 0.63873966941325 0.94255299620958 28.085 > 16 33 Si 0.87181066246303 0.11126033058675 0.05744700379042 28.085 > 1 34 Si 0.87181066246303 0.61126033058675 0.05744700379042 28.085 > 1 35 Si 0.87181066246303 0.36126033058675 0.44255299620958 28.085 > 2 36 Si 0.87181066246303 0.86126033058675 0.44255299620958 28.085 > 2 37 Si 0.87181066246303 0.38873966941325 0.94255299620958 28.085 > 3 38 Si 0.87181066246303 0.88873966941325 0.94255299620958 28.085 > 3 39 Si 0.62668260258739 0.27585416856922 0.77602838503225 28.085 > 4 40 Si 0.62668260258739 0.77585416856922 0.77602838503225 28.085 > 4 41 Si 0.87331739741261 0.27585416856922 0.72397161496775 28.085 > 5 42 Si 0.87331739741261 0.77585416856922 0.72397161496775 28.085 > 5 43 Si 0.12668260258739 0.27585416856922 0.72397161496775 28.085 > 6 44 Si 0.12668260258739 0.77585416856922 0.72397161496775 28.085 > 6 45 Si 0.12818933753697 0.11126033058675 0.05744700379042 28.085 > 7 46 Si 0.12818933753697 0.61126033058675 0.05744700379042 28.085 > 7 47 Si 0.37331739741261 0.22414583143078 0.22397161496776 28.085 > 8 48 Si 0.37331739741261 0.72414583143078 0.22397161496776 28.085 > 8 49 Si 0.37331739741261 0.27585416856922 0.77602838503225 28.085 > 9 50 Si 0.37331739741261 0.77585416856922 0.77602838503225 28.085 > 9 51 Si 0.62668260258739 0.22414583143078 0.22397161496776 28.085 > 10 52 Si 0.62668260258739 0.72414583143078 0.22397161496776 28.085 > 10 53 Si 0.12818933753697 0.13873966941325 0.55744700379042 28.085 > 11 54 Si 0.12818933753697 0.63873966941325 0.55744700379042 28.085 > 11 55 Si 0.12668260258739 0.22414583143078 0.27602838503225 28.085 > 12 56 Si 0.12668260258739 0.72414583143078 0.27602838503225 28.085 > 12 57 Si 0.87331739741261 0.22414583143078 0.27602838503225 28.085 > 13 58 Si 0.87331739741261 0.72414583143078 0.27602838503225 28.085 > 13 59 Si 0.87181066246303 0.13873966941325 0.55744700379042 28.085 > 14 60 Si 0.87181066246303 0.63873966941325 0.55744700379042 28.085 > 14 61 Si 0.12818933753697 0.36126033058675 0.44255299620958 28.085 > 15 62 Si 0.12818933753697 0.86126033058675 0.44255299620958 28.085 > 15 63 Si 0.12818933753697 0.38873966941325 0.94255299620958 28.085 > 16 64 Si 0.12818933753697 0.88873966941325 0.94255299620958 28.085 > 16 *65 Ru 0.28615276673598 0.00000000000000 0.00000000000000 101.070 > 17 66 Ru 0.28615276673598 0.50000000000000 0.00000000000000 101.070 > 17 67 Ru 0.21384723326402 0.00000000000000 0.50000000000000 101.070 > 18 68 Ru 0.21384723326402 0.50000000000000 0.50000000000000 101.070 > 18 *69 Ru 0.50000000000000 0.40633170503991 0.81855923674285 101.070 > 19 70 Ru 0.50000000000000 0.90633170503991 0.81855923674285 101.070 > 19 71 Ru 0.71384723326402 0.00000000000000 0.00000000000000 101.070 > 20 72 Ru 0.71384723326402 0.50000000000000 0.00000000000000 101.070 > 20 73 Ru 0.50000000000000 0.15633170503991 0.68144076325715 101.070 > 21 74 Ru 0.50000000000000 0.65633170503991 0.68144076325715 101.070 > 21 75 Ru 0.50000000000000 0.09366829496009 0.18144076325715 101.070 > 22 76 Ru 0.50000000000000 0.59366829496009 0.18144076325715 101.070 > 22 77 Ru 0.78615276673598 0.00000000000000 0.50000000000000 101.070 > 23 78 Ru 0.78615276673598 0.50000000000000 0.50000000000000 101.070 > 23 79 Ru 0.50000000000000 0.34366829496009 0.31855923674285 101.070 > 24 80 Ru 0.50000000000000 0.84366829496009 0.31855923674285 101.070 > 24 81 Ru 0.78615276673598 0.25000000000000 0.00000000000000 101.070 > 17 82 Ru 0.78615276673598 0.75000000000000 0.00000000000000 101.070 > 17 83 Ru 0.71384723326402 0.25000000000000 0.50000000000000 101.070 > 18 84 Ru 0.71384723326402 0.75000000000000 0.50000000000000 101.070 > 18 85 Ru 0.00000000000000 0.15633170503991 0.81855923674285 101.070 > 19 86 Ru 0.00000000000000 0.65633170503991 0.81855923674285 101.070 > 19 87 Ru 0.21384723326402 0.25000000000000 0.00000000000000 101.070 > 20 88 Ru 0.21384723326402 0.75000000000000 0.00000000000000 101.070 > 20 89 Ru 0.00000000000000 0.40633170503991 0.68144076325715 101.070 > 21 90 Ru 0.00000000000000 0.90633170503991 0.68144076325715 101.070 > 21 91 Ru 0.00000000000000 0.34366829496009 0.18144076325715 101.070 > 22 92 Ru 0.00000000000000 0.84366829496009 0.18144076325715 101.070 > 22 93 Ru 0.28615276673598 0.25000000000000 0.50000000000000 101.070 > 23 94 Ru 0.28615276673598 0.75000000000000 0.50000000000000 101.070 > 23 95 Ru 0.00000000000000 0.09366829496009 0.31855923674285 101.070 > 24 96 Ru 0.00000000000000 0.59366829496009 0.31855923674285 101.070 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.5999901 0.0000000 0.0000000 0.0000000 19.9836137 0.0000000 0.0000000 0.0000000 19.5505328 -------------------------- Born effective charges -------------------------- 1 Si 3.2321407 -0.3312271 0.1811900 0.1280286 3.6420369 -0.1846710 -0.2272381 -0.2054604 3.5768295 2 Si 3.2321407 -0.3312271 -0.1811900 0.1280286 3.6420369 0.1846710 0.2272381 0.2054604 3.5768295 3 Si 3.2321407 0.3312271 -0.1811900 -0.1280286 3.6420369 -0.1846710 0.2272381 -0.2054604 3.5768295 4 Si 3.3084499 -0.1025285 -0.1459029 0.0246072 3.4080215 0.2647415 0.3181733 -0.1270486 3.5354490 5 Si 3.3084499 0.1025285 -0.1459029 -0.0246072 3.4080215 -0.2647415 0.3181733 0.1270486 3.5354490 6 Si 3.3084499 -0.1025285 0.1459029 0.0246072 3.4080215 -0.2647415 -0.3181733 0.1270486 3.5354490 7 Si 3.2321407 0.3312271 -0.1811900 -0.1280286 3.6420369 -0.1846710 0.2272381 -0.2054604 3.5768295 8 Si 3.3084499 -0.1025285 -0.1459029 0.0246072 3.4080215 0.2647415 0.3181733 -0.1270486 3.5354490 9 Si 3.3084499 0.1025285 0.1459029 -0.0246072 3.4080215 0.2647415 -0.3181733 -0.1270486 3.5354490 10 Si 3.3084499 0.1025285 0.1459029 -0.0246072 3.4080215 0.2647415 -0.3181733 -0.1270486 3.5354490 11 Si 3.2321407 -0.3312271 -0.1811900 0.1280286 3.6420369 0.1846710 0.2272381 0.2054604 3.5768295 12 Si 3.3084499 0.1025285 -0.1459029 -0.0246072 3.4080215 -0.2647415 0.3181733 0.1270486 3.5354490 13 Si 3.3084499 -0.1025285 0.1459029 0.0246072 3.4080215 -0.2647415 -0.3181733 0.1270486 3.5354490 14 Si 3.2321407 0.3312271 0.1811900 -0.1280286 3.6420369 0.1846710 -0.2272381 0.2054604 3.5768295 15 Si 3.2321407 0.3312271 0.1811900 -0.1280286 3.6420369 0.1846710 -0.2272381 0.2054604 3.5768295 16 Si 3.2321407 -0.3312271 0.1811900 0.1280286 3.6420369 -0.1846710 -0.2272381 -0.2054604 3.5768295 17 Ru -7.0784967 0.0000000 -0.0000000 0.0000000 -6.6295986 0.1418581 -0.0000000 0.4503025 -6.9483401 18 Ru -7.0784967 0.0000000 -0.0000000 0.0000000 -6.6295986 -0.1418581 -0.0000000 -0.4503025 -6.9483401 19 Ru -6.0026844 0.0000000 -0.0000000 0.0000000 -7.4705182 -0.5505933 -0.0000000 -0.5434127 -7.2762170 20 Ru -7.0784967 0.0000000 -0.0000000 0.0000000 -6.6295986 0.1418581 -0.0000000 0.4503025 -6.9483401 21 Ru -6.0026844 0.0000000 -0.0000000 0.0000000 -7.4705182 0.5505933 -0.0000000 0.5434127 -7.2762170 22 Ru -6.0026844 0.0000000 -0.0000000 0.0000000 -7.4705182 -0.5505933 -0.0000000 -0.5434127 -7.2762170 23 Ru -7.0784967 0.0000000 -0.0000000 0.0000000 -6.6295986 -0.1418581 -0.0000000 -0.4503025 -6.9483401 24 Ru -6.0026844 0.0000000 -0.0000000 0.0000000 -7.4705182 0.5505933 -0.0000000 0.5434127 -7.2762170 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 13320/13320 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1410 Number of blocks in projector: 1410 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: 300 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 186 Use standard eigh solver. Tree of FC basis block matrices: - (1410, 1382), data: False |-- (186, 182), data: True |-- (186, 182), data: True |-- (186, 182), data: True |-- (276, 272), data: True |-- (276, 272), data: True |-- (300, 292), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.626 Solver_block: 200 / 400 - Time: 1.610 Solver_block: 300 / 400 - Time: 1.611 Solver_block: 400 / 400 - Time: 1.604 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.483 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 13320/13320 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1410 Number of blocks in projector: 1410 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: 300 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 186 Use standard eigh solver. Tree of FC basis block matrices: - (1410, 1382), data: False |-- (186, 182), data: True |-- (186, 182), data: True |-- (186, 182), data: True |-- (276, 272), data: True |-- (276, 272), data: True |-- (300, 292), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 2026-01-08 18:45:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:45:11]------------------------- 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): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.035037435000000 -4.031312205000000 0.000000000000000 b 5.035037435000000 4.031312205000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.149670710000001 Atomic positions (fractional): 1 Si 0.64929000128952 0.09433132363654 0.05744700379042 28.085 2 Si 0.14929000128952 0.59433132363654 0.44255299620958 28.085 3 Si 0.09433132363654 0.64929000128952 0.94255299620958 28.085 4 Si 0.07497426544896 0.17839093972583 0.77602838503225 28.085 5 Si 0.32160906027418 0.42502573455104 0.72397161496775 28.085 6 Si 0.57497426544896 0.67839093972582 0.72397161496775 28.085 7 Si 0.90566867636346 0.35070999871048 0.05744700379042 28.085 8 Si 0.92502573455104 0.82160906027418 0.22397161496776 28.085 9 Si 0.82160906027418 0.92502573455104 0.77602838503225 28.085 10 Si 0.17839093972582 0.07497426544896 0.22397161496776 28.085 11 Si 0.85070999871048 0.40566867636346 0.55744700379042 28.085 12 Si 0.67839093972582 0.57497426544896 0.27602838503225 28.085 13 Si 0.42502573455104 0.32160906027418 0.27602838503225 28.085 14 Si 0.59433132363654 0.14929000128952 0.55744700379042 28.085 15 Si 0.40566867636346 0.85070999871048 0.44255299620958 28.085 16 Si 0.35070999871048 0.90566867636346 0.94255299620958 28.085 17 Ru 0.28615276673598 0.28615276673598 0.00000000000000 101.070 18 Ru 0.21384723326402 0.21384723326402 0.50000000000000 101.070 19 Ru 0.68733658992018 0.31266341007982 0.81855923674285 101.070 20 Ru 0.71384723326402 0.71384723326402 0.00000000000000 101.070 21 Ru 0.18733658992018 0.81266341007982 0.68144076325715 101.070 22 Ru 0.31266341007982 0.68733658992018 0.18144076325715 101.070 23 Ru 0.78615276673598 0.78615276673598 0.50000000000000 101.070 24 Ru 0.81266341007982 0.18733658992018 0.31855923674285 101.070 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.070074869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 16.125248819999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.149670710000001 Atomic positions (fractional): 1 Si 0.37181066246303 0.36126033058675 0.05744700379042 28.085 > 1 2 Si 0.37181066246303 0.86126033058675 0.05744700379042 28.085 > 1 3 Si 0.37181066246303 0.11126033058675 0.44255299620958 28.085 > 3 4 Si 0.37181066246303 0.61126033058675 0.44255299620958 28.085 > 3 5 Si 0.37181066246303 0.13873966941325 0.94255299620958 28.085 > 5 6 Si 0.37181066246303 0.63873966941325 0.94255299620958 28.085 > 5 7 Si 0.12668260258739 0.02585416856922 0.77602838503225 28.085 > 7 8 Si 0.12668260258739 0.52585416856922 0.77602838503225 28.085 > 7 9 Si 0.37331739741261 0.02585416856922 0.72397161496775 28.085 > 9 10 Si 0.37331739741261 0.52585416856922 0.72397161496775 28.085 > 9 11 Si 0.62668260258739 0.02585416856922 0.72397161496775 28.085 > 11 12 Si 0.62668260258739 0.52585416856922 0.72397161496775 28.085 > 11 13 Si 0.62818933753697 0.36126033058675 0.05744700379042 28.085 > 13 14 Si 0.62818933753697 0.86126033058675 0.05744700379042 28.085 > 13 15 Si 0.87331739741261 0.47414583143078 0.22397161496776 28.085 > 15 16 Si 0.87331739741261 0.97414583143078 0.22397161496776 28.085 > 15 17 Si 0.87331739741261 0.02585416856922 0.77602838503225 28.085 > 17 18 Si 0.87331739741261 0.52585416856922 0.77602838503225 28.085 > 17 19 Si 0.12668260258739 0.47414583143078 0.22397161496776 28.085 > 19 20 Si 0.12668260258739 0.97414583143078 0.22397161496776 28.085 > 19 21 Si 0.62818933753697 0.38873966941325 0.55744700379042 28.085 > 21 22 Si 0.62818933753697 0.88873966941325 0.55744700379042 28.085 > 21 23 Si 0.62668260258739 0.47414583143078 0.27602838503225 28.085 > 23 24 Si 0.62668260258739 0.97414583143078 0.27602838503225 28.085 > 23 25 Si 0.37331739741261 0.47414583143078 0.27602838503225 28.085 > 25 26 Si 0.37331739741261 0.97414583143078 0.27602838503225 28.085 > 25 27 Si 0.37181066246303 0.38873966941325 0.55744700379042 28.085 > 27 28 Si 0.37181066246303 0.88873966941325 0.55744700379042 28.085 > 27 29 Si 0.62818933753697 0.11126033058675 0.44255299620958 28.085 > 29 30 Si 0.62818933753697 0.61126033058675 0.44255299620958 28.085 > 29 31 Si 0.62818933753697 0.13873966941325 0.94255299620958 28.085 > 31 32 Si 0.62818933753697 0.63873966941325 0.94255299620958 28.085 > 31 33 Si 0.87181066246303 0.11126033058675 0.05744700379042 28.085 > 1 34 Si 0.87181066246303 0.61126033058675 0.05744700379042 28.085 > 1 35 Si 0.87181066246303 0.36126033058675 0.44255299620958 28.085 > 3 36 Si 0.87181066246303 0.86126033058675 0.44255299620958 28.085 > 3 37 Si 0.87181066246303 0.38873966941325 0.94255299620958 28.085 > 5 38 Si 0.87181066246303 0.88873966941325 0.94255299620958 28.085 > 5 39 Si 0.62668260258739 0.27585416856922 0.77602838503225 28.085 > 7 40 Si 0.62668260258739 0.77585416856922 0.77602838503225 28.085 > 7 41 Si 0.87331739741261 0.27585416856922 0.72397161496775 28.085 > 9 42 Si 0.87331739741261 0.77585416856922 0.72397161496775 28.085 > 9 43 Si 0.12668260258739 0.27585416856922 0.72397161496775 28.085 > 11 44 Si 0.12668260258739 0.77585416856922 0.72397161496775 28.085 > 11 45 Si 0.12818933753697 0.11126033058675 0.05744700379042 28.085 > 13 46 Si 0.12818933753697 0.61126033058675 0.05744700379042 28.085 > 13 47 Si 0.37331739741261 0.22414583143078 0.22397161496776 28.085 > 15 48 Si 0.37331739741261 0.72414583143078 0.22397161496776 28.085 > 15 49 Si 0.37331739741261 0.27585416856922 0.77602838503225 28.085 > 17 50 Si 0.37331739741261 0.77585416856922 0.77602838503225 28.085 > 17 51 Si 0.62668260258739 0.22414583143078 0.22397161496776 28.085 > 19 52 Si 0.62668260258739 0.72414583143078 0.22397161496776 28.085 > 19 53 Si 0.12818933753697 0.13873966941325 0.55744700379042 28.085 > 21 54 Si 0.12818933753697 0.63873966941325 0.55744700379042 28.085 > 21 55 Si 0.12668260258739 0.22414583143078 0.27602838503225 28.085 > 23 56 Si 0.12668260258739 0.72414583143078 0.27602838503225 28.085 > 23 57 Si 0.87331739741261 0.22414583143078 0.27602838503225 28.085 > 25 58 Si 0.87331739741261 0.72414583143078 0.27602838503225 28.085 > 25 59 Si 0.87181066246303 0.13873966941325 0.55744700379042 28.085 > 27 60 Si 0.87181066246303 0.63873966941325 0.55744700379042 28.085 > 27 61 Si 0.12818933753697 0.36126033058675 0.44255299620958 28.085 > 29 62 Si 0.12818933753697 0.86126033058675 0.44255299620958 28.085 > 29 63 Si 0.12818933753697 0.38873966941325 0.94255299620958 28.085 > 31 64 Si 0.12818933753697 0.88873966941325 0.94255299620958 28.085 > 31 65 Ru 0.28615276673598 0.00000000000000 0.00000000000000 101.070 > 65 66 Ru 0.28615276673598 0.50000000000000 0.00000000000000 101.070 > 65 67 Ru 0.21384723326402 0.00000000000000 0.50000000000000 101.070 > 67 68 Ru 0.21384723326402 0.50000000000000 0.50000000000000 101.070 > 67 69 Ru 0.50000000000000 0.40633170503991 0.81855923674285 101.070 > 69 70 Ru 0.50000000000000 0.90633170503991 0.81855923674285 101.070 > 69 71 Ru 0.71384723326402 0.00000000000000 0.00000000000000 101.070 > 71 72 Ru 0.71384723326402 0.50000000000000 0.00000000000000 101.070 > 71 73 Ru 0.50000000000000 0.15633170503991 0.68144076325715 101.070 > 73 74 Ru 0.50000000000000 0.65633170503991 0.68144076325715 101.070 > 73 75 Ru 0.50000000000000 0.09366829496009 0.18144076325715 101.070 > 75 76 Ru 0.50000000000000 0.59366829496009 0.18144076325715 101.070 > 75 77 Ru 0.78615276673598 0.00000000000000 0.50000000000000 101.070 > 77 78 Ru 0.78615276673598 0.50000000000000 0.50000000000000 101.070 > 77 79 Ru 0.50000000000000 0.34366829496009 0.31855923674285 101.070 > 79 80 Ru 0.50000000000000 0.84366829496009 0.31855923674285 101.070 > 79 81 Ru 0.78615276673598 0.25000000000000 0.00000000000000 101.070 > 65 82 Ru 0.78615276673598 0.75000000000000 0.00000000000000 101.070 > 65 83 Ru 0.71384723326402 0.25000000000000 0.50000000000000 101.070 > 67 84 Ru 0.71384723326402 0.75000000000000 0.50000000000000 101.070 > 67 85 Ru 0.00000000000000 0.15633170503991 0.81855923674285 101.070 > 69 86 Ru 0.00000000000000 0.65633170503991 0.81855923674285 101.070 > 69 87 Ru 0.21384723326402 0.25000000000000 0.00000000000000 101.070 > 71 88 Ru 0.21384723326402 0.75000000000000 0.00000000000000 101.070 > 71 89 Ru 0.00000000000000 0.40633170503991 0.68144076325715 101.070 > 73 90 Ru 0.00000000000000 0.90633170503991 0.68144076325715 101.070 > 73 91 Ru 0.00000000000000 0.34366829496009 0.18144076325715 101.070 > 75 92 Ru 0.00000000000000 0.84366829496009 0.18144076325715 101.070 > 75 93 Ru 0.28615276673598 0.25000000000000 0.50000000000000 101.070 > 77 94 Ru 0.28615276673598 0.75000000000000 0.50000000000000 101.070 > 77 95 Ru 0.00000000000000 0.09366829496009 0.31855923674285 101.070 > 79 96 Ru 0.00000000000000 0.59366829496009 0.31855923674285 101.070 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.5999901 0.0000000 0.0000000 0.0000000 19.9836137 0.0000000 0.0000000 0.0000000 19.5505328 -------------------------- Born effective charges -------------------------- 1 Si 3.2321407 -0.3312271 0.1811900 0.1280286 3.6420369 -0.1846710 -0.2272381 -0.2054604 3.5768295 2 Si 3.2321407 -0.3312271 -0.1811900 0.1280286 3.6420369 0.1846710 0.2272381 0.2054604 3.5768295 3 Si 3.2321407 0.3312271 -0.1811900 -0.1280286 3.6420369 -0.1846710 0.2272381 -0.2054604 3.5768295 4 Si 3.3084499 -0.1025285 -0.1459029 0.0246072 3.4080215 0.2647415 0.3181733 -0.1270486 3.5354490 5 Si 3.3084499 0.1025285 -0.1459029 -0.0246072 3.4080215 -0.2647415 0.3181733 0.1270486 3.5354490 6 Si 3.3084499 -0.1025285 0.1459029 0.0246072 3.4080215 -0.2647415 -0.3181733 0.1270486 3.5354490 7 Si 3.2321407 0.3312271 -0.1811900 -0.1280286 3.6420369 -0.1846710 0.2272381 -0.2054604 3.5768295 8 Si 3.3084499 -0.1025285 -0.1459029 0.0246072 3.4080215 0.2647415 0.3181733 -0.1270486 3.5354490 9 Si 3.3084499 0.1025285 0.1459029 -0.0246072 3.4080215 0.2647415 -0.3181733 -0.1270486 3.5354490 10 Si 3.3084499 0.1025285 0.1459029 -0.0246072 3.4080215 0.2647415 -0.3181733 -0.1270486 3.5354490 11 Si 3.2321407 -0.3312271 -0.1811900 0.1280286 3.6420369 0.1846710 0.2272381 0.2054604 3.5768295 12 Si 3.3084499 0.1025285 -0.1459029 -0.0246072 3.4080215 -0.2647415 0.3181733 0.1270486 3.5354490 13 Si 3.3084499 -0.1025285 0.1459029 0.0246072 3.4080215 -0.2647415 -0.3181733 0.1270486 3.5354490 14 Si 3.2321407 0.3312271 0.1811900 -0.1280286 3.6420369 0.1846710 -0.2272381 0.2054604 3.5768295 15 Si 3.2321407 0.3312271 0.1811900 -0.1280286 3.6420369 0.1846710 -0.2272381 0.2054604 3.5768295 16 Si 3.2321407 -0.3312271 0.1811900 0.1280286 3.6420369 -0.1846710 -0.2272381 -0.2054604 3.5768295 17 Ru -7.0784967 0.0000000 -0.0000000 0.0000000 -6.6295986 0.1418581 -0.0000000 0.4503025 -6.9483401 18 Ru -7.0784967 0.0000000 -0.0000000 0.0000000 -6.6295986 -0.1418581 -0.0000000 -0.4503025 -6.9483401 19 Ru -6.0026844 0.0000000 -0.0000000 0.0000000 -7.4705182 -0.5505933 -0.0000000 -0.5434127 -7.2762170 20 Ru -7.0784967 0.0000000 -0.0000000 0.0000000 -6.6295986 0.1418581 -0.0000000 0.4503025 -6.9483401 21 Ru -6.0026844 0.0000000 -0.0000000 0.0000000 -7.4705182 0.5505933 -0.0000000 0.5434127 -7.2762170 22 Ru -6.0026844 0.0000000 -0.0000000 0.0000000 -7.4705182 -0.5505933 -0.0000000 -0.5434127 -7.2762170 23 Ru -7.0784967 0.0000000 -0.0000000 0.0000000 -6.6295986 -0.1418581 -0.0000000 -0.4503025 -6.9483401 24 Ru -6.0026844 0.0000000 -0.0000000 0.0000000 -7.4705182 0.5505933 -0.0000000 0.5434127 -7.2762170 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 2026-01-08 18:45:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:45:26]------------------------- 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): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.035037435000000 -4.031312205000000 0.000000000000000 b 5.035037435000000 4.031312205000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.149670710000001 Atomic positions (fractional): 1 Si 0.64929000128952 0.09433132363654 0.05744700379042 28.085 2 Si 0.14929000128952 0.59433132363654 0.44255299620958 28.085 3 Si 0.09433132363654 0.64929000128952 0.94255299620958 28.085 4 Si 0.07497426544896 0.17839093972583 0.77602838503225 28.085 5 Si 0.32160906027418 0.42502573455104 0.72397161496775 28.085 6 Si 0.57497426544896 0.67839093972582 0.72397161496775 28.085 7 Si 0.90566867636346 0.35070999871048 0.05744700379042 28.085 8 Si 0.92502573455104 0.82160906027418 0.22397161496776 28.085 9 Si 0.82160906027418 0.92502573455104 0.77602838503225 28.085 10 Si 0.17839093972582 0.07497426544896 0.22397161496776 28.085 11 Si 0.85070999871048 0.40566867636346 0.55744700379042 28.085 12 Si 0.67839093972582 0.57497426544896 0.27602838503225 28.085 13 Si 0.42502573455104 0.32160906027418 0.27602838503225 28.085 14 Si 0.59433132363654 0.14929000128952 0.55744700379042 28.085 15 Si 0.40566867636346 0.85070999871048 0.44255299620958 28.085 16 Si 0.35070999871048 0.90566867636346 0.94255299620958 28.085 17 Ru 0.28615276673598 0.28615276673598 0.00000000000000 101.070 18 Ru 0.21384723326402 0.21384723326402 0.50000000000000 101.070 19 Ru 0.68733658992018 0.31266341007982 0.81855923674285 101.070 20 Ru 0.71384723326402 0.71384723326402 0.00000000000000 101.070 21 Ru 0.18733658992018 0.81266341007982 0.68144076325715 101.070 22 Ru 0.31266341007982 0.68733658992018 0.18144076325715 101.070 23 Ru 0.78615276673598 0.78615276673598 0.50000000000000 101.070 24 Ru 0.81266341007982 0.18733658992018 0.31855923674285 101.070 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.070074869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 16.125248819999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.149670710000001 Atomic positions (fractional): 1 Si 0.37181066246303 0.36126033058675 0.05744700379042 28.085 > 1 2 Si 0.37181066246303 0.86126033058675 0.05744700379042 28.085 > 1 3 Si 0.37181066246303 0.11126033058675 0.44255299620958 28.085 > 3 4 Si 0.37181066246303 0.61126033058675 0.44255299620958 28.085 > 3 5 Si 0.37181066246303 0.13873966941325 0.94255299620958 28.085 > 5 6 Si 0.37181066246303 0.63873966941325 0.94255299620958 28.085 > 5 7 Si 0.12668260258739 0.02585416856922 0.77602838503225 28.085 > 7 8 Si 0.12668260258739 0.52585416856922 0.77602838503225 28.085 > 7 9 Si 0.37331739741261 0.02585416856922 0.72397161496775 28.085 > 9 10 Si 0.37331739741261 0.52585416856922 0.72397161496775 28.085 > 9 11 Si 0.62668260258739 0.02585416856922 0.72397161496775 28.085 > 11 12 Si 0.62668260258739 0.52585416856922 0.72397161496775 28.085 > 11 13 Si 0.62818933753697 0.36126033058675 0.05744700379042 28.085 > 13 14 Si 0.62818933753697 0.86126033058675 0.05744700379042 28.085 > 13 15 Si 0.87331739741261 0.47414583143078 0.22397161496776 28.085 > 15 16 Si 0.87331739741261 0.97414583143078 0.22397161496776 28.085 > 15 17 Si 0.87331739741261 0.02585416856922 0.77602838503225 28.085 > 17 18 Si 0.87331739741261 0.52585416856922 0.77602838503225 28.085 > 17 19 Si 0.12668260258739 0.47414583143078 0.22397161496776 28.085 > 19 20 Si 0.12668260258739 0.97414583143078 0.22397161496776 28.085 > 19 21 Si 0.62818933753697 0.38873966941325 0.55744700379042 28.085 > 21 22 Si 0.62818933753697 0.88873966941325 0.55744700379042 28.085 > 21 23 Si 0.62668260258739 0.47414583143078 0.27602838503225 28.085 > 23 24 Si 0.62668260258739 0.97414583143078 0.27602838503225 28.085 > 23 25 Si 0.37331739741261 0.47414583143078 0.27602838503225 28.085 > 25 26 Si 0.37331739741261 0.97414583143078 0.27602838503225 28.085 > 25 27 Si 0.37181066246303 0.38873966941325 0.55744700379042 28.085 > 27 28 Si 0.37181066246303 0.88873966941325 0.55744700379042 28.085 > 27 29 Si 0.62818933753697 0.11126033058675 0.44255299620958 28.085 > 29 30 Si 0.62818933753697 0.61126033058675 0.44255299620958 28.085 > 29 31 Si 0.62818933753697 0.13873966941325 0.94255299620958 28.085 > 31 32 Si 0.62818933753697 0.63873966941325 0.94255299620958 28.085 > 31 33 Si 0.87181066246303 0.11126033058675 0.05744700379042 28.085 > 1 34 Si 0.87181066246303 0.61126033058675 0.05744700379042 28.085 > 1 35 Si 0.87181066246303 0.36126033058675 0.44255299620958 28.085 > 3 36 Si 0.87181066246303 0.86126033058675 0.44255299620958 28.085 > 3 37 Si 0.87181066246303 0.38873966941325 0.94255299620958 28.085 > 5 38 Si 0.87181066246303 0.88873966941325 0.94255299620958 28.085 > 5 39 Si 0.62668260258739 0.27585416856922 0.77602838503225 28.085 > 7 40 Si 0.62668260258739 0.77585416856922 0.77602838503225 28.085 > 7 41 Si 0.87331739741261 0.27585416856922 0.72397161496775 28.085 > 9 42 Si 0.87331739741261 0.77585416856922 0.72397161496775 28.085 > 9 43 Si 0.12668260258739 0.27585416856922 0.72397161496775 28.085 > 11 44 Si 0.12668260258739 0.77585416856922 0.72397161496775 28.085 > 11 45 Si 0.12818933753697 0.11126033058675 0.05744700379042 28.085 > 13 46 Si 0.12818933753697 0.61126033058675 0.05744700379042 28.085 > 13 47 Si 0.37331739741261 0.22414583143078 0.22397161496776 28.085 > 15 48 Si 0.37331739741261 0.72414583143078 0.22397161496776 28.085 > 15 49 Si 0.37331739741261 0.27585416856922 0.77602838503225 28.085 > 17 50 Si 0.37331739741261 0.77585416856922 0.77602838503225 28.085 > 17 51 Si 0.62668260258739 0.22414583143078 0.22397161496776 28.085 > 19 52 Si 0.62668260258739 0.72414583143078 0.22397161496776 28.085 > 19 53 Si 0.12818933753697 0.13873966941325 0.55744700379042 28.085 > 21 54 Si 0.12818933753697 0.63873966941325 0.55744700379042 28.085 > 21 55 Si 0.12668260258739 0.22414583143078 0.27602838503225 28.085 > 23 56 Si 0.12668260258739 0.72414583143078 0.27602838503225 28.085 > 23 57 Si 0.87331739741261 0.22414583143078 0.27602838503225 28.085 > 25 58 Si 0.87331739741261 0.72414583143078 0.27602838503225 28.085 > 25 59 Si 0.87181066246303 0.13873966941325 0.55744700379042 28.085 > 27 60 Si 0.87181066246303 0.63873966941325 0.55744700379042 28.085 > 27 61 Si 0.12818933753697 0.36126033058675 0.44255299620958 28.085 > 29 62 Si 0.12818933753697 0.86126033058675 0.44255299620958 28.085 > 29 63 Si 0.12818933753697 0.38873966941325 0.94255299620958 28.085 > 31 64 Si 0.12818933753697 0.88873966941325 0.94255299620958 28.085 > 31 65 Ru 0.28615276673598 0.00000000000000 0.00000000000000 101.070 > 65 66 Ru 0.28615276673598 0.50000000000000 0.00000000000000 101.070 > 65 67 Ru 0.21384723326402 0.00000000000000 0.50000000000000 101.070 > 67 68 Ru 0.21384723326402 0.50000000000000 0.50000000000000 101.070 > 67 69 Ru 0.50000000000000 0.40633170503991 0.81855923674285 101.070 > 69 70 Ru 0.50000000000000 0.90633170503991 0.81855923674285 101.070 > 69 71 Ru 0.71384723326402 0.00000000000000 0.00000000000000 101.070 > 71 72 Ru 0.71384723326402 0.50000000000000 0.00000000000000 101.070 > 71 73 Ru 0.50000000000000 0.15633170503991 0.68144076325715 101.070 > 73 74 Ru 0.50000000000000 0.65633170503991 0.68144076325715 101.070 > 73 75 Ru 0.50000000000000 0.09366829496009 0.18144076325715 101.070 > 75 76 Ru 0.50000000000000 0.59366829496009 0.18144076325715 101.070 > 75 77 Ru 0.78615276673598 0.00000000000000 0.50000000000000 101.070 > 77 78 Ru 0.78615276673598 0.50000000000000 0.50000000000000 101.070 > 77 79 Ru 0.50000000000000 0.34366829496009 0.31855923674285 101.070 > 79 80 Ru 0.50000000000000 0.84366829496009 0.31855923674285 101.070 > 79 81 Ru 0.78615276673598 0.25000000000000 0.00000000000000 101.070 > 65 82 Ru 0.78615276673598 0.75000000000000 0.00000000000000 101.070 > 65 83 Ru 0.71384723326402 0.25000000000000 0.50000000000000 101.070 > 67 84 Ru 0.71384723326402 0.75000000000000 0.50000000000000 101.070 > 67 85 Ru 0.00000000000000 0.15633170503991 0.81855923674285 101.070 > 69 86 Ru 0.00000000000000 0.65633170503991 0.81855923674285 101.070 > 69 87 Ru 0.21384723326402 0.25000000000000 0.00000000000000 101.070 > 71 88 Ru 0.21384723326402 0.75000000000000 0.00000000000000 101.070 > 71 89 Ru 0.00000000000000 0.40633170503991 0.68144076325715 101.070 > 73 90 Ru 0.00000000000000 0.90633170503991 0.68144076325715 101.070 > 73 91 Ru 0.00000000000000 0.34366829496009 0.18144076325715 101.070 > 75 92 Ru 0.00000000000000 0.84366829496009 0.18144076325715 101.070 > 75 93 Ru 0.28615276673598 0.25000000000000 0.50000000000000 101.070 > 77 94 Ru 0.28615276673598 0.75000000000000 0.50000000000000 101.070 > 77 95 Ru 0.00000000000000 0.09366829496009 0.31855923674285 101.070 > 79 96 Ru 0.00000000000000 0.59366829496009 0.31855923674285 101.070 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 18.5999901 0.0000000 0.0000000 0.0000000 19.9836137 0.0000000 0.0000000 0.0000000 19.5505328 -------------------------- Born effective charges -------------------------- 1 Si 3.2321407 -0.3312271 0.1811900 0.1280286 3.6420369 -0.1846710 -0.2272381 -0.2054604 3.5768295 2 Si 3.2321407 -0.3312271 -0.1811900 0.1280286 3.6420369 0.1846710 0.2272381 0.2054604 3.5768295 3 Si 3.2321407 0.3312271 -0.1811900 -0.1280286 3.6420369 -0.1846710 0.2272381 -0.2054604 3.5768295 4 Si 3.3084499 -0.1025285 -0.1459029 0.0246072 3.4080215 0.2647415 0.3181733 -0.1270486 3.5354490 5 Si 3.3084499 0.1025285 -0.1459029 -0.0246072 3.4080215 -0.2647415 0.3181733 0.1270486 3.5354490 6 Si 3.3084499 -0.1025285 0.1459029 0.0246072 3.4080215 -0.2647415 -0.3181733 0.1270486 3.5354490 7 Si 3.2321407 0.3312271 -0.1811900 -0.1280286 3.6420369 -0.1846710 0.2272381 -0.2054604 3.5768295 8 Si 3.3084499 -0.1025285 -0.1459029 0.0246072 3.4080215 0.2647415 0.3181733 -0.1270486 3.5354490 9 Si 3.3084499 0.1025285 0.1459029 -0.0246072 3.4080215 0.2647415 -0.3181733 -0.1270486 3.5354490 10 Si 3.3084499 0.1025285 0.1459029 -0.0246072 3.4080215 0.2647415 -0.3181733 -0.1270486 3.5354490 11 Si 3.2321407 -0.3312271 -0.1811900 0.1280286 3.6420369 0.1846710 0.2272381 0.2054604 3.5768295 12 Si 3.3084499 0.1025285 -0.1459029 -0.0246072 3.4080215 -0.2647415 0.3181733 0.1270486 3.5354490 13 Si 3.3084499 -0.1025285 0.1459029 0.0246072 3.4080215 -0.2647415 -0.3181733 0.1270486 3.5354490 14 Si 3.2321407 0.3312271 0.1811900 -0.1280286 3.6420369 0.1846710 -0.2272381 0.2054604 3.5768295 15 Si 3.2321407 0.3312271 0.1811900 -0.1280286 3.6420369 0.1846710 -0.2272381 0.2054604 3.5768295 16 Si 3.2321407 -0.3312271 0.1811900 0.1280286 3.6420369 -0.1846710 -0.2272381 -0.2054604 3.5768295 17 Ru -7.0784967 0.0000000 -0.0000000 0.0000000 -6.6295986 0.1418581 -0.0000000 0.4503025 -6.9483401 18 Ru -7.0784967 0.0000000 -0.0000000 0.0000000 -6.6295986 -0.1418581 -0.0000000 -0.4503025 -6.9483401 19 Ru -6.0026844 0.0000000 -0.0000000 0.0000000 -7.4705182 -0.5505933 -0.0000000 -0.5434127 -7.2762170 20 Ru -7.0784967 0.0000000 -0.0000000 0.0000000 -6.6295986 0.1418581 -0.0000000 0.4503025 -6.9483401 21 Ru -6.0026844 0.0000000 -0.0000000 0.0000000 -7.4705182 0.5505933 -0.0000000 0.5434127 -7.2762170 22 Ru -6.0026844 0.0000000 -0.0000000 0.0000000 -7.4705182 -0.5505933 -0.0000000 -0.5434127 -7.2762170 23 Ru -7.0784967 0.0000000 -0.0000000 0.0000000 -6.6295986 -0.1418581 -0.0000000 -0.4503025 -6.9483401 24 Ru -6.0026844 0.0000000 -0.0000000 0.0000000 -7.4705182 0.5505933 -0.0000000 0.5434127 -7.2762170 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 8 8 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: 0.60, Number of G-points: 295, Lambda: 0.28 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 84 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 4.171 ( 0.000 0.000 0.000) 0.000 4.524 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 6.132 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.560 ( 0.000 0.000 0.000) 0.000 6.669 ( 0.000 0.000 0.000) 0.000 6.846 ( 0.000 0.000 0.000) 0.000 6.880 ( 0.000 0.000 0.000) 0.000 7.032 ( 0.000 0.000 0.000) 0.000 7.090 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 7.198 ( 0.000 0.000 0.000) 0.000 7.214 ( 0.000 0.000 0.000) 0.000 7.413 ( 0.000 0.000 0.000) 0.000 7.477 ( 0.000 0.000 0.000) 0.000 7.509 ( 0.000 0.000 0.000) 0.000 7.627 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 7.660 ( 0.000 0.000 0.000) 0.000 7.844 ( 0.000 0.000 0.000) 0.000 7.991 ( 0.000 0.000 0.000) 0.000 8.154 ( 0.000 0.000 0.000) 0.000 8.424 ( 0.000 0.000 0.000) 0.000 8.488 ( 0.000 0.000 0.000) 0.000 8.662 ( 0.000 0.000 0.000) 0.000 8.890 ( 0.000 0.000 0.000) 0.000 9.140 ( 0.000 0.000 0.000) 0.000 9.536 ( 0.000 0.000 0.000) 0.000 9.737 ( 0.000 0.000 0.000) 0.000 10.033 ( 0.000 0.000 0.000) 0.000 10.058 ( 0.000 0.000 0.000) 0.000 10.120 ( 0.000 0.000 0.000) 0.000 10.169 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.394 ( 0.000 0.000 0.000) 0.000 10.494 ( 0.000 0.000 0.000) 0.000 10.729 ( 0.000 0.000 0.000) 0.000 10.787 ( 0.000 0.000 0.000) 0.000 10.820 ( 0.000 0.000 0.000) 0.000 10.879 ( 0.000 0.000 0.000) 0.000 10.983 ( 0.000 0.000 0.000) 0.000 11.008 ( 0.000 0.000 0.000) 0.000 11.221 ( 0.000 0.000 0.000) 0.000 11.420 ( 0.000 0.000 0.000) 0.000 11.466 ( 0.000 0.000 0.000) 0.000 11.650 ( 0.000 0.000 0.000) 0.000 11.778 ( 0.000 0.000 0.000) 0.000 11.817 ( 0.000 0.000 0.000) 0.000 11.945 ( 0.000 0.000 0.000) 0.000 12.003 ( 0.000 0.000 0.000) 0.000 12.023 ( 0.000 0.000 0.000) 0.000 12.244 ( 0.000 0.000 0.000) 0.000 12.454 ( 0.000 0.000 0.000) 0.000 12.667 ( 0.000 0.000 0.000) 0.000 12.752 ( 0.000 0.000 0.000) 0.000 12.806 ( 0.000 0.000 0.000) 0.000 13.118 ( 0.000 0.000 0.000) 0.000 13.270 ( 0.000 0.000 0.000) 0.000 13.787 ( 0.000 0.000 0.000) 0.000 13.883 ( 0.000 0.000 0.000) 0.000 13.937 ( 0.000 0.000 0.000) 0.000 14.363 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 22.338 -35.101 0.000) 41.606 0.854 ( 27.972 -32.277 0.000) 42.711 1.524 ( 43.244 -61.995 0.000) 75.587 4.181 ( 1.297 2.628 0.000) 2.931 4.542 ( 0.616 -3.254 0.000) 3.312 4.601 ( -5.294 3.451 0.000) 6.319 4.732 ( 4.331 -4.304 0.000) 6.106 4.835 ( 1.040 -2.744 0.000) 2.935 4.941 ( -2.238 -0.444 0.000) 2.282 5.000 ( 1.844 -1.693 0.000) 2.503 5.144 ( 2.041 -1.559 0.000) 2.568 5.816 ( 0.421 6.877 0.000) 6.890 5.949 ( -1.882 12.076 0.000) 12.221 6.244 ( -6.770 -9.579 0.000) 11.730 6.463 ( -1.195 10.780 0.000) 10.846 6.619 ( -10.065 0.638 0.000) 10.085 6.697 ( -4.656 12.572 0.000) 13.406 6.872 ( -5.959 -6.628 0.000) 8.913 7.085 ( 3.188 -2.998 0.000) 4.376 7.157 ( 1.561 2.582 0.000) 3.017 7.159 ( 9.747 -0.976 0.000) 9.796 7.218 ( 1.417 0.112 0.000) 1.421 7.263 ( 8.281 5.857 0.000) 10.143 7.319 ( 4.491 8.690 0.000) 9.782 7.483 ( -2.438 -0.467 0.000) 2.482 7.629 ( -2.916 -7.737 0.000) 8.268 7.658 ( 1.287 0.014 0.000) 1.287 7.679 ( 1.179 -8.087 0.000) 8.173 7.741 ( 4.305 -6.099 0.000) 7.465 7.879 ( 2.402 -2.174 0.000) 3.239 8.031 ( 7.677 1.177 0.000) 7.767 8.170 ( 5.842 2.685 0.000) 6.430 8.459 ( -0.401 2.513 0.000) 2.545 8.606 ( 18.894 14.201 0.000) 23.636 8.643 ( -3.167 0.133 0.000) 3.170 9.087 ( -12.708 -4.182 0.000) 13.378 9.402 ( -18.020 1.356 0.000) 18.071 9.647 ( -5.071 3.924 0.000) 6.412 9.938 ( -10.576 4.809 0.000) 11.618 10.031 ( 11.156 17.124 0.000) 20.437 10.096 ( -7.803 -1.551 0.000) 7.956 10.101 ( 5.396 3.857 0.000) 6.633 10.194 ( -13.266 -1.581 0.000) 13.359 10.339 ( 4.488 0.807 0.000) 4.560 10.507 ( -16.619 5.809 0.000) 17.605 10.587 ( 14.945 -1.484 0.000) 15.019 10.636 ( -19.705 -2.671 0.000) 19.885 10.808 ( -1.919 -3.841 0.000) 4.294 10.933 ( 10.428 5.991 0.000) 12.026 10.986 ( 2.068 1.292 0.000) 2.439 11.112 ( 7.055 7.786 0.000) 10.507 11.116 ( 4.325 -2.072 0.000) 4.796 11.342 ( 3.393 -0.551 0.000) 3.437 11.421 ( 1.195 0.713 0.000) 1.392 11.567 ( 4.153 3.449 0.000) 5.398 11.722 ( 1.182 -8.054 0.000) 8.140 11.809 ( 10.128 -0.317 0.000) 10.133 11.854 ( 8.364 1.748 0.000) 8.544 11.945 ( 1.929 1.252 0.000) 2.299 12.018 ( 6.888 9.327 0.000) 11.595 12.036 ( 1.373 -4.203 0.000) 4.422 12.186 ( 2.748 0.490 0.000) 2.792 12.579 ( -2.036 -4.750 0.000) 5.168 12.828 ( -0.701 -2.731 0.000) 2.819 12.917 ( 1.799 -14.379 0.000) 14.491 13.011 ( -7.961 5.245 0.000) 9.533 13.304 ( 6.230 0.070 0.000) 6.230 13.442 ( -26.415 -23.177 0.000) 35.142 13.776 ( -1.448 -0.142 0.000) 1.455 13.881 ( 0.459 2.576 0.000) 2.617 14.019 ( -11.126 -5.420 0.000) 12.376 14.332 ( -2.887 1.633 0.000) 3.316 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 21.510 -33.733 0.000) 40.008 1.688 ( 26.845 -31.245 0.000) 41.194 2.963 ( 38.758 -56.192 0.000) 68.262 4.031 ( -7.036 12.555 0.000) 14.392 4.366 ( -10.922 12.381 0.000) 16.510 4.669 ( 0.854 -10.039 0.000) 10.075 4.856 ( -2.602 -3.819 0.000) 4.621 4.897 ( 3.085 -2.434 0.000) 3.930 4.985 ( 5.138 -8.729 0.000) 10.129 5.154 ( 11.752 -8.353 0.000) 14.418 5.253 ( 5.972 -5.615 0.000) 8.197 5.693 ( 0.235 8.790 0.000) 8.794 5.740 ( -0.149 12.235 0.000) 12.236 6.230 ( -3.175 14.909 0.000) 15.243 6.268 ( -14.042 -9.799 0.000) 17.123 6.393 ( -4.663 18.028 0.000) 18.621 6.403 ( -17.176 3.627 0.000) 17.555 6.935 ( -4.055 -2.957 0.000) 5.019 7.058 ( -0.310 11.613 0.000) 11.617 7.140 ( 1.135 5.705 0.000) 5.816 7.194 ( 4.028 -1.061 0.000) 4.166 7.256 ( 4.018 3.858 0.000) 5.570 7.335 ( 2.463 -2.947 0.000) 3.841 7.364 ( 18.524 -2.033 0.000) 18.635 7.422 ( -1.205 1.952 0.000) 2.294 7.701 ( 3.232 -0.748 0.000) 3.318 7.714 ( -3.082 -7.593 0.000) 8.195 7.818 ( 1.953 -6.847 0.000) 7.121 7.922 ( 5.182 -8.516 0.000) 9.968 7.956 ( 4.353 -1.476 0.000) 4.597 8.136 ( 14.428 2.955 0.000) 14.727 8.201 ( 7.244 4.422 0.000) 8.487 8.440 ( 2.907 0.769 0.000) 3.007 8.575 ( -6.515 0.797 0.000) 6.564 8.619 ( 9.514 7.373 0.000) 12.037 8.982 ( -20.045 -8.932 0.000) 21.945 9.086 ( -23.199 5.200 0.000) 23.775 9.501 ( 0.538 8.799 0.000) 8.815 9.615 ( -29.920 3.152 0.000) 30.086 9.883 ( 10.448 18.004 0.000) 20.816 9.902 ( -24.073 -2.873 0.000) 24.243 10.085 ( -1.969 -3.614 0.000) 4.116 10.159 ( -5.837 4.375 0.000) 7.295 10.262 ( -0.094 4.860 0.000) 4.861 10.369 ( 1.832 -0.052 0.000) 1.833 10.573 ( 1.601 -0.263 0.000) 1.623 10.741 ( 6.431 -0.650 0.000) 6.464 10.851 ( -1.730 -4.271 0.000) 4.608 10.878 ( 2.108 8.688 0.000) 8.940 11.022 ( 2.822 -2.427 0.000) 3.722 11.112 ( -1.746 4.428 0.000) 4.760 11.190 ( 9.637 -3.104 0.000) 10.124 11.348 ( -0.981 -0.505 0.000) 1.103 11.424 ( 1.532 2.752 0.000) 3.150 11.507 ( 1.269 6.428 0.000) 6.552 11.811 ( 0.490 0.711 0.000) 0.864 11.849 ( -1.801 -5.038 0.000) 5.350 11.862 ( 1.031 3.675 0.000) 3.817 12.000 ( 5.571 -4.729 0.000) 7.307 12.091 ( -1.136 -1.008 0.000) 1.519 12.196 ( 18.456 -3.936 0.000) 18.871 12.357 ( 17.665 -3.616 0.000) 18.032 12.634 ( -4.044 -6.346 0.000) 7.525 12.804 ( -6.999 8.333 0.000) 10.882 12.838 ( -2.292 -0.819 0.000) 2.434 13.154 ( 4.158 -10.742 0.000) 11.518 13.422 ( -16.099 -7.703 0.000) 17.847 13.431 ( 12.261 -0.669 0.000) 12.279 13.776 ( -2.618 -4.124 0.000) 4.885 13.831 ( -2.926 2.231 0.000) 3.679 13.943 ( -8.487 -0.708 0.000) 8.516 14.248 ( -4.859 2.783 0.000) 5.599 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 19.965 -31.050 0.000) 36.915 2.481 ( 24.828 -29.251 0.000) 38.367 3.642 ( -13.346 20.510 0.000) 24.470 3.755 ( -10.110 11.445 0.000) 15.271 4.408 ( 25.885 -39.218 0.000) 46.990 4.776 ( -2.367 -4.544 0.000) 5.124 4.843 ( -4.616 -2.771 0.000) 5.383 5.067 ( 6.679 -11.368 0.000) 13.185 5.259 ( 8.618 -12.421 0.000) 15.118 5.439 ( 6.363 -6.716 0.000) 9.252 5.504 ( 17.367 -10.368 0.000) 20.227 5.572 ( 0.264 6.117 0.000) 6.122 5.598 ( 2.789 6.886 0.000) 7.429 5.941 ( -3.162 17.017 0.000) 17.308 6.042 ( -2.689 17.837 0.000) 18.039 6.110 ( -17.879 5.862 0.000) 18.815 6.195 ( -19.300 -5.233 0.000) 19.997 6.516 ( -16.173 28.514 0.000) 32.781 7.060 ( 0.641 3.644 0.000) 3.700 7.073 ( 2.022 -1.082 0.000) 2.293 7.240 ( 0.623 0.491 0.000) 0.793 7.265 ( 3.070 -0.706 0.000) 3.151 7.415 ( -0.580 -4.894 0.000) 4.928 7.433 ( 4.358 0.827 0.000) 4.436 7.659 ( 20.677 -2.055 0.000) 20.779 7.741 ( 2.801 0.463 0.000) 2.839 7.779 ( -1.882 -6.076 0.000) 6.361 7.929 ( 1.503 -4.759 0.000) 4.991 7.994 ( 4.359 4.361 0.000) 6.166 8.115 ( 4.701 -8.254 0.000) 9.499 8.221 ( 2.105 0.292 0.000) 2.125 8.316 ( 22.801 3.099 0.000) 23.011 8.415 ( -10.969 1.899 0.000) 11.133 8.538 ( 6.796 0.217 0.000) 6.799 8.592 ( 1.964 5.647 0.000) 5.979 8.718 ( -17.292 7.245 0.000) 18.749 8.874 ( -16.761 -7.144 0.000) 18.220 9.168 ( -36.613 -0.883 0.000) 36.624 9.444 ( 9.003 5.875 0.000) 10.751 9.674 ( -22.174 -5.176 0.000) 22.770 9.778 ( 11.815 11.922 0.000) 16.785 9.977 ( -8.119 4.805 0.000) 9.434 10.125 ( -2.704 -4.792 0.000) 5.502 10.225 ( 1.850 4.767 0.000) 5.113 10.407 ( 2.944 -1.724 0.000) 3.412 10.586 ( 5.181 6.880 0.000) 8.613 10.807 ( 1.252 1.105 0.000) 1.670 10.813 ( 2.079 -2.525 0.000) 3.271 10.879 ( -1.982 -2.375 0.000) 3.094 10.994 ( -1.725 6.075 0.000) 6.316 11.115 ( 1.072 -6.167 0.000) 6.259 11.274 ( -3.913 -2.962 0.000) 4.907 11.363 ( -0.403 5.055 0.000) 5.071 11.388 ( 0.788 10.104 0.000) 10.134 11.483 ( 13.727 -5.576 0.000) 14.817 11.792 ( 1.509 1.720 0.000) 2.288 11.856 ( -0.741 0.257 0.000) 0.784 11.904 ( 0.230 -0.306 0.000) 0.383 12.084 ( -5.451 -7.709 0.000) 9.441 12.175 ( 4.389 -7.063 0.000) 8.315 12.395 ( 7.415 -0.472 0.000) 7.430 12.546 ( -6.446 8.569 0.000) 10.723 12.635 ( 16.237 -0.078 0.000) 16.237 12.711 ( -4.955 -5.424 0.000) 7.347 12.847 ( 7.507 -0.219 0.000) 7.510 13.283 ( -16.780 -1.175 0.000) 16.821 13.360 ( 7.836 -6.407 0.000) 10.122 13.584 ( 12.434 1.096 0.000) 12.482 13.723 ( -9.092 2.181 0.000) 9.350 13.840 ( -5.860 2.488 0.000) 6.367 13.859 ( -1.431 -9.477 0.000) 9.584 14.133 ( -4.570 4.275 0.000) 6.258 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 16.522 -26.458 0.000) 31.193 3.080 ( -16.522 26.458 0.000) 31.193 3.201 ( 20.591 -25.610 0.000) 32.862 3.201 ( -20.591 25.610 0.000) 32.862 4.800 ( -2.088 -0.528 0.000) 2.154 4.800 ( 2.088 0.528 0.000) 2.154 5.242 ( 9.687 -4.976 0.000) 10.890 5.242 ( -9.687 4.976 0.000) 10.890 5.486 ( -5.584 1.386 0.000) 5.753 5.486 ( 5.584 -1.386 0.000) 5.753 5.599 ( 5.330 -19.385 0.000) 20.104 5.599 ( -5.330 19.385 0.000) 20.104 5.678 ( 8.146 -9.798 0.000) 12.742 5.678 ( -8.146 9.798 0.000) 12.742 5.900 ( -9.745 -3.327 0.000) 10.298 5.900 ( 9.745 3.327 0.000) 10.298 6.008 ( -2.446 1.008 0.000) 2.646 6.008 ( 2.446 -1.008 0.000) 2.646 7.060 ( -0.241 -2.502 0.000) 2.513 7.060 ( 0.241 2.502 0.000) 2.513 7.272 ( -0.027 -2.201 0.000) 2.201 7.272 ( 0.027 2.201 0.000) 2.201 7.455 ( -3.224 -3.134 0.000) 4.496 7.455 ( 3.224 3.134 0.000) 4.496 7.759 ( -1.825 -1.187 0.000) 2.177 7.759 ( 1.825 1.187 0.000) 2.177 7.937 ( 0.408 -6.550 0.000) 6.563 7.937 ( -0.408 6.550 0.000) 6.563 8.095 ( -19.926 1.856 0.000) 20.013 8.095 ( 19.926 -1.856 0.000) 20.013 8.273 ( 2.397 -5.087 0.000) 5.623 8.273 ( -2.397 5.087 0.000) 5.623 8.532 ( -4.203 -0.940 0.000) 4.307 8.532 ( 4.203 0.940 0.000) 4.307 8.561 ( -6.996 2.378 0.000) 7.389 8.561 ( 6.996 -2.378 0.000) 7.389 8.840 ( -10.889 -1.209 0.000) 10.956 8.840 ( 10.889 1.209 0.000) 10.956 9.518 ( -16.810 -5.889 0.000) 17.811 9.518 ( 16.810 5.889 0.000) 17.811 9.824 ( -10.299 -0.613 0.000) 10.317 9.824 ( 10.299 0.613 0.000) 10.317 10.169 ( -2.325 -5.157 0.000) 5.657 10.169 ( 2.325 5.157 0.000) 5.657 10.497 ( 0.838 -6.234 0.000) 6.290 10.497 ( -0.838 6.234 0.000) 6.290 10.839 ( 0.247 -1.594 0.000) 1.613 10.839 ( -0.247 1.594 0.000) 1.613 10.907 ( -1.809 -5.315 0.000) 5.615 10.907 ( 1.809 5.315 0.000) 5.615 11.238 ( -0.371 -9.206 0.000) 9.214 11.238 ( 0.371 9.206 0.000) 9.214 11.292 ( -1.912 -4.757 0.000) 5.127 11.292 ( 1.912 4.757 0.000) 5.127 11.725 ( -9.272 4.543 0.000) 10.325 11.725 ( 9.272 -4.543 0.000) 10.325 11.850 ( 0.636 -0.730 0.000) 0.969 11.850 ( -0.636 0.730 0.000) 0.969 12.220 ( -0.921 -9.100 0.000) 9.146 12.220 ( 0.921 9.100 0.000) 9.146 12.413 ( -2.696 -2.428 0.000) 3.628 12.413 ( 2.696 2.428 0.000) 3.628 12.718 ( -6.382 -3.879 0.000) 7.468 12.718 ( 6.382 3.879 0.000) 7.468 13.057 ( -18.692 1.259 0.000) 18.734 13.057 ( 18.692 -1.259 0.000) 18.734 13.552 ( -10.410 3.700 0.000) 11.048 13.552 ( 10.410 -3.700 0.000) 11.048 13.717 ( -8.472 1.671 0.000) 8.636 13.717 ( 8.472 -1.671 0.000) 8.636 14.001 ( 1.965 -7.549 0.000) 7.800 14.001 ( -1.965 7.549 0.000) 7.800 ======================= Grid point 10 (6/84) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 43.738 0.000 0.000) 43.738 1.122 ( 44.517 0.000 0.000) 44.517 1.722 ( 67.421 0.000 0.000) 67.421 4.290 ( 9.006 0.000 0.000) 9.006 4.505 ( -1.266 -0.000 0.000) 1.266 4.613 ( -0.690 -0.000 0.000) 0.690 4.709 ( 0.495 0.000 0.000) 0.495 4.812 ( -0.584 -0.000 0.000) 0.584 4.903 ( -4.544 -0.000 0.000) 4.544 4.998 ( 1.766 0.000 0.000) 1.766 5.139 ( 0.672 0.000 0.000) 0.672 5.870 ( -0.838 -0.000 0.000) 0.838 5.967 ( -13.505 -0.000 0.000) 13.505 6.105 ( -1.885 -0.000 0.000) 1.885 6.422 ( -18.485 -0.000 0.000) 18.485 6.618 ( 4.809 0.000 0.000) 4.809 6.681 ( -10.614 -0.000 0.000) 10.614 6.696 ( -8.891 -0.000 0.000) 8.891 7.134 ( 7.561 0.000 0.000) 7.561 7.211 ( 3.492 0.000 0.000) 3.492 7.304 ( 7.536 0.000 0.000) 7.536 7.318 ( 16.097 0.000 0.000) 16.097 7.432 ( 8.457 0.000 0.000) 8.457 7.449 ( -2.016 -0.000 0.000) 2.016 7.501 ( -2.719 -0.000 0.000) 2.719 7.529 ( 8.290 0.000 0.000) 8.290 7.532 ( -6.255 -0.000 0.000) 6.255 7.651 ( -0.867 -0.000 0.000) 0.867 7.751 ( 5.885 0.000 0.000) 5.885 7.906 ( 4.660 0.000 0.000) 4.660 8.186 ( 14.945 0.000 0.000) 14.945 8.292 ( 9.330 0.000 0.000) 9.330 8.478 ( 1.009 0.000 0.000) 1.009 8.579 ( -7.132 -0.000 0.000) 7.132 8.825 ( -18.279 -0.000 0.000) 18.279 8.864 ( -5.936 -0.000 0.000) 5.936 9.176 ( -20.286 -0.000 0.000) 20.286 9.645 ( -0.601 -0.000 0.000) 0.601 9.698 ( -33.203 -0.000 0.000) 33.203 9.793 ( -35.006 -0.000 0.000) 35.006 10.022 ( -2.213 -0.000 0.000) 2.213 10.114 ( -0.408 -0.000 0.000) 0.408 10.235 ( 0.688 0.000 0.000) 0.688 10.411 ( 0.465 0.000 0.000) 0.465 10.442 ( -0.356 -0.000 0.000) 0.356 10.534 ( -0.121 -0.000 0.000) 0.121 10.744 ( -3.493 -0.000 0.000) 3.493 10.765 ( 13.139 0.000 0.000) 13.139 11.095 ( 5.089 0.000 0.000) 5.089 11.107 ( 10.759 0.000 0.000) 10.759 11.147 ( 4.931 0.000 0.000) 4.931 11.219 ( -0.617 -0.000 0.000) 0.617 11.425 ( 0.376 0.000 0.000) 0.376 11.543 ( -5.683 -0.000 0.000) 5.683 11.664 ( 2.951 0.000 0.000) 2.951 11.715 ( -8.417 -0.000 0.000) 8.417 11.919 ( 8.913 0.000 0.000) 8.913 11.947 ( -0.171 -0.000 0.000) 0.171 11.997 ( -1.803 -0.000 0.000) 1.803 12.184 ( 11.933 0.000 0.000) 11.933 12.186 ( 12.781 0.000 0.000) 12.781 12.269 ( 15.031 0.000 0.000) 15.031 12.387 ( -4.989 -0.000 0.000) 4.989 12.655 ( -0.871 -0.000 0.000) 0.871 12.797 ( 2.495 0.000 0.000) 2.495 12.824 ( 2.194 0.000 0.000) 2.194 13.038 ( -5.817 -0.000 0.000) 5.817 13.400 ( 9.902 0.000 0.000) 9.902 13.758 ( -1.567 -0.000 0.000) 1.567 13.803 ( -10.671 -0.000 0.000) 10.671 13.970 ( 0.723 0.000 0.000) 0.723 14.315 ( -3.316 -0.000 0.000) 3.316 ======================= Grid point 11 (7/84) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 41.190 -8.707 0.000) 42.101 1.751 ( 39.687 -14.605 0.000) 42.289 2.834 ( 55.780 -34.167 0.000) 65.413 4.257 ( 4.887 16.849 0.000) 17.544 4.476 ( -4.557 13.280 0.000) 14.040 4.537 ( -1.254 -5.639 0.000) 5.777 4.770 ( -2.687 -2.259 0.000) 3.511 4.848 ( -1.132 -4.863 0.000) 4.993 4.853 ( -3.622 -7.462 0.000) 8.295 5.131 ( 8.927 -11.232 0.000) 14.347 5.226 ( 4.342 -7.675 0.000) 8.818 5.781 ( -14.956 -0.445 0.000) 14.963 5.807 ( -1.281 5.687 0.000) 5.829 6.046 ( -5.047 2.226 0.000) 5.516 6.156 ( -22.950 0.365 0.000) 22.953 6.410 ( -5.804 12.537 0.000) 13.816 6.519 ( -8.575 8.339 0.000) 11.961 6.806 ( 0.708 -9.117 0.000) 9.144 7.209 ( 0.509 6.246 0.000) 6.267 7.241 ( 7.770 0.127 0.000) 7.771 7.268 ( -0.589 8.324 0.000) 8.345 7.377 ( -0.356 3.067 0.000) 3.088 7.382 ( -2.422 7.147 0.000) 7.546 7.453 ( 4.461 2.639 0.000) 5.183 7.564 ( -0.277 -7.384 0.000) 7.389 7.588 ( 18.536 -2.579 0.000) 18.715 7.691 ( 0.994 -3.921 0.000) 4.045 7.720 ( 4.336 -7.530 0.000) 8.689 7.894 ( 10.146 -4.882 0.000) 11.259 7.984 ( 4.899 -1.794 0.000) 5.217 8.338 ( 1.683 3.993 0.000) 4.333 8.373 ( 11.707 0.227 0.000) 11.709 8.459 ( -10.976 0.717 0.000) 10.999 8.552 ( 12.517 0.735 0.000) 12.539 8.612 ( -13.602 -3.707 0.000) 14.098 8.789 ( 0.887 3.508 0.000) 3.618 8.889 ( -21.773 2.854 0.000) 21.959 9.201 ( -37.506 3.383 0.000) 37.658 9.427 ( -33.468 -8.085 0.000) 34.430 9.607 ( 0.600 3.690 0.000) 3.739 10.008 ( -0.375 1.147 0.000) 1.206 10.132 ( 0.283 -1.015 0.000) 1.053 10.179 ( -2.698 4.441 0.000) 5.196 10.402 ( 4.690 6.801 0.000) 8.262 10.433 ( 2.441 1.444 0.000) 2.836 10.611 ( 5.763 -4.138 0.000) 7.095 10.715 ( -4.617 -2.720 0.000) 5.359 10.888 ( 7.842 1.272 0.000) 7.945 11.041 ( 0.577 9.331 0.000) 9.349 11.156 ( 2.566 7.507 0.000) 7.934 11.180 ( 2.603 4.365 0.000) 5.082 11.244 ( 7.365 2.104 0.000) 7.660 11.409 ( 3.322 4.417 0.000) 5.527 11.455 ( 0.530 -1.055 0.000) 1.181 11.601 ( -2.459 3.834 0.000) 4.555 11.704 ( -0.343 -4.692 0.000) 4.704 11.792 ( 3.045 2.786 0.000) 4.128 11.941 ( -6.295 2.378 0.000) 6.729 12.056 ( 7.622 -0.572 0.000) 7.643 12.105 ( -1.302 7.183 0.000) 7.300 12.355 ( 12.235 -1.314 0.000) 12.306 12.464 ( -7.033 -8.087 0.000) 10.717 12.572 ( 19.735 -2.021 0.000) 19.838 12.763 ( -7.165 -5.291 0.000) 8.907 12.856 ( 5.938 0.001 0.000) 5.938 12.979 ( 2.857 -13.809 0.000) 14.102 13.017 ( -11.061 -11.437 0.000) 15.910 13.561 ( 13.056 -2.289 0.000) 13.256 13.654 ( -15.603 -1.951 0.000) 15.724 13.739 ( -0.361 0.688 0.000) 0.777 13.944 ( -2.506 2.151 0.000) 3.303 14.254 ( -2.179 2.801 0.000) 3.548 ======================= Grid point 12 (8/84) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 35.743 -15.343 0.000) 38.897 2.479 ( 34.756 -18.754 0.000) 39.493 3.864 ( 16.698 -2.854 0.000) 16.940 3.933 ( -0.544 27.030 0.000) 27.036 4.262 ( 16.370 -12.356 0.000) 20.510 4.635 ( -1.545 -8.917 0.000) 9.050 4.729 ( -5.213 -3.295 0.000) 6.167 4.932 ( -1.545 -9.232 0.000) 9.360 5.043 ( -0.916 -16.538 0.000) 16.563 5.449 ( 8.300 -8.908 0.000) 12.176 5.487 ( 8.666 -11.227 0.000) 14.183 5.616 ( -14.356 -1.583 0.000) 14.443 5.710 ( 4.808 4.009 0.000) 6.260 5.865 ( -22.895 -1.190 0.000) 22.926 5.936 ( -7.616 1.055 0.000) 7.689 6.137 ( -5.498 13.338 0.000) 14.426 6.242 ( -6.425 14.137 0.000) 15.528 6.731 ( -13.021 19.699 0.000) 23.614 7.082 ( 2.457 0.818 0.000) 2.589 7.098 ( -6.653 5.073 0.000) 8.367 7.287 ( 0.400 3.825 0.000) 3.846 7.314 ( 3.921 0.451 0.000) 3.947 7.381 ( 1.951 -0.483 0.000) 2.010 7.497 ( 4.698 -0.355 0.000) 4.712 7.640 ( -2.973 -5.454 0.000) 6.212 7.745 ( 0.177 -1.567 0.000) 1.576 7.796 ( 0.899 -3.479 0.000) 3.593 7.927 ( 12.767 -8.038 0.000) 15.087 8.052 ( -2.101 -2.120 0.000) 2.985 8.123 ( 17.368 -2.491 0.000) 17.546 8.194 ( -10.212 6.840 0.000) 12.291 8.335 ( -3.038 1.669 0.000) 3.467 8.382 ( -12.701 -8.174 0.000) 15.104 8.568 ( -28.550 -0.885 0.000) 28.564 8.639 ( 5.020 3.194 0.000) 5.950 8.651 ( -4.430 5.599 0.000) 7.140 8.835 ( 1.910 0.778 0.000) 2.062 8.870 ( 21.907 0.616 0.000) 21.916 9.201 ( -26.983 -10.713 0.000) 29.032 9.588 ( 5.192 2.539 0.000) 5.780 9.975 ( -0.789 1.377 0.000) 1.587 10.044 ( -2.517 8.648 0.000) 9.007 10.132 ( 1.927 2.491 0.000) 3.150 10.341 ( 2.455 6.418 0.000) 6.872 10.454 ( 3.387 1.242 0.000) 3.607 10.724 ( -3.102 -5.251 0.000) 6.099 10.740 ( 6.413 -1.089 0.000) 6.504 10.869 ( -2.033 10.753 0.000) 10.944 10.929 ( 5.122 3.686 0.000) 6.310 11.089 ( -0.720 1.591 0.000) 1.747 11.094 ( 1.651 7.575 0.000) 7.753 11.216 ( 0.370 1.824 0.000) 1.861 11.436 ( -0.394 3.041 0.000) 3.067 11.512 ( -1.202 5.164 0.000) 5.302 11.555 ( 10.506 -4.924 0.000) 11.603 11.799 ( -6.670 3.647 0.000) 7.602 11.809 ( -1.311 -2.045 0.000) 2.430 11.849 ( 3.597 -9.680 0.000) 10.326 11.965 ( -7.014 4.596 0.000) 8.386 12.192 ( 9.798 -2.582 0.000) 10.133 12.485 ( -7.190 -5.808 0.000) 9.243 12.515 ( 9.603 0.378 0.000) 9.610 12.662 ( -3.842 5.826 0.000) 6.979 12.731 ( 4.454 -1.493 0.000) 4.697 13.004 ( -16.271 -6.727 0.000) 17.607 13.017 ( 16.303 -1.679 0.000) 16.389 13.233 ( 1.964 -14.013 0.000) 14.150 13.488 ( -18.227 -4.249 0.000) 18.716 13.735 ( 5.209 1.392 0.000) 5.392 13.786 ( 10.565 -5.318 0.000) 11.828 13.834 ( -7.873 3.695 0.000) 8.697 14.191 ( 1.177 4.411 0.000) 4.565 ======================= Grid point 13 (9/84) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 29.402 -15.168 0.000) 33.083 3.170 ( 28.617 -17.683 0.000) 33.640 3.435 ( -2.432 32.836 0.000) 32.926 3.445 ( -10.233 29.945 0.000) 31.646 4.705 ( -3.082 -6.459 0.000) 7.157 4.760 ( 0.949 -7.512 0.000) 7.571 5.078 ( -5.770 -10.948 0.000) 12.375 5.173 ( 22.859 -26.159 0.000) 34.740 5.284 ( -5.064 -17.513 0.000) 18.230 5.421 ( -13.681 3.118 0.000) 14.031 5.490 ( -10.650 -9.041 0.000) 13.971 5.619 ( 5.576 -1.232 0.000) 5.711 5.628 ( -8.955 1.013 0.000) 9.012 5.806 ( -7.471 7.832 0.000) 10.824 5.839 ( -4.902 16.226 0.000) 16.950 6.033 ( -0.845 6.588 0.000) 6.642 6.058 ( 5.082 -0.709 0.000) 5.131 6.104 ( 0.137 12.029 0.000) 12.029 6.986 ( -6.848 -2.334 0.000) 7.234 7.090 ( -1.558 2.802 0.000) 3.206 7.273 ( 2.476 0.256 0.000) 2.489 7.326 ( 1.473 2.706 0.000) 3.081 7.402 ( -0.233 -0.510 0.000) 0.560 7.550 ( 3.975 1.783 0.000) 4.356 7.665 ( -4.388 -4.030 0.000) 5.958 7.716 ( -9.496 1.536 0.000) 9.620 7.813 ( -6.201 -5.214 0.000) 8.102 7.883 ( -12.158 0.421 0.000) 12.165 8.082 ( 2.093 6.528 0.000) 6.855 8.153 ( 2.328 -6.531 0.000) 6.933 8.213 ( -29.577 -3.230 0.000) 29.753 8.304 ( -1.201 1.321 0.000) 1.785 8.384 ( -2.547 -4.833 0.000) 5.463 8.393 ( 13.926 -2.928 0.000) 14.230 8.478 ( -6.941 1.844 0.000) 7.182 8.651 ( 10.463 1.868 0.000) 10.629 8.998 ( 12.010 0.904 0.000) 12.044 9.108 ( -11.107 -11.475 0.000) 15.970 9.221 ( 33.283 1.628 0.000) 33.323 9.663 ( 8.591 -1.025 0.000) 8.651 9.852 ( -3.633 10.872 0.000) 11.463 9.973 ( 0.807 -1.874 0.000) 2.041 10.131 ( 3.343 0.985 0.000) 3.485 10.281 ( 2.629 4.883 0.000) 5.546 10.462 ( -0.444 0.018 0.000) 0.444 10.636 ( -1.322 13.148 0.000) 13.214 10.796 ( -1.129 -6.079 0.000) 6.183 10.818 ( -0.245 -1.068 0.000) 1.096 10.890 ( -0.014 4.018 0.000) 4.018 11.026 ( 3.620 5.647 0.000) 6.708 11.117 ( 1.991 -4.420 0.000) 4.848 11.243 ( 2.903 -1.977 0.000) 3.512 11.363 ( -0.706 7.012 0.000) 7.047 11.410 ( 1.648 5.877 0.000) 6.103 11.645 ( -12.524 3.440 0.000) 12.988 11.715 ( 0.154 -4.230 0.000) 4.233 11.828 ( -1.409 -0.810 0.000) 1.625 11.828 ( -2.035 -0.447 0.000) 2.084 12.061 ( 2.764 -11.517 0.000) 11.844 12.332 ( 6.523 0.544 0.000) 6.546 12.438 ( -1.752 3.844 0.000) 4.225 12.542 ( 4.768 6.124 0.000) 7.762 12.554 ( -8.453 -1.359 0.000) 8.562 12.817 ( 5.601 -0.691 0.000) 5.643 12.848 ( -14.432 -0.950 0.000) 14.464 13.242 ( 13.243 -3.100 0.000) 13.601 13.343 ( -16.531 -4.982 0.000) 17.266 13.448 ( -0.065 -12.084 0.000) 12.084 13.647 ( -11.761 4.050 0.000) 12.439 13.801 ( 6.446 -1.178 0.000) 6.553 14.002 ( 10.927 -4.239 0.000) 11.721 14.135 ( 3.015 6.653 0.000) 7.304 ======================= Grid point 14 (10/84) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( -13.323 35.172 0.000) 37.611 2.805 ( -5.090 38.632 0.000) 38.966 3.640 ( 26.008 -11.743 0.000) 28.536 3.776 ( 23.855 -12.814 0.000) 27.079 4.746 ( -19.750 34.978 0.000) 40.169 4.786 ( 0.798 -6.001 0.000) 6.054 4.884 ( 0.448 -4.086 0.000) 4.111 5.059 ( -20.728 5.403 0.000) 21.420 5.203 ( -14.728 7.144 0.000) 16.369 5.405 ( -11.007 6.983 0.000) 13.035 5.442 ( -7.530 -0.661 0.000) 7.559 5.566 ( -3.003 11.729 0.000) 12.107 5.589 ( -0.696 5.228 0.000) 5.274 5.674 ( 1.454 -18.526 0.000) 18.583 5.785 ( -2.183 -13.439 0.000) 13.615 6.111 ( 17.683 -22.267 0.000) 28.434 6.329 ( 11.707 -17.590 0.000) 21.129 6.449 ( 17.696 -5.610 0.000) 18.564 6.995 ( -5.019 1.981 0.000) 5.396 7.001 ( -3.621 -7.105 0.000) 7.974 7.279 ( 0.807 4.542 0.000) 4.613 7.281 ( 1.121 2.777 0.000) 2.995 7.381 ( -2.621 0.615 0.000) 2.692 7.456 ( -15.576 3.830 0.000) 16.040 7.538 ( 1.694 6.722 0.000) 6.932 7.663 ( -4.545 -2.950 0.000) 5.418 7.836 ( -6.142 -7.525 0.000) 9.714 7.859 ( 0.294 -1.128 0.000) 1.166 7.923 ( -15.951 -0.429 0.000) 15.957 8.035 ( -3.766 1.626 0.000) 4.103 8.170 ( -3.820 0.807 0.000) 3.904 8.197 ( -3.434 7.377 0.000) 8.137 8.435 ( -7.352 -4.882 0.000) 8.825 8.459 ( -0.443 1.019 0.000) 1.111 8.476 ( 1.469 -6.631 0.000) 6.792 8.936 ( 28.094 -2.502 0.000) 28.205 9.070 ( -5.638 -11.842 0.000) 13.116 9.279 ( 16.070 0.833 0.000) 16.091 9.558 ( 20.271 0.391 0.000) 20.275 9.644 ( -4.848 7.545 0.000) 8.968 9.848 ( 15.121 -3.960 0.000) 15.631 10.056 ( 3.056 -4.818 0.000) 5.705 10.173 ( 2.468 -1.113 0.000) 2.707 10.255 ( 3.962 4.400 0.000) 5.921 10.441 ( -2.268 7.935 0.000) 8.252 10.481 ( 1.493 -4.022 0.000) 4.290 10.786 ( -3.541 0.811 0.000) 3.633 10.786 ( -4.248 1.493 0.000) 4.503 10.934 ( 3.702 -4.720 0.000) 5.999 10.995 ( 4.170 4.976 0.000) 6.492 11.216 ( -1.944 8.382 0.000) 8.604 11.251 ( 4.352 -6.787 0.000) 8.063 11.326 ( 3.407 -2.960 0.000) 4.513 11.350 ( -6.352 5.644 0.000) 8.497 11.420 ( -4.370 3.890 0.000) 5.851 11.689 ( -9.369 -2.310 0.000) 9.650 11.813 ( -2.051 -3.035 0.000) 3.663 11.881 ( -0.730 -1.617 0.000) 1.774 12.215 ( 0.288 -2.263 0.000) 2.281 12.272 ( -0.674 8.196 0.000) 8.224 12.356 ( -12.912 5.335 0.000) 13.970 12.408 ( -6.926 0.450 0.000) 6.940 12.530 ( 5.323 -0.381 0.000) 5.337 12.814 ( 3.317 -3.048 0.000) 4.505 12.851 ( 4.183 4.367 0.000) 6.047 13.239 ( -11.418 -4.175 0.000) 12.158 13.438 ( -13.062 2.382 0.000) 13.278 13.441 ( 10.423 -3.537 0.000) 11.007 13.604 ( -2.521 -10.220 0.000) 10.527 13.921 ( 7.096 -2.711 0.000) 7.597 14.048 ( 3.049 9.497 0.000) 9.974 14.178 ( 8.880 -2.494 0.000) 9.224 ======================= Grid point 15 (11/84) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -10.524 39.232 0.000) 40.619 2.116 ( -3.613 42.701 0.000) 42.854 3.543 ( -15.294 58.979 0.000) 60.930 4.051 ( 17.279 -5.082 0.000) 18.011 4.375 ( 14.838 -7.400 0.000) 16.580 4.722 ( -16.293 5.306 0.000) 17.135 4.853 ( -13.031 -0.088 0.000) 13.032 4.893 ( 4.533 -2.437 0.000) 5.147 5.018 ( 0.841 4.035 0.000) 4.122 5.127 ( -9.926 8.725 0.000) 13.216 5.321 ( -4.195 10.483 0.000) 11.291 5.521 ( -1.788 -12.539 0.000) 12.665 5.580 ( -0.412 -3.774 0.000) 3.797 5.987 ( 0.883 -18.999 0.000) 19.019 6.095 ( 1.008 -22.491 0.000) 22.513 6.483 ( 9.894 -8.506 0.000) 13.048 6.605 ( 11.830 10.772 0.000) 15.999 6.783 ( 3.922 -21.128 0.000) 21.489 6.983 ( -4.498 -9.773 0.000) 10.758 7.067 ( 2.529 -0.289 0.000) 2.545 7.198 ( -3.364 4.248 0.000) 5.419 7.215 ( -2.138 4.971 0.000) 5.411 7.229 ( -8.214 4.135 0.000) 9.196 7.386 ( 0.974 -4.984 0.000) 5.078 7.438 ( 1.236 8.951 0.000) 9.036 7.645 ( -3.739 -1.339 0.000) 3.971 7.782 ( -9.231 -2.414 0.000) 9.542 7.863 ( 3.621 5.169 0.000) 6.311 7.877 ( -3.858 -5.357 0.000) 6.602 7.960 ( -4.453 3.585 0.000) 5.716 8.051 ( -1.679 5.597 0.000) 5.843 8.103 ( -3.199 1.055 0.000) 3.368 8.402 ( -8.476 -4.014 0.000) 9.379 8.425 ( -0.711 1.254 0.000) 1.441 8.588 ( 2.017 -4.287 0.000) 4.738 9.268 ( 0.623 -16.700 0.000) 16.711 9.319 ( 23.890 -3.385 0.000) 24.129 9.348 ( 7.780 9.919 0.000) 12.606 9.585 ( -1.666 -5.300 0.000) 5.555 9.741 ( 5.963 -5.359 0.000) 8.017 9.966 ( -10.539 -3.813 0.000) 11.208 10.167 ( 4.561 -4.313 0.000) 6.278 10.226 ( 5.797 6.367 0.000) 8.611 10.352 ( 20.929 -3.393 0.000) 21.202 10.357 ( -1.660 0.551 0.000) 1.749 10.644 ( 9.771 -6.221 0.000) 11.583 10.670 ( -8.017 3.454 0.000) 8.730 10.755 ( -2.303 -1.458 0.000) 2.726 10.966 ( 3.379 5.135 0.000) 6.147 11.054 ( 1.916 -4.777 0.000) 5.147 11.074 ( -1.841 6.126 0.000) 6.397 11.132 ( -8.205 4.936 0.000) 9.576 11.379 ( 1.048 -1.938 0.000) 2.203 11.398 ( 2.162 1.995 0.000) 2.942 11.420 ( 3.729 -4.629 0.000) 5.945 11.614 ( -9.965 -6.933 0.000) 12.140 11.850 ( -0.611 -3.439 0.000) 3.492 11.854 ( -5.942 1.149 0.000) 6.052 11.989 ( -17.928 4.665 0.000) 18.525 12.121 ( -0.639 11.332 0.000) 11.350 12.210 ( 1.929 7.686 0.000) 7.924 12.302 ( -3.551 4.950 0.000) 6.093 12.696 ( 4.104 -9.274 0.000) 10.141 12.800 ( 1.993 5.629 0.000) 5.972 12.914 ( 6.715 0.879 0.000) 6.773 13.177 ( -4.770 0.047 0.000) 4.771 13.278 ( -10.404 -1.629 0.000) 10.530 13.594 ( 7.117 -1.504 0.000) 7.275 13.713 ( -2.709 -8.538 0.000) 8.957 13.924 ( 1.962 9.892 0.000) 10.085 14.043 ( 5.035 -2.934 0.000) 5.827 14.298 ( 5.873 -1.090 0.000) 5.973 ======================= Grid point 16 (12/84) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.000 41.851 0.000) 41.851 1.409 ( 0.000 44.871 0.000) 44.871 2.370 ( 0.000 72.850 0.000) 72.850 4.181 ( 0.000 0.664 0.000) 0.664 4.569 ( 0.000 2.003 0.000) 2.003 4.619 ( -0.000 -5.507 0.000) 5.507 4.716 ( 0.000 2.392 0.000) 2.392 4.899 ( 0.000 6.846 0.000) 6.846 4.982 ( 0.000 2.644 0.000) 2.644 4.989 ( -0.000 -0.964 0.000) 0.964 5.166 ( 0.000 5.037 0.000) 5.037 5.681 ( -0.000 -8.846 0.000) 8.846 5.741 ( -0.000 -15.284 0.000) 15.284 6.266 ( -0.000 -15.721 0.000) 15.721 6.447 ( -0.000 -20.973 0.000) 20.973 6.473 ( 0.000 13.148 0.000) 13.148 6.651 ( -0.000 -4.429 0.000) 4.429 7.027 ( 0.000 7.488 0.000) 7.488 7.049 ( -0.000 -11.381 0.000) 11.381 7.111 ( -0.000 -1.226 0.000) 1.226 7.132 ( 0.000 4.807 0.000) 4.807 7.133 ( -0.000 -1.664 0.000) 1.664 7.134 ( -0.000 -7.361 0.000) 7.361 7.304 ( 0.000 8.186 0.000) 8.186 7.491 ( -0.000 -3.500 0.000) 3.500 7.629 ( -0.000 -0.941 0.000) 0.941 7.741 ( 0.000 2.055 0.000) 2.055 7.791 ( 0.000 8.003 0.000) 8.003 7.818 ( 0.000 8.095 0.000) 8.095 7.893 ( 0.000 0.465 0.000) 0.465 7.986 ( 0.000 1.573 0.000) 1.573 8.087 ( -0.000 -2.358 0.000) 2.358 8.384 ( -0.000 -2.358 0.000) 2.358 8.423 ( -0.000 -1.682 0.000) 1.682 8.649 ( -0.000 -1.748 0.000) 1.748 9.252 ( 0.000 7.388 0.000) 7.388 9.533 ( -0.000 -0.676 0.000) 0.676 9.590 ( -0.000 -21.431 0.000) 21.431 9.644 ( -0.000 -4.434 0.000) 4.434 9.902 ( -0.000 -7.139 0.000) 7.139 9.913 ( -0.000 -6.957 0.000) 6.957 10.207 ( 0.000 3.392 0.000) 3.392 10.258 ( -0.000 -2.959 0.000) 2.959 10.341 ( 0.000 0.377 0.000) 0.377 10.529 ( 0.000 4.844 0.000) 4.844 10.626 ( -0.000 -5.268 0.000) 5.268 10.718 ( -0.000 -3.807 0.000) 3.807 10.856 ( -0.000 -3.263 0.000) 3.263 10.902 ( 0.000 5.923 0.000) 5.923 11.014 ( 0.000 0.963 0.000) 0.963 11.019 ( 0.000 2.429 0.000) 2.429 11.072 ( 0.000 1.022 0.000) 1.022 11.381 ( 0.000 2.347 0.000) 2.347 11.392 ( -0.000 -0.963 0.000) 0.963 11.529 ( -0.000 -7.976 0.000) 7.976 11.615 ( 0.000 7.988 0.000) 7.988 11.753 ( -0.000 -13.044 0.000) 13.044 11.898 ( -0.000 -2.892 0.000) 2.892 11.906 ( 0.000 14.297 0.000) 14.297 11.911 ( -0.000 -0.189 0.000) 0.189 12.105 ( 0.000 6.433 0.000) 6.433 12.202 ( 0.000 4.431 0.000) 4.431 12.683 ( 0.000 6.881 0.000) 6.881 12.903 ( 0.000 4.941 0.000) 4.941 12.917 ( -0.000 -10.902 0.000) 10.902 13.098 ( 0.000 8.220 0.000) 8.220 13.242 ( -0.000 -2.016 0.000) 2.016 13.657 ( -0.000 -0.520 0.000) 0.520 13.806 ( -0.000 -5.383 0.000) 5.383 13.818 ( 0.000 4.729 0.000) 4.729 14.122 ( -0.000 -2.278 0.000) 2.278 14.351 ( -0.000 -0.611 0.000) 0.611 ======================= Grid point 19 (13/84) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 42.201 0.000 0.000) 42.201 2.195 ( 41.696 0.000 0.000) 41.696 3.303 ( 59.139 0.000 0.000) 59.139 4.441 ( -1.395 -0.000 0.000) 1.395 4.590 ( -1.030 -0.000 0.000) 1.030 4.608 ( 13.259 0.000 0.000) 13.259 4.700 ( -4.325 -0.000 0.000) 4.325 4.732 ( -5.324 -0.000 0.000) 5.324 4.754 ( -3.673 -0.000 0.000) 3.673 5.077 ( 3.541 0.000 0.000) 3.541 5.168 ( 1.756 0.000 0.000) 1.756 5.512 ( -22.191 -0.000 0.000) 22.191 5.832 ( -1.364 -0.000 0.000) 1.364 5.843 ( -26.991 -0.000 0.000) 26.991 6.051 ( -2.281 -0.000 0.000) 2.281 6.435 ( -9.010 -0.000 0.000) 9.010 6.468 ( -8.740 -0.000 0.000) 8.740 6.742 ( 3.034 0.000 0.000) 3.034 7.236 ( -15.376 -0.000 0.000) 15.376 7.263 ( -0.139 -0.000 0.000) 0.139 7.331 ( 4.828 0.000 0.000) 4.828 7.392 ( -2.090 -0.000 0.000) 2.090 7.438 ( -2.301 -0.000 0.000) 2.301 7.494 ( 7.335 0.000 0.000) 7.335 7.595 ( 5.017 0.000 0.000) 5.017 7.609 ( -2.540 -0.000 0.000) 2.540 7.717 ( 7.857 0.000 0.000) 7.857 7.750 ( 7.000 0.000 0.000) 7.000 8.007 ( -0.502 -0.000 0.000) 0.502 8.095 ( 25.829 0.000 0.000) 25.829 8.212 ( -17.332 -0.000 0.000) 17.332 8.319 ( -11.465 -0.000 0.000) 11.465 8.375 ( -0.279 -0.000 0.000) 0.279 8.550 ( -32.261 -0.000 0.000) 32.261 8.686 ( 3.525 0.000 0.000) 3.525 8.770 ( 16.601 0.000 0.000) 16.601 8.882 ( 20.583 0.000 0.000) 20.583 8.908 ( -29.705 -0.000 0.000) 29.705 8.932 ( -16.937 -0.000 0.000) 16.937 9.629 ( -0.526 -0.000 0.000) 0.526 10.041 ( 1.889 0.000 0.000) 1.889 10.103 ( -0.461 -0.000 0.000) 0.461 10.192 ( -1.542 -0.000 0.000) 1.542 10.461 ( 2.575 0.000 0.000) 2.575 10.566 ( 4.813 0.000 0.000) 4.813 10.573 ( 2.223 0.000 0.000) 2.223 10.613 ( -7.249 -0.000 0.000) 7.249 10.989 ( 6.790 0.000 0.000) 6.790 11.128 ( -0.946 -0.000 0.000) 0.946 11.135 ( -7.166 -0.000 0.000) 7.166 11.275 ( 5.554 0.000 0.000) 5.554 11.437 ( -1.783 -0.000 0.000) 1.783 11.447 ( 13.491 0.000 0.000) 13.491 11.470 ( 2.657 0.000 0.000) 2.657 11.507 ( -7.352 -0.000 0.000) 7.352 11.733 ( 3.367 0.000 0.000) 3.367 11.842 ( -9.712 -0.000 0.000) 9.712 11.904 ( -4.291 -0.000 0.000) 4.291 12.154 ( -3.897 -0.000 0.000) 3.897 12.192 ( 12.855 0.000 0.000) 12.855 12.254 ( -4.294 -0.000 0.000) 4.294 12.471 ( 8.620 0.000 0.000) 8.620 12.626 ( -1.406 -0.000 0.000) 1.406 12.717 ( 6.436 0.000 0.000) 6.436 12.816 ( -1.210 -0.000 0.000) 1.210 12.872 ( -6.674 -0.000 0.000) 6.674 13.065 ( 18.720 0.000 0.000) 18.720 13.422 ( -19.401 -0.000 0.000) 19.401 13.697 ( 11.329 0.000 0.000) 11.329 13.764 ( 3.779 0.000 0.000) 3.779 13.895 ( -8.034 -0.000 0.000) 8.034 14.265 ( 0.340 0.000 0.000) 0.340 ======================= Grid point 20 (14/84) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 39.606 -4.174 0.000) 39.825 2.741 ( 39.421 -7.851 0.000) 40.195 4.119 ( 41.668 -9.394 0.000) 42.714 4.393 ( 0.503 12.627 0.000) 12.637 4.399 ( 5.043 20.111 0.000) 20.734 4.507 ( -0.031 1.488 0.000) 1.488 4.620 ( -6.202 -2.047 0.000) 6.531 4.778 ( -3.940 -4.714 0.000) 6.143 4.806 ( 0.294 -11.178 0.000) 11.181 5.263 ( -24.314 -5.262 0.000) 24.877 5.345 ( 4.279 -14.953 0.000) 15.553 5.353 ( 5.277 -17.536 0.000) 18.312 5.510 ( -26.559 -3.738 0.000) 26.821 5.800 ( 1.391 2.268 0.000) 2.660 5.974 ( -2.019 5.771 0.000) 6.114 6.244 ( -6.525 9.740 0.000) 11.724 6.318 ( -6.907 6.618 0.000) 9.566 6.769 ( -5.411 2.044 0.000) 5.784 7.001 ( -18.008 1.651 0.000) 18.084 7.171 ( -2.167 7.973 0.000) 8.262 7.343 ( -1.237 -0.807 0.000) 1.477 7.347 ( -0.014 2.856 0.000) 2.856 7.422 ( -0.006 0.224 0.000) 0.224 7.536 ( 1.313 0.909 0.000) 1.597 7.559 ( 1.516 0.205 0.000) 1.530 7.703 ( -1.273 -3.770 0.000) 3.979 7.743 ( -3.400 0.863 0.000) 3.508 7.901 ( 5.952 -8.643 0.000) 10.494 7.904 ( -16.280 0.626 0.000) 16.292 8.112 ( -22.876 -1.208 0.000) 22.908 8.135 ( -2.568 -5.632 0.000) 6.189 8.277 ( -3.256 4.612 0.000) 5.646 8.356 ( -1.275 2.191 0.000) 2.535 8.437 ( 25.988 1.855 0.000) 26.054 8.539 ( -18.952 -1.238 0.000) 18.992 8.664 ( -0.843 -1.330 0.000) 1.575 8.803 ( -13.648 -4.299 0.000) 14.310 9.052 ( 21.972 0.313 0.000) 21.974 9.244 ( 33.101 0.268 0.000) 33.102 9.637 ( 1.617 -1.353 0.000) 2.108 10.012 ( 0.132 4.726 0.000) 4.728 10.122 ( -0.563 -2.088 0.000) 2.163 10.131 ( -1.639 5.294 0.000) 5.541 10.472 ( -3.070 0.782 0.000) 3.168 10.480 ( 2.047 7.829 0.000) 8.092 10.587 ( -2.513 -6.508 0.000) 6.977 10.716 ( 1.975 -6.025 0.000) 6.341 11.006 ( -5.641 2.744 0.000) 6.274 11.040 ( -0.178 8.541 0.000) 8.543 11.082 ( 4.204 -0.952 0.000) 4.310 11.270 ( 4.013 9.643 0.000) 10.445 11.367 ( 2.431 7.343 0.000) 7.735 11.427 ( -0.886 -1.522 0.000) 1.761 11.515 ( -3.214 -0.213 0.000) 3.221 11.604 ( 7.537 -1.779 0.000) 7.744 11.721 ( -10.395 -0.301 0.000) 10.399 11.786 ( 2.969 -2.312 0.000) 3.763 11.804 ( -2.212 1.817 0.000) 2.863 12.018 ( -3.951 8.277 0.000) 9.172 12.251 ( -0.609 -3.916 0.000) 3.964 12.365 ( 8.206 -0.956 0.000) 8.261 12.594 ( 6.394 -4.225 0.000) 7.664 12.665 ( -1.861 -4.114 0.000) 4.515 12.762 ( 2.466 0.433 0.000) 2.504 12.777 ( -8.065 1.270 0.000) 8.164 12.910 ( -2.799 -12.587 0.000) 12.894 13.189 ( -20.486 -3.076 0.000) 20.716 13.295 ( 16.470 -0.278 0.000) 16.472 13.752 ( -12.070 2.020 0.000) 12.238 13.782 ( 3.906 -0.216 0.000) 3.912 13.890 ( 11.549 -2.275 0.000) 11.771 14.264 ( 2.049 1.988 0.000) 2.855 ======================= Grid point 21 (15/84) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( 35.087 -6.684 0.000) 35.718 3.350 ( 34.318 -10.236 0.000) 35.812 3.848 ( -3.094 31.367 0.000) 31.519 3.981 ( 3.604 34.797 0.000) 34.983 4.560 ( -3.465 -6.080 0.000) 6.998 4.613 ( -1.264 -10.675 0.000) 10.749 4.834 ( -5.742 -9.390 0.000) 11.006 4.930 ( -3.045 -18.299 0.000) 18.550 5.032 ( -15.043 -9.142 0.000) 17.603 5.165 ( -25.047 -2.760 0.000) 25.199 5.203 ( 21.579 -22.114 0.000) 30.898 5.585 ( -1.930 -0.102 0.000) 1.933 5.638 ( 5.807 -10.953 0.000) 12.397 5.846 ( -2.552 6.442 0.000) 6.929 5.972 ( 6.605 -8.230 0.000) 10.553 6.012 ( -1.127 3.662 0.000) 3.831 6.126 ( -2.411 7.312 0.000) 7.700 6.378 ( -13.068 29.429 0.000) 32.200 6.789 ( -17.040 -4.129 0.000) 17.534 7.114 ( 0.572 1.035 0.000) 1.183 7.323 ( 2.200 1.642 0.000) 2.745 7.368 ( -1.526 -4.394 0.000) 4.652 7.401 ( 0.585 2.696 0.000) 2.759 7.550 ( -4.107 -2.008 0.000) 4.571 7.553 ( -7.127 0.858 0.000) 7.179 7.617 ( -8.424 -2.977 0.000) 8.935 7.682 ( -4.008 0.197 0.000) 4.013 7.769 ( -5.733 -1.129 0.000) 5.843 7.856 ( -15.850 1.005 0.000) 15.882 8.106 ( 5.368 -7.334 0.000) 9.089 8.224 ( 1.921 3.872 0.000) 4.323 8.230 ( 0.590 -6.044 0.000) 6.072 8.280 ( -5.278 0.851 0.000) 5.347 8.414 ( -5.715 1.601 0.000) 5.935 8.491 ( -2.790 2.187 0.000) 3.545 8.738 ( -9.636 -6.986 0.000) 11.902 8.907 ( 27.588 -1.583 0.000) 27.633 9.308 ( 20.246 0.948 0.000) 20.268 9.611 ( 21.128 1.182 0.000) 21.161 9.748 ( 12.587 -4.360 0.000) 13.321 9.930 ( -2.493 2.717 0.000) 3.687 9.992 ( -1.537 9.965 0.000) 10.083 10.150 ( 1.309 -1.649 0.000) 2.105 10.390 ( 1.511 6.193 0.000) 6.374 10.395 ( -8.880 -2.082 0.000) 9.121 10.680 ( -1.447 -5.760 0.000) 5.939 10.772 ( -1.330 1.130 0.000) 1.745 10.878 ( 1.010 11.629 0.000) 11.673 10.909 ( -2.544 0.875 0.000) 2.691 11.166 ( 2.699 7.290 0.000) 7.773 11.179 ( 8.603 -0.940 0.000) 8.654 11.315 ( 4.411 4.116 0.000) 6.033 11.434 ( 0.192 2.552 0.000) 2.560 11.471 ( -1.357 0.954 0.000) 1.659 11.553 ( -10.569 4.430 0.000) 11.460 11.646 ( -3.965 -0.211 0.000) 3.970 11.775 ( -6.432 1.401 0.000) 6.583 11.813 ( 1.118 -2.335 0.000) 2.589 11.974 ( 3.920 -4.329 0.000) 5.841 12.273 ( -8.353 -4.075 0.000) 9.294 12.461 ( 6.897 2.354 0.000) 7.288 12.612 ( -3.881 7.047 0.000) 8.045 12.681 ( 4.160 3.813 0.000) 5.643 12.695 ( -1.077 -2.919 0.000) 3.112 12.836 ( 4.623 -5.199 0.000) 6.957 13.046 ( -14.890 -7.135 0.000) 16.511 13.084 ( -5.033 -15.887 0.000) 16.666 13.465 ( 10.563 -0.052 0.000) 10.563 13.544 ( -13.943 3.476 0.000) 14.370 13.846 ( 4.509 -1.496 0.000) 4.751 14.069 ( 8.930 -3.954 0.000) 9.766 14.251 ( 2.415 3.620 0.000) 4.352 ======================= Grid point 22 (16/84) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( -4.142 35.996 0.000) 36.233 3.389 ( 0.742 38.088 0.000) 38.095 3.879 ( 31.204 -5.559 0.000) 31.695 3.948 ( 29.684 -8.324 0.000) 30.829 4.651 ( -1.310 -9.582 0.000) 9.671 4.651 ( -21.566 -4.687 0.000) 22.069 4.740 ( -27.977 -3.488 0.000) 28.194 4.859 ( -0.652 -3.801 0.000) 3.856 5.078 ( -7.444 -9.093 0.000) 11.752 5.259 ( -2.463 -17.868 0.000) 18.037 5.556 ( 0.059 0.875 0.000) 0.877 5.599 ( 2.652 5.146 0.000) 5.789 5.663 ( -8.224 32.092 0.000) 33.129 5.687 ( -2.244 8.689 0.000) 8.974 5.761 ( -4.498 14.301 0.000) 14.992 5.969 ( 17.450 -22.187 0.000) 28.227 6.189 ( 2.714 -12.405 0.000) 12.699 6.393 ( 6.388 -18.986 0.000) 20.032 6.751 ( -9.843 -13.412 0.000) 16.637 7.057 ( 0.584 7.636 0.000) 7.658 7.341 ( 1.689 1.063 0.000) 1.996 7.360 ( 1.727 4.231 0.000) 4.569 7.373 ( -7.736 4.161 0.000) 8.784 7.403 ( 0.101 1.213 0.000) 1.217 7.542 ( -4.969 -5.251 0.000) 7.230 7.610 ( -7.102 -3.008 0.000) 7.713 7.659 ( -3.367 -4.262 0.000) 5.431 7.698 ( -3.162 2.920 0.000) 4.304 7.782 ( -2.131 -5.928 0.000) 6.299 8.147 ( 1.669 8.176 0.000) 8.345 8.186 ( 1.315 3.168 0.000) 3.430 8.238 ( -3.871 -0.534 0.000) 3.907 8.307 ( -4.349 2.363 0.000) 4.949 8.352 ( 0.219 -9.883 0.000) 9.886 8.451 ( -1.768 -1.034 0.000) 2.049 8.794 ( -3.887 -11.042 0.000) 11.706 9.266 ( 26.236 -0.357 0.000) 26.238 9.504 ( 12.480 0.892 0.000) 12.512 9.704 ( 3.840 2.684 0.000) 4.685 9.797 ( -0.229 13.137 0.000) 13.139 9.880 ( -9.887 -3.592 0.000) 10.519 9.972 ( 5.901 -3.996 0.000) 7.127 10.263 ( 11.417 -3.666 0.000) 11.991 10.336 ( 1.360 2.988 0.000) 3.283 10.398 ( 1.711 -7.314 0.000) 7.511 10.612 ( 0.500 14.079 0.000) 14.088 10.689 ( -6.732 -2.856 0.000) 7.313 10.776 ( -2.965 3.057 0.000) 4.259 10.945 ( 4.228 -2.734 0.000) 5.035 11.108 ( 1.766 4.415 0.000) 4.755 11.310 ( -6.256 6.862 0.000) 9.285 11.317 ( 10.016 -1.113 0.000) 10.077 11.343 ( -3.444 8.873 0.000) 9.518 11.347 ( 4.467 -0.624 0.000) 4.510 11.470 ( 1.310 1.629 0.000) 2.090 11.541 ( -10.612 0.982 0.000) 10.658 11.734 ( -2.424 -3.238 0.000) 4.045 11.852 ( -0.020 -1.617 0.000) 1.617 12.109 ( -16.820 3.432 0.000) 17.167 12.123 ( 1.472 -8.817 0.000) 8.939 12.437 ( 0.137 4.260 0.000) 4.263 12.502 ( 2.951 8.384 0.000) 8.889 12.636 ( 2.319 5.727 0.000) 6.179 12.800 ( 4.340 -6.509 0.000) 7.823 12.935 ( 3.091 0.307 0.000) 3.106 13.036 ( -4.097 -6.775 0.000) 7.918 13.289 ( -2.847 -16.888 0.000) 17.127 13.317 ( -13.029 3.496 0.000) 13.490 13.565 ( 4.828 -0.818 0.000) 4.897 13.933 ( 3.158 -3.197 0.000) 4.494 14.202 ( 1.614 6.246 0.000) 6.451 14.220 ( 5.121 -3.913 0.000) 6.445 ======================= Grid point 23 (17/84) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 0.000 39.629 0.000) 39.629 2.762 ( 0.000 42.015 0.000) 42.015 4.195 ( -0.000 -0.574 0.000) 0.574 4.250 ( 0.000 31.459 0.000) 31.459 4.386 ( -0.000 -8.616 0.000) 8.616 4.547 ( -0.000 -3.900 0.000) 3.900 4.754 ( 0.000 11.262 0.000) 11.262 4.808 ( -0.000 -10.320 0.000) 10.320 5.088 ( 0.000 1.646 0.000) 1.646 5.265 ( 0.000 12.814 0.000) 12.814 5.299 ( -0.000 -2.576 0.000) 2.576 5.527 ( 0.000 12.374 0.000) 12.374 5.579 ( 0.000 3.622 0.000) 3.622 5.692 ( -0.000 -17.812 0.000) 17.812 5.763 ( -0.000 -19.302 0.000) 19.302 6.388 ( -0.000 -11.847 0.000) 11.847 6.463 ( -0.000 -23.458 0.000) 23.458 6.717 ( -0.000 -16.703 0.000) 16.703 6.898 ( 0.000 12.606 0.000) 12.606 6.939 ( -0.000 -15.094 0.000) 15.094 7.230 ( 0.000 5.273 0.000) 5.273 7.308 ( 0.000 8.618 0.000) 8.618 7.317 ( 0.000 5.473 0.000) 5.473 7.335 ( -0.000 -0.150 0.000) 0.150 7.587 ( 0.000 8.069 0.000) 8.069 7.589 ( -0.000 -3.362 0.000) 3.362 7.635 ( -0.000 -6.187 0.000) 6.187 7.739 ( -0.000 -8.058 0.000) 8.058 7.875 ( -0.000 -5.262 0.000) 5.262 8.032 ( 0.000 7.787 0.000) 7.787 8.126 ( 0.000 3.651 0.000) 3.651 8.144 ( 0.000 7.008 0.000) 7.008 8.297 ( -0.000 -3.175 0.000) 3.175 8.443 ( 0.000 0.955 0.000) 0.955 8.502 ( -0.000 -8.034 0.000) 8.034 8.981 ( -0.000 -16.011 0.000) 16.011 9.485 ( -0.000 -0.745 0.000) 0.745 9.569 ( 0.000 0.494 0.000) 0.494 9.593 ( 0.000 13.104 0.000) 13.104 9.722 ( -0.000 -2.895 0.000) 2.895 9.791 ( -0.000 -0.953 0.000) 0.953 10.088 ( -0.000 -7.105 0.000) 7.105 10.325 ( 0.000 0.054 0.000) 0.054 10.420 ( 0.000 10.814 0.000) 10.814 10.440 ( -0.000 -7.205 0.000) 7.205 10.625 ( -0.000 -9.952 0.000) 9.952 10.633 ( -0.000 -1.506 0.000) 1.506 10.685 ( 0.000 4.858 0.000) 4.858 11.033 ( -0.000 -3.003 0.000) 3.003 11.059 ( 0.000 3.768 0.000) 3.768 11.161 ( 0.000 6.455 0.000) 6.455 11.179 ( 0.000 8.690 0.000) 8.690 11.406 ( 0.000 1.450 0.000) 1.450 11.412 ( -0.000 -0.233 0.000) 0.233 11.444 ( -0.000 -5.808 0.000) 5.808 11.447 ( 0.000 2.433 0.000) 2.433 11.782 ( -0.000 -4.219 0.000) 4.219 11.865 ( 0.000 7.721 0.000) 7.721 11.889 ( -0.000 -1.674 0.000) 1.674 12.221 ( -0.000 -0.180 0.000) 0.180 12.363 ( 0.000 5.173 0.000) 5.173 12.374 ( 0.000 10.042 0.000) 10.042 12.608 ( -0.000 -2.254 0.000) 2.254 12.907 ( 0.000 5.135 0.000) 5.135 12.949 ( -0.000 -6.156 0.000) 6.156 13.133 ( -0.000 -5.127 0.000) 5.127 13.149 ( 0.000 2.559 0.000) 2.559 13.515 ( -0.000 -13.721 0.000) 13.721 13.615 ( -0.000 -1.673 0.000) 1.673 14.012 ( -0.000 -4.077 0.000) 4.077 14.091 ( 0.000 9.276 0.000) 9.276 14.307 ( -0.000 -2.741 0.000) 2.741 ======================= Grid point 28 (18/84) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 38.950 0.000 0.000) 38.950 3.180 ( 37.353 0.000 0.000) 37.353 4.392 ( -2.395 -0.000 0.000) 2.395 4.496 ( 12.980 0.000 0.000) 12.980 4.497 ( -7.413 -0.000 0.000) 7.413 4.663 ( -3.003 -0.000 0.000) 3.003 4.673 ( -5.842 -0.000 0.000) 5.842 4.679 ( 30.093 0.000 0.000) 30.093 4.919 ( -22.176 -0.000 0.000) 22.176 4.932 ( 10.320 0.000 0.000) 10.320 5.121 ( -29.654 -0.000 0.000) 29.654 5.124 ( 0.109 0.000 0.000) 0.109 5.234 ( 4.698 0.000 0.000) 4.698 5.825 ( 0.233 0.000 0.000) 0.233 6.000 ( -1.615 -0.000 0.000) 1.615 6.250 ( -5.557 -0.000 0.000) 5.557 6.292 ( -4.981 -0.000 0.000) 4.981 6.734 ( -2.119 -0.000 0.000) 2.119 6.738 ( -24.245 -0.000 0.000) 24.245 7.206 ( -3.532 -0.000 0.000) 3.532 7.238 ( -10.163 -0.000 0.000) 10.163 7.365 ( -0.188 -0.000 0.000) 0.188 7.394 ( -1.224 -0.000 0.000) 1.224 7.540 ( -2.576 -0.000 0.000) 2.576 7.541 ( -19.054 -0.000 0.000) 19.054 7.654 ( 4.878 0.000 0.000) 4.878 7.757 ( -3.320 -0.000 0.000) 3.320 7.763 ( -0.958 -0.000 0.000) 0.958 7.825 ( 2.381 0.000 0.000) 2.381 7.914 ( -9.397 -0.000 0.000) 9.397 8.143 ( 7.132 0.000 0.000) 7.132 8.219 ( -18.934 -0.000 0.000) 18.934 8.355 ( 4.527 0.000 0.000) 4.527 8.391 ( 0.680 0.000 0.000) 0.680 8.567 ( -7.126 -0.000 0.000) 7.126 8.663 ( -7.884 -0.000 0.000) 7.884 8.835 ( 29.595 0.000 0.000) 29.595 9.323 ( 20.231 0.000 0.000) 20.231 9.634 ( 1.797 0.000 0.000) 1.797 9.649 ( 29.942 0.000 0.000) 29.942 10.080 ( 1.955 0.000 0.000) 1.955 10.094 ( -0.232 -0.000 0.000) 0.232 10.155 ( -1.363 -0.000 0.000) 1.363 10.343 ( -15.666 -0.000 0.000) 15.666 10.562 ( 4.385 0.000 0.000) 4.385 10.628 ( 0.942 0.000 0.000) 0.942 10.630 ( 2.435 0.000 0.000) 2.435 10.928 ( -7.129 -0.000 0.000) 7.129 11.080 ( -2.867 -0.000 0.000) 2.867 11.157 ( 7.378 0.000 0.000) 7.378 11.374 ( -3.143 -0.000 0.000) 3.143 11.429 ( 5.646 0.000 0.000) 5.646 11.431 ( 0.420 0.000 0.000) 0.420 11.532 ( 3.359 0.000 0.000) 3.359 11.561 ( -11.506 -0.000 0.000) 11.506 11.648 ( -2.875 -0.000 0.000) 2.875 11.757 ( -1.998 -0.000 0.000) 1.998 11.799 ( 0.128 0.000 0.000) 0.128 12.049 ( -3.404 -0.000 0.000) 3.404 12.223 ( 1.924 0.000 0.000) 1.924 12.518 ( 10.799 0.000 0.000) 10.799 12.552 ( -1.624 -0.000 0.000) 1.624 12.581 ( -2.905 -0.000 0.000) 2.905 12.760 ( 0.050 0.000 0.000) 0.050 12.796 ( 1.770 0.000 0.000) 1.770 12.805 ( 1.365 0.000 0.000) 1.365 12.903 ( -19.756 -0.000 0.000) 19.756 13.474 ( 11.912 0.000 0.000) 11.912 13.605 ( -13.788 -0.000 0.000) 13.788 13.827 ( 3.441 0.000 0.000) 3.441 13.994 ( 8.392 0.000 0.000) 8.392 14.302 ( 1.684 0.000 0.000) 1.684 ======================= Grid point 29 (19/84) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.653 ( 33.858 -3.291 0.000) 34.017 3.672 ( 33.909 -4.279 0.000) 34.178 4.260 ( -7.387 22.424 0.000) 23.610 4.392 ( -7.625 -3.387 0.000) 8.343 4.454 ( -2.667 -0.991 0.000) 2.845 4.578 ( 3.413 26.112 0.000) 26.334 4.626 ( -22.843 -1.400 0.000) 22.886 4.682 ( -3.205 -1.149 0.000) 3.405 4.695 ( 0.381 -10.772 0.000) 10.779 4.796 ( -22.504 -3.401 0.000) 22.759 5.263 ( 22.339 -17.119 0.000) 28.144 5.470 ( 1.677 -17.291 0.000) 17.372 5.476 ( 10.751 -13.761 0.000) 17.463 5.851 ( 1.287 -6.057 0.000) 6.192 5.933 ( -1.035 6.123 0.000) 6.210 6.122 ( -2.819 8.740 0.000) 9.183 6.200 ( -2.425 5.557 0.000) 6.063 6.462 ( -22.367 -4.564 0.000) 22.828 6.623 ( -3.846 14.336 0.000) 14.843 7.134 ( -0.362 1.618 0.000) 1.658 7.185 ( -6.319 -7.284 0.000) 9.643 7.342 ( -8.042 -2.296 0.000) 8.363 7.370 ( -4.620 -0.345 0.000) 4.633 7.402 ( -0.343 -2.282 0.000) 2.308 7.534 ( -0.594 -2.582 0.000) 2.650 7.616 ( 1.629 9.360 0.000) 9.501 7.692 ( -5.896 3.773 0.000) 7.000 7.696 ( -0.210 2.573 0.000) 2.581 7.836 ( -0.145 1.938 0.000) 1.943 7.990 ( 1.649 -11.430 0.000) 11.549 8.087 ( -8.624 -5.254 0.000) 10.098 8.250 ( 7.572 -1.060 0.000) 7.645 8.359 ( 1.981 4.386 0.000) 4.813 8.420 ( 1.872 0.950 0.000) 2.099 8.453 ( -7.498 2.353 0.000) 7.859 8.589 ( -5.180 -2.317 0.000) 5.675 9.192 ( 21.739 -3.887 0.000) 22.084 9.530 ( 12.601 0.438 0.000) 12.609 9.697 ( 6.153 -1.233 0.000) 6.276 9.917 ( 8.752 1.917 0.000) 8.960 10.008 ( -2.271 6.762 0.000) 7.133 10.099 ( -0.751 5.357 0.000) 5.410 10.123 ( -2.557 -3.353 0.000) 4.217 10.227 ( -1.992 -5.550 0.000) 5.897 10.517 ( 0.957 8.236 0.000) 8.291 10.616 ( 0.386 -1.456 0.000) 1.507 10.746 ( 1.313 -4.129 0.000) 4.333 10.873 ( -2.076 -1.526 0.000) 2.576 11.007 ( -2.756 4.893 0.000) 5.616 11.268 ( 9.127 -1.198 0.000) 9.205 11.318 ( 0.482 7.226 0.000) 7.242 11.401 ( 0.748 3.222 0.000) 3.308 11.421 ( -4.043 -1.418 0.000) 4.284 11.457 ( -1.299 2.484 0.000) 2.803 11.562 ( 3.861 3.227 0.000) 5.032 11.566 ( -9.749 -1.101 0.000) 9.811 11.734 ( -6.448 3.605 0.000) 7.387 11.778 ( 0.202 -2.028 0.000) 2.038 11.998 ( 1.249 1.580 0.000) 2.014 12.232 ( 1.473 3.964 0.000) 4.229 12.507 ( -7.384 0.480 0.000) 7.399 12.597 ( 4.051 -0.158 0.000) 4.054 12.669 ( 0.297 -14.788 0.000) 14.791 12.750 ( -7.834 -1.213 0.000) 7.928 12.792 ( 0.236 1.609 0.000) 1.626 12.822 ( 6.126 -2.827 0.000) 6.746 12.870 ( 0.129 -5.143 0.000) 5.145 13.422 ( -12.016 2.258 0.000) 12.226 13.579 ( 5.862 0.839 0.000) 5.922 13.869 ( 2.240 -0.963 0.000) 2.438 14.098 ( 4.519 -2.847 0.000) 5.342 14.309 ( 1.095 1.311 0.000) 1.708 ======================= Grid point 30 (20/84) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.724 ( 0.000 32.272 0.000) 32.272 3.924 ( 0.000 21.643 0.000) 21.643 4.086 ( -0.000 -6.422 0.000) 6.422 4.198 ( 0.000 8.121 0.000) 8.121 4.321 ( -0.000 -4.489 0.000) 4.489 4.398 ( -0.000 -2.653 0.000) 2.653 4.521 ( -0.000 -6.295 0.000) 6.295 4.751 ( -0.000 -7.515 0.000) 7.515 4.824 ( -0.000 -14.049 0.000) 14.049 4.942 ( -0.000 -19.212 0.000) 19.212 5.562 ( 0.000 1.250 0.000) 1.250 5.635 ( -0.000 -9.773 0.000) 9.773 5.778 ( -0.000 -3.906 0.000) 3.906 5.827 ( -0.000 -3.297 0.000) 3.297 5.935 ( 0.000 12.418 0.000) 12.418 6.104 ( 0.000 2.116 0.000) 2.116 6.107 ( -0.000 -20.963 0.000) 20.963 6.196 ( 0.000 34.272 0.000) 34.272 6.440 ( -0.000 -12.984 0.000) 12.984 7.144 ( 0.000 1.019 0.000) 1.019 7.296 ( -0.000 -10.770 0.000) 10.770 7.329 ( -0.000 -3.060 0.000) 3.060 7.357 ( -0.000 -0.267 0.000) 0.267 7.449 ( -0.000 -3.243 0.000) 3.243 7.477 ( 0.000 8.326 0.000) 8.326 7.529 ( 0.000 3.052 0.000) 3.052 7.648 ( 0.000 3.149 0.000) 3.149 7.649 ( -0.000 -6.022 0.000) 6.022 7.789 ( 0.000 4.724 0.000) 4.724 8.131 ( -0.000 -6.180 0.000) 6.180 8.181 ( -0.000 -11.533 0.000) 11.533 8.282 ( 0.000 7.174 0.000) 7.174 8.286 ( 0.000 6.125 0.000) 6.125 8.369 ( 0.000 5.450 0.000) 5.450 8.388 ( -0.000 -4.074 0.000) 4.074 8.636 ( -0.000 -6.883 0.000) 6.883 9.443 ( -0.000 -5.741 0.000) 5.741 9.600 ( 0.000 0.990 0.000) 0.990 9.754 ( 0.000 1.870 0.000) 1.870 9.784 ( 0.000 5.414 0.000) 5.414 9.977 ( 0.000 9.713 0.000) 9.713 9.981 ( 0.000 0.122 0.000) 0.122 10.175 ( -0.000 -7.626 0.000) 7.626 10.369 ( -0.000 -6.817 0.000) 6.817 10.411 ( 0.000 5.928 0.000) 5.928 10.612 ( -0.000 -0.047 0.000) 0.047 10.783 ( 0.000 0.484 0.000) 0.484 10.846 ( 0.000 13.059 0.000) 13.059 10.917 ( -0.000 -3.973 0.000) 3.973 11.197 ( 0.000 6.894 0.000) 6.894 11.356 ( -0.000 -0.732 0.000) 0.732 11.356 ( 0.000 5.790 0.000) 5.790 11.431 ( 0.000 0.564 0.000) 0.564 11.441 ( 0.000 0.482 0.000) 0.482 11.450 ( -0.000 -0.387 0.000) 0.387 11.505 ( 0.000 7.239 0.000) 7.239 11.667 ( -0.000 -2.395 0.000) 2.395 11.815 ( -0.000 -2.674 0.000) 2.674 12.027 ( -0.000 -4.046 0.000) 4.046 12.113 ( 0.000 8.635 0.000) 8.635 12.473 ( 0.000 0.361 0.000) 0.361 12.639 ( 0.000 4.783 0.000) 4.783 12.702 ( -0.000 -5.256 0.000) 5.256 12.734 ( 0.000 4.809 0.000) 4.809 12.934 ( -0.000 -3.247 0.000) 3.247 12.941 ( -0.000 -5.821 0.000) 5.821 12.971 ( -0.000 -20.194 0.000) 20.194 13.280 ( 0.000 4.206 0.000) 4.206 13.599 ( 0.000 0.848 0.000) 0.848 13.909 ( -0.000 -2.254 0.000) 2.254 14.185 ( -0.000 -4.382 0.000) 4.382 14.283 ( 0.000 3.187 0.000) 3.187 ======================= Grid point 38 (21/84) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.935 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 4.175 ( 0.000 0.000 0.000) 0.000 4.242 ( -0.000 -0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.529 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.229 ( 0.000 0.000 0.000) 0.000 6.230 ( 0.000 0.000 0.000) 0.000 6.708 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.152 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 7.708 ( 0.000 0.000 0.000) 0.000 7.714 ( 0.000 0.000 0.000) 0.000 7.765 ( 0.000 0.000 0.000) 0.000 7.850 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 7.975 ( 0.000 0.000 0.000) 0.000 8.305 ( 0.000 0.000 0.000) 0.000 8.406 ( 0.000 0.000 0.000) 0.000 8.412 ( -0.000 -0.000 0.000) 0.000 8.462 ( -0.000 -0.000 0.000) 0.000 8.521 ( 0.000 0.000 0.000) 0.000 9.287 ( 0.000 0.000 0.000) 0.000 9.614 ( 0.000 0.000 0.000) 0.000 9.836 ( 0.000 0.000 0.000) 0.000 9.890 ( -0.000 -0.000 0.000) 0.000 9.989 ( -0.000 -0.000 0.000) 0.000 10.091 ( 0.000 0.000 0.000) 0.000 10.136 ( 0.000 0.000 0.000) 0.000 10.213 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 10.637 ( 0.000 0.000 0.000) 0.000 10.679 ( 0.000 0.000 0.000) 0.000 10.839 ( 0.000 0.000 0.000) 0.000 11.015 ( 0.000 0.000 0.000) 0.000 11.351 ( 0.000 0.000 0.000) 0.000 11.358 ( 0.000 0.000 0.000) 0.000 11.374 ( -0.000 -0.000 0.000) 0.000 11.438 ( 0.000 0.000 0.000) 0.000 11.444 ( -0.000 -0.000 0.000) 0.000 11.484 ( 0.000 0.000 0.000) 0.000 11.673 ( -0.000 -0.000 0.000) 0.000 11.708 ( 0.000 0.000 0.000) 0.000 11.763 ( 0.000 0.000 0.000) 0.000 12.018 ( 0.000 0.000 0.000) 0.000 12.326 ( 0.000 0.000 0.000) 0.000 12.425 ( -0.000 -0.000 0.000) 0.000 12.511 ( 0.000 0.000 0.000) 0.000 12.600 ( 0.000 0.000 0.000) 0.000 12.667 ( 0.000 0.000 0.000) 0.000 12.819 ( 0.000 0.000 0.000) 0.000 12.833 ( 0.000 0.000 0.000) 0.000 12.891 ( 0.000 0.000 0.000) 0.000 13.354 ( -0.000 -0.000 0.000) 0.000 13.624 ( 0.000 0.000 0.000) 0.000 13.874 ( 0.000 0.000 0.000) 0.000 14.102 ( 0.000 0.000 0.000) 0.000 14.325 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 67 (22/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 0.000 0.000 42.730) 42.730 0.928 ( 0.000 0.000 45.103) 45.103 1.586 ( 0.000 0.000 76.107) 76.107 4.036 ( 0.000 0.000 -30.662) 30.662 4.277 ( 0.000 0.000 10.037) 10.037 4.293 ( 0.000 0.000 -34.499) 34.499 4.866 ( 0.000 0.000 5.490) 5.490 4.885 ( 0.000 0.000 15.210) 15.210 4.888 ( 0.000 0.000 13.916) 13.916 5.347 ( 0.000 0.000 15.293) 15.293 5.428 ( 0.000 0.000 10.905) 10.905 5.854 ( 0.000 0.000 3.754) 3.754 6.024 ( 0.000 0.000 -8.418) 8.418 6.063 ( 0.000 0.000 -8.981) 8.981 6.308 ( 0.000 0.000 -21.830) 21.830 6.729 ( 0.000 0.000 -13.735) 13.735 6.752 ( 0.000 0.000 6.389) 6.389 6.847 ( 0.000 0.000 -15.422) 15.422 6.892 ( 0.000 0.000 4.320) 4.320 7.033 ( 0.000 0.000 -7.299) 7.299 7.187 ( 0.000 0.000 -0.216) 0.216 7.200 ( 0.000 0.000 1.771) 1.771 7.307 ( 0.000 0.000 6.719) 6.719 7.407 ( 0.000 0.000 -0.625) 0.625 7.478 ( 0.000 0.000 -3.973) 3.973 7.588 ( 0.000 0.000 6.730) 6.730 7.664 ( 0.000 0.000 2.628) 2.628 7.678 ( 0.000 0.000 1.057) 1.057 7.718 ( 0.000 0.000 8.364) 8.364 7.940 ( 0.000 0.000 7.440) 7.440 8.004 ( 0.000 0.000 2.494) 2.494 8.206 ( 0.000 0.000 4.220) 4.220 8.420 ( 0.000 0.000 -0.458) 0.458 8.436 ( 0.000 0.000 -4.620) 4.620 8.878 ( 0.000 0.000 -1.045) 1.045 9.160 ( 0.000 0.000 1.854) 1.854 9.485 ( 0.000 0.000 -14.161) 14.161 9.543 ( 0.000 0.000 0.669) 0.669 9.681 ( 0.000 0.000 -6.015) 6.015 9.980 ( 0.000 0.000 -5.121) 5.121 10.011 ( 0.000 0.000 -11.268) 11.268 10.190 ( 0.000 0.000 3.946) 3.946 10.350 ( 0.000 0.000 -1.103) 1.103 10.362 ( 0.000 0.000 -3.370) 3.370 10.537 ( 0.000 0.000 5.268) 5.268 10.661 ( 0.000 0.000 -5.553) 5.553 10.786 ( 0.000 0.000 4.257) 4.257 10.856 ( 0.000 0.000 5.170) 5.170 10.881 ( 0.000 0.000 0.637) 0.637 10.998 ( 0.000 0.000 -0.758) 0.758 11.034 ( 0.000 0.000 -0.680) 0.680 11.121 ( 0.000 0.000 6.112) 6.112 11.324 ( 0.000 0.000 8.965) 8.965 11.461 ( 0.000 0.000 3.814) 3.814 11.533 ( 0.000 0.000 6.385) 6.385 11.659 ( 0.000 0.000 1.073) 1.073 11.845 ( 0.000 0.000 2.622) 2.622 11.900 ( 0.000 0.000 -3.410) 3.410 11.986 ( 0.000 0.000 -3.421) 3.421 12.008 ( 0.000 0.000 1.672) 1.672 12.042 ( 0.000 0.000 2.065) 2.065 12.409 ( 0.000 0.000 -0.468) 0.468 12.425 ( 0.000 0.000 -2.856) 2.856 12.491 ( 0.000 0.000 -11.016) 11.016 12.858 ( 0.000 0.000 4.475) 4.475 13.055 ( 0.000 0.000 -5.347) 5.347 13.290 ( 0.000 0.000 2.238) 2.238 13.802 ( 0.000 0.000 1.574) 1.574 13.840 ( 0.000 0.000 -4.104) 4.104 13.874 ( 0.000 0.000 1.981) 1.981 13.972 ( 0.000 0.000 3.289) 3.289 14.338 ( 0.000 0.000 -2.467) 2.467 ======================= Grid point 68 (23/84) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 14.794 -23.856 32.275) 42.774 1.323 ( 20.061 -24.552 32.558) 45.445 2.127 ( 28.555 -39.868 52.749) 72.023 4.089 ( 0.661 -5.745 -28.412) 28.994 4.281 ( 1.177 2.178 5.612) 6.134 4.324 ( 0.955 -3.585 -29.969) 30.198 4.797 ( -6.256 6.367 14.274) 16.835 4.882 ( 2.838 -0.847 3.978) 4.960 4.965 ( 6.232 -4.845 15.298) 17.215 5.355 ( -1.321 -1.371 15.321) 15.439 5.411 ( 0.748 1.821 9.130) 9.339 5.808 ( -2.225 3.638 3.987) 5.838 5.872 ( -1.426 10.174 -6.048) 11.921 6.161 ( -6.024 -9.312 -7.497) 13.387 6.293 ( 1.705 5.306 -17.644) 18.503 6.611 ( -5.542 8.502 -9.745) 14.070 6.647 ( -9.511 2.317 1.084) 9.849 6.850 ( -4.700 -5.960 -4.163) 8.657 6.914 ( 3.494 3.017 -8.091) 9.315 7.091 ( 5.735 -0.146 -5.771) 8.137 7.184 ( 4.644 2.002 0.846) 5.127 7.206 ( 1.160 1.128 0.905) 1.854 7.297 ( 3.302 9.767 -0.352) 10.316 7.316 ( 6.005 3.087 3.415) 7.567 7.565 ( -1.659 0.188 1.480) 2.231 7.617 ( 3.150 -4.885 0.705) 5.855 7.673 ( -0.218 -1.531 0.454) 1.612 7.685 ( -1.410 -3.809 3.111) 5.117 7.793 ( 4.101 -5.207 5.035) 8.323 7.969 ( 0.960 -2.590 6.996) 7.521 8.035 ( 4.431 -0.176 1.893) 4.821 8.223 ( 5.604 2.617 3.483) 7.098 8.427 ( 1.166 1.239 -2.574) 3.085 8.498 ( 10.109 2.173 -3.189) 10.821 8.760 ( -0.690 8.992 3.215) 9.574 9.120 ( -11.175 -4.198 2.990) 12.307 9.337 ( -15.777 -1.436 -6.663) 17.186 9.583 ( -1.874 3.846 -5.755) 7.171 9.754 ( 8.799 8.117 -10.029) 15.617 9.842 ( -1.437 5.087 -10.545) 11.796 10.058 ( -9.300 -7.098 -4.976) 12.714 10.147 ( -13.053 4.063 0.422) 13.677 10.202 ( -3.693 1.183 1.519) 4.165 10.334 ( -0.644 3.568 -3.553) 5.077 10.505 ( -1.135 6.700 2.182) 7.137 10.602 ( -20.832 -1.028 -0.345) 20.860 10.669 ( 5.604 -0.478 6.012) 8.233 10.817 ( 5.063 2.630 -1.341) 5.861 10.890 ( 1.940 -2.303 0.718) 3.096 11.005 ( 0.736 4.058 1.092) 4.267 11.069 ( 5.544 1.738 0.686) 5.850 11.194 ( 3.753 -0.187 3.168) 4.915 11.353 ( 0.808 -0.551 4.225) 4.337 11.476 ( 2.403 -1.737 4.098) 5.058 11.636 ( 0.559 0.537 2.210) 2.342 11.791 ( 10.253 -2.729 4.094) 11.373 11.824 ( 8.273 2.676 -2.611) 9.078 11.854 ( -1.821 -0.550 1.164) 2.230 11.935 ( 4.088 2.612 -0.264) 4.858 12.071 ( 0.630 -2.996 1.715) 3.509 12.104 ( 4.462 6.804 4.782) 9.438 12.198 ( 4.603 0.653 1.345) 4.840 12.528 ( -2.093 -9.630 -3.885) 10.592 12.705 ( -0.936 -11.145 -7.812) 13.643 12.938 ( 1.009 -7.462 0.755) 7.568 12.979 ( -4.111 4.125 -3.027) 6.563 13.316 ( 5.327 0.589 1.817) 5.660 13.656 ( -16.316 -2.017 11.311) 19.956 13.795 ( -2.838 -0.701 1.894) 3.484 13.847 ( 2.180 3.267 -3.841) 5.494 13.998 ( -8.770 -4.978 -0.224) 10.086 14.303 ( -2.728 2.041 -2.721) 4.360 ======================= Grid point 69 (24/84) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 18.698 -29.335 20.909) 40.588 2.003 ( 22.971 -27.411 25.601) 43.982 3.247 ( 33.577 -47.911 27.359) 64.587 4.092 ( -5.651 9.607 2.103) 11.343 4.292 ( 0.404 -8.870 -20.307) 22.164 4.443 ( 2.506 -8.953 -25.269) 26.925 4.533 ( -10.276 12.115 13.024) 20.542 4.994 ( 7.415 -2.967 1.481) 8.123 5.183 ( 10.234 -9.453 15.146) 20.579 5.296 ( 0.181 5.901 7.317) 9.402 5.453 ( 2.721 -2.953 6.868) 7.956 5.701 ( -0.212 6.641 -1.155) 6.744 5.736 ( -2.632 3.448 6.467) 7.787 6.086 ( -5.507 11.232 -8.957) 15.385 6.223 ( -11.769 -7.765 -5.069) 14.983 6.375 ( -9.913 9.112 0.182) 13.466 6.502 ( -4.830 8.062 0.272) 9.402 6.839 ( -2.394 -4.518 -7.919) 9.426 6.945 ( -1.454 6.304 -9.127) 11.187 7.101 ( 3.604 0.806 -7.988) 8.801 7.144 ( 2.066 6.854 -0.309) 7.165 7.227 ( -0.160 3.979 -0.261) 3.991 7.277 ( 4.055 2.499 -2.177) 5.237 7.372 ( 17.330 0.458 1.397) 17.392 7.503 ( -1.244 2.732 2.185) 3.713 7.693 ( 3.480 0.134 -0.268) 3.493 7.742 ( -1.720 -6.222 1.194) 6.564 7.768 ( 5.701 -3.558 -2.298) 7.102 7.930 ( 3.415 -4.056 -0.038) 5.302 8.036 ( 1.753 -4.234 5.995) 7.545 8.105 ( 6.586 0.249 0.664) 6.624 8.257 ( 6.896 2.321 1.624) 7.455 8.467 ( 8.181 0.605 2.838) 8.680 8.538 ( 0.069 2.179 -1.773) 2.810 8.643 ( 1.651 6.360 1.155) 6.672 9.016 ( -19.287 -6.267 3.020) 20.504 9.098 ( -20.219 3.495 0.218) 20.520 9.468 ( 3.111 8.775 -4.171) 10.202 9.563 ( -18.344 3.408 -3.929) 19.067 9.800 ( 5.059 8.230 -7.032) 11.949 9.856 ( -23.674 -0.943 -2.203) 23.795 10.006 ( -13.965 -5.952 -4.454) 15.820 10.169 ( 0.496 2.399 -1.890) 3.094 10.300 ( 0.899 1.776 -2.258) 3.010 10.356 ( 0.331 7.328 4.464) 8.587 10.508 ( 0.296 -1.907 -3.612) 4.095 10.756 ( 3.117 0.964 1.668) 3.664 10.802 ( 0.329 1.627 -1.292) 2.103 10.892 ( 0.734 5.699 -1.758) 6.009 11.032 ( 4.690 -1.553 0.466) 4.962 11.118 ( 1.577 2.747 0.393) 3.192 11.199 ( 6.833 -1.291 0.971) 7.022 11.343 ( 0.286 1.652 2.371) 2.904 11.515 ( 0.418 2.560 3.709) 4.526 11.578 ( -1.681 4.491 4.885) 6.845 11.764 ( 1.683 2.984 -3.494) 4.893 11.804 ( -0.221 -1.762 -0.791) 1.944 11.937 ( 1.041 1.065 -0.284) 1.516 12.053 ( -1.175 -6.243 7.112) 9.536 12.109 ( 1.074 -3.962 2.638) 4.879 12.238 ( 19.644 -3.509 2.793) 20.149 12.383 ( 14.219 -2.899 2.078) 14.659 12.630 ( -3.965 -7.797 -0.780) 8.782 12.749 ( -4.094 3.210 -4.122) 6.637 12.860 ( -0.864 0.161 1.523) 1.759 13.119 ( 3.841 -8.531 -2.982) 9.820 13.405 ( 6.925 -0.486 -0.250) 6.947 13.532 ( -11.019 -3.034 7.257) 13.538 13.783 ( -3.842 -4.068 0.848) 5.659 13.815 ( 1.243 4.059 -2.172) 4.769 13.924 ( -10.689 -1.842 -0.848) 10.880 14.214 ( -5.062 2.854 -3.159) 6.615 ======================= Grid point 70 (25/84) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 18.394 -28.987 14.677) 37.337 2.716 ( 22.989 -27.060 20.544) 41.022 3.735 ( -12.473 19.754 8.675) 24.921 3.928 ( -9.909 11.371 15.732) 21.794 4.465 ( 3.578 -14.023 -13.723) 19.944 4.553 ( 20.863 -31.978 7.608) 38.933 4.719 ( 6.012 -17.122 -22.377) 28.810 4.958 ( -3.759 9.211 0.194) 9.950 5.334 ( 6.169 0.630 -6.121) 8.713 5.451 ( 6.726 -7.022 4.202) 10.593 5.526 ( 11.204 0.232 7.672) 13.581 5.629 ( 0.517 1.354 2.399) 2.802 5.700 ( 0.197 3.059 2.401) 3.894 5.893 ( -2.475 0.149 6.347) 6.814 6.089 ( -14.374 6.344 1.320) 15.767 6.156 ( -8.836 1.847 2.185) 9.288 6.255 ( -10.471 12.034 4.744) 16.643 6.571 ( -12.806 22.713 4.698) 26.494 6.932 ( 2.942 -3.994 -12.099) 13.076 7.067 ( -1.280 2.811 -0.756) 3.180 7.143 ( 0.757 3.007 -6.427) 7.136 7.221 ( 4.755 -1.877 -9.439) 10.734 7.289 ( 1.586 -0.725 -3.965) 4.332 7.448 ( -0.548 2.996 -2.387) 3.870 7.654 ( 20.282 -1.856 -0.221) 20.367 7.731 ( 3.437 0.385 -0.668) 3.523 7.804 ( 0.225 -4.205 1.572) 4.495 7.889 ( 6.786 -1.537 -3.578) 7.824 7.957 ( 0.207 1.581 -2.765) 3.192 8.160 ( 2.898 -5.673 1.914) 6.652 8.197 ( 5.811 -2.190 1.391) 6.364 8.344 ( 8.986 0.352 1.480) 9.114 8.428 ( -11.098 0.806 -0.771) 11.154 8.566 ( 5.175 3.950 -0.204) 6.513 8.596 ( 6.365 3.517 3.877) 8.241 8.755 ( -15.126 6.982 3.341) 16.991 8.878 ( -14.165 -3.083 0.891) 14.524 9.225 ( -32.411 -3.145 4.793) 32.914 9.436 ( 11.285 7.591 -1.892) 13.732 9.636 ( -19.905 -4.930 -2.674) 20.680 9.759 ( 7.792 5.414 -0.710) 9.515 9.918 ( -9.623 -1.698 -3.822) 10.492 10.163 ( -0.295 -0.900 -2.593) 2.760 10.235 ( 1.466 5.881 5.149) 7.953 10.351 ( 2.094 -1.992 -5.482) 6.197 10.540 ( 2.602 4.566 -2.126) 5.669 10.719 ( 2.317 2.035 -3.762) 4.864 10.807 ( 0.049 0.509 -3.171) 3.212 10.844 ( -0.639 -0.354 -3.152) 3.236 10.987 ( -3.799 4.639 -0.563) 6.022 11.127 ( 1.321 -2.982 -1.029) 3.420 11.324 ( 2.066 -1.090 5.664) 6.127 11.374 ( 1.817 8.783 -2.750) 9.382 11.425 ( 6.701 -0.410 2.127) 7.042 11.528 ( 0.932 -1.245 6.152) 6.345 11.768 ( -0.037 -0.358 -0.742) 0.824 11.853 ( 2.098 -0.396 0.196) 2.144 11.921 ( -0.715 2.121 0.080) 2.240 12.088 ( -4.444 -7.851 0.383) 9.030 12.241 ( 1.289 -7.430 6.142) 9.725 12.438 ( 7.092 0.374 3.748) 8.030 12.475 ( -2.481 5.844 -5.357) 8.307 12.693 ( 14.408 2.056 3.806) 15.043 12.733 ( -5.057 -7.277 1.596) 9.004 12.894 ( 7.376 -0.563 4.407) 8.610 13.266 ( -4.860 -4.022 -2.066) 6.638 13.379 ( -1.653 -2.083 1.963) 3.305 13.573 ( 10.043 0.464 -0.670) 10.076 13.721 ( -7.407 3.683 -0.277) 8.276 13.811 ( -6.442 1.248 -2.150) 6.905 13.850 ( -2.133 -8.031 -0.985) 8.367 14.098 ( -4.927 3.899 -3.338) 7.115 ======================= Grid point 71 (26/84) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( 15.203 -25.259 10.957) 31.452 3.196 ( -15.203 25.259 10.957) 31.452 3.396 ( 19.175 -24.063 17.570) 35.432 3.396 ( -19.175 24.063 17.570) 35.432 4.698 ( 3.455 -12.474 -9.472) 16.039 4.698 ( -3.455 12.474 -9.472) 16.039 5.048 ( 2.453 -13.919 -16.626) 21.821 5.048 ( -2.453 13.919 -16.626) 21.821 5.507 ( 8.776 -19.193 4.681) 21.617 5.507 ( -8.776 19.193 4.681) 21.617 5.623 ( -1.958 -5.727 2.620) 6.595 5.623 ( 1.958 5.727 2.620) 6.595 5.771 ( 5.808 -14.591 3.843) 16.168 5.771 ( -5.808 14.591 3.843) 16.168 5.914 ( -7.745 -8.230 4.679) 12.231 5.914 ( 7.745 8.230 4.679) 12.231 6.177 ( 6.000 -5.472 12.238) 14.687 6.177 ( -6.000 5.472 12.238) 14.687 7.003 ( 0.778 -1.526 -6.222) 6.453 7.003 ( -0.778 1.526 -6.222) 6.453 7.191 ( -0.083 -5.867 -6.891) 9.051 7.191 ( 0.083 5.867 -6.891) 9.051 7.377 ( -0.206 -4.859 -6.815) 8.373 7.377 ( 0.206 4.859 -6.815) 8.373 7.759 ( -1.471 -0.196 0.056) 1.485 7.759 ( 1.471 0.196 0.056) 1.485 7.920 ( -7.439 -4.887 -2.010) 9.124 7.920 ( 7.439 4.887 -2.010) 9.124 8.081 ( -21.542 1.276 -1.043) 21.605 8.081 ( 21.542 -1.276 -1.043) 21.605 8.292 ( -2.026 -2.213 1.527) 3.366 8.292 ( 2.026 2.213 1.527) 3.366 8.509 ( -2.982 -0.078 -1.743) 3.455 8.509 ( 2.982 0.078 -1.743) 3.455 8.578 ( -6.182 -3.403 1.724) 7.264 8.578 ( 6.182 3.403 1.724) 7.264 8.925 ( -22.486 -3.926 7.230) 23.944 8.925 ( 22.486 3.926 7.230) 23.944 9.500 ( -18.863 -8.974 -1.798) 20.966 9.500 ( 18.863 8.974 -1.798) 20.966 9.822 ( -9.141 -3.548 0.073) 9.806 9.822 ( 9.141 3.548 0.073) 9.806 10.182 ( -3.299 -4.125 0.813) 5.344 10.182 ( 3.299 4.125 0.813) 5.344 10.440 ( 0.480 -6.974 -4.111) 8.109 10.440 ( -0.480 6.974 -4.111) 8.109 10.769 ( -2.184 -1.239 -5.332) 5.893 10.769 ( 2.184 1.239 -5.332) 5.893 10.884 ( -1.808 -4.222 -1.860) 4.955 10.884 ( 1.808 4.222 -1.860) 4.955 11.221 ( -0.418 -8.340 -2.430) 8.696 11.221 ( 0.418 8.340 -2.430) 8.696 11.396 ( -2.684 -2.384 7.915) 8.691 11.396 ( 2.684 2.384 7.915) 8.691 11.696 ( -1.326 -0.316 -1.730) 2.203 11.696 ( 1.326 0.316 -1.730) 2.203 11.870 ( -1.275 0.291 1.726) 2.165 11.870 ( 1.275 -0.291 1.726) 2.165 12.224 ( 1.046 -9.472 -0.648) 9.552 12.224 ( -1.046 9.472 -0.648) 9.552 12.433 ( -3.790 -5.873 2.785) 7.524 12.433 ( 3.790 5.873 2.785) 7.524 12.762 ( -7.367 -5.815 3.178) 9.909 12.762 ( 7.367 5.815 3.178) 9.909 13.090 ( -17.075 1.166 3.189) 17.409 13.090 ( 17.075 -1.166 3.189) 17.409 13.539 ( -5.233 -0.154 -1.091) 5.348 13.539 ( 5.233 0.154 -1.091) 5.348 13.696 ( -6.753 0.871 -1.858) 7.058 13.696 ( 6.753 -0.871 -1.858) 7.058 13.973 ( 1.675 -6.849 -2.639) 7.529 13.973 ( -1.675 6.849 -2.639) 7.529 ======================= Grid point 77 (27/84) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 34.118 0.000 25.009) 42.302 1.451 ( 32.986 0.000 28.428) 43.546 2.310 ( 48.580 0.000 50.437) 70.028 4.058 ( 1.819 0.000 -28.082) 28.141 4.291 ( -0.542 -0.000 -31.957) 31.962 4.376 ( 7.503 0.000 8.135) 11.067 4.851 ( -0.579 -0.000 9.291) 9.309 4.879 ( -0.817 -0.000 14.174) 14.197 4.937 ( 3.457 0.000 10.273) 10.839 5.329 ( -1.110 -0.000 14.241) 14.284 5.413 ( -2.317 -0.000 15.295) 15.469 5.793 ( -4.915 -0.000 -4.140) 6.426 5.929 ( -11.231 -0.000 -4.049) 11.939 5.976 ( -2.612 -0.000 -9.615) 9.964 6.407 ( 6.964 0.000 -18.409) 19.683 6.471 ( -19.329 -0.000 2.802) 19.531 6.613 ( -7.892 -0.000 -7.669) 11.004 6.678 ( -6.155 -0.000 -6.798) 9.171 7.017 ( 4.419 0.000 -5.176) 6.806 7.162 ( 4.188 0.000 -4.112) 5.869 7.271 ( 6.007 0.000 -0.575) 6.034 7.291 ( 10.793 0.000 -0.834) 10.825 7.435 ( 8.942 0.000 1.907) 9.143 7.491 ( -1.617 -0.000 -2.351) 2.853 7.521 ( 6.419 0.000 1.038) 6.503 7.576 ( 0.804 0.000 5.498) 5.557 7.596 ( -1.539 -0.000 5.731) 5.935 7.695 ( 0.427 0.000 2.881) 2.912 7.800 ( 4.453 0.000 4.457) 6.300 7.966 ( 2.029 0.000 5.165) 5.549 8.131 ( 10.150 0.000 -2.372) 10.423 8.313 ( 3.394 0.000 -2.423) 4.170 8.480 ( 7.566 0.000 2.840) 8.081 8.570 ( -1.464 -0.000 -0.683) 1.615 8.843 ( -4.003 -0.000 -1.859) 4.413 8.897 ( -16.405 -0.000 6.411) 17.613 9.122 ( -14.455 -0.000 -3.508) 14.874 9.586 ( -2.966 -0.000 -5.123) 5.919 9.652 ( -30.270 -0.000 -3.341) 30.454 9.779 ( -34.191 -0.000 -1.340) 34.218 9.907 ( -3.119 -0.000 -10.224) 10.689 10.039 ( 11.362 0.000 -13.737) 17.827 10.188 ( -5.105 -0.000 -0.314) 5.114 10.372 ( -0.643 -0.000 -5.255) 5.294 10.435 ( 0.687 0.000 3.977) 4.036 10.590 ( 2.225 0.000 4.379) 4.912 10.787 ( 7.480 0.000 1.460) 7.622 10.800 ( -3.996 -0.000 3.202) 5.121 11.005 ( 14.026 0.000 -3.403) 14.433 11.137 ( 5.138 0.000 -1.314) 5.303 11.199 ( 6.081 0.000 -2.531) 6.586 11.228 ( 3.794 0.000 5.966) 7.071 11.365 ( 5.881 0.000 1.874) 6.173 11.448 ( -0.696 -0.000 1.805) 1.934 11.622 ( -1.836 -0.000 2.774) 3.327 11.718 ( -8.421 -0.000 -0.702) 8.450 11.854 ( 0.242 0.000 -4.011) 4.018 11.929 ( 0.410 0.000 2.770) 2.800 12.000 ( -3.445 -0.000 -2.298) 4.141 12.225 ( 27.766 0.000 1.625) 27.813 12.259 ( 12.606 0.000 4.899) 13.525 12.361 ( -4.855 -0.000 -2.629) 5.521 12.372 ( -1.197 -0.000 1.144) 1.656 12.511 ( 1.905 0.000 -8.924) 9.125 12.887 ( 2.166 0.000 4.245) 4.765 12.953 ( -5.228 -0.000 -2.015) 5.603 13.343 ( -18.388 -0.000 23.699) 29.996 13.411 ( 9.147 0.000 1.402) 9.254 13.755 ( -3.279 -0.000 0.030) 3.280 13.843 ( -9.984 -0.000 3.563) 10.601 13.912 ( 2.225 0.000 -5.012) 5.484 14.277 ( -4.296 -0.000 -3.490) 5.535 ======================= Grid point 78 (28/84) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 34.497 -9.388 18.313) 40.168 2.035 ( 34.288 -15.104 22.043) 43.470 3.171 ( 48.700 -26.657 31.883) 64.022 4.135 ( 3.242 -5.045 -22.694) 23.473 4.296 ( 0.033 3.128 -17.117) 17.400 4.377 ( 2.755 4.893 -4.997) 7.517 4.664 ( -3.999 15.387 13.571) 20.903 4.963 ( 0.810 -7.383 7.521) 10.570 5.101 ( 4.840 -10.625 10.411) 15.643 5.314 ( -2.665 -0.413 14.799) 15.043 5.434 ( 2.204 -7.176 12.903) 14.928 5.708 ( -5.292 2.246 -7.490) 9.442 5.746 ( -11.982 2.023 -3.210) 12.569 5.954 ( -5.669 -2.093 -7.005) 9.251 6.194 ( -22.481 1.613 1.881) 22.617 6.261 ( -6.370 13.789 -8.600) 17.455 6.621 ( -0.016 4.341 -2.009) 4.784 6.681 ( -2.052 -10.944 -8.807) 14.197 7.030 ( 3.878 4.701 -11.873) 13.346 7.181 ( 1.653 3.276 -3.994) 5.423 7.276 ( 2.739 4.681 1.188) 5.551 7.322 ( -1.844 7.460 -2.439) 8.062 7.396 ( 3.014 5.401 -0.925) 6.253 7.531 ( 0.221 1.718 3.862) 4.233 7.605 ( 5.407 -2.021 3.372) 6.685 7.631 ( 12.548 -3.085 4.368) 13.640 7.706 ( 2.581 -3.121 1.406) 4.287 7.743 ( 4.557 -5.409 1.245) 7.181 7.906 ( 6.087 -4.349 0.961) 7.542 8.016 ( 2.542 -2.151 2.779) 4.337 8.228 ( 3.316 1.723 -5.864) 6.953 8.355 ( 10.070 0.219 -4.773) 11.146 8.475 ( -10.631 1.916 1.801) 10.951 8.574 ( -2.701 -2.065 4.870) 5.940 8.703 ( -4.066 2.018 0.817) 4.612 8.830 ( 6.369 1.765 7.367) 9.897 8.921 ( -16.923 2.558 1.939) 17.225 9.183 ( -37.836 0.515 -0.941) 37.851 9.390 ( -32.573 -6.586 -2.696) 33.341 9.584 ( 1.499 1.202 -3.062) 3.615 9.869 ( -0.692 3.055 -9.475) 9.979 10.093 ( 5.023 4.400 -6.757) 9.499 10.163 ( -0.687 -1.263 -3.224) 3.530 10.351 ( 0.825 1.605 -6.505) 6.751 10.451 ( 3.502 5.435 4.364) 7.800 10.595 ( 3.445 0.719 1.741) 3.927 10.765 ( -2.678 -0.599 1.680) 3.217 10.850 ( 5.186 1.777 -3.266) 6.381 11.057 ( 2.143 12.290 0.951) 12.511 11.128 ( 6.204 5.944 -0.894) 8.638 11.196 ( 0.910 3.959 1.779) 4.435 11.267 ( 8.085 -1.037 2.104) 8.418 11.421 ( 5.833 4.681 1.519) 7.632 11.487 ( -1.175 -3.494 2.768) 4.610 11.609 ( -1.678 0.254 2.334) 2.886 11.709 ( -1.136 -7.560 0.786) 7.685 11.807 ( -1.157 2.800 -0.214) 3.037 11.921 ( -3.281 -1.124 -0.957) 3.598 12.018 ( -0.506 -4.713 -1.657) 5.022 12.108 ( -0.646 12.225 -0.916) 12.277 12.401 ( -1.847 -7.386 -1.996) 7.871 12.436 ( 4.881 -3.368 2.279) 6.353 12.584 ( 19.025 -1.329 -1.208) 19.110 12.682 ( 2.037 -8.214 -1.687) 8.629 12.893 ( 1.693 1.676 0.680) 2.477 12.998 ( 1.854 -9.294 1.872) 9.660 13.215 ( -12.199 -5.651 14.002) 19.412 13.555 ( 10.392 -1.787 -0.319) 10.549 13.681 ( -11.469 -1.073 2.350) 11.757 13.737 ( -4.186 -0.092 0.255) 4.195 13.908 ( -1.185 1.988 -3.290) 4.023 14.206 ( -3.258 2.395 -4.484) 6.038 ======================= Grid point 79 (29/84) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 31.305 -15.915 12.948) 37.429 2.713 ( 32.340 -18.126 19.203) 41.752 3.989 ( -0.044 20.794 7.149) 21.989 4.062 ( 12.866 4.327 15.944) 20.940 4.324 ( 3.708 -9.500 -12.203) 15.903 4.417 ( 14.543 -13.843 3.740) 20.423 4.532 ( 3.116 -11.628 -15.556) 19.670 4.992 ( -5.062 1.041 8.566) 10.004 5.264 ( -3.286 -8.094 5.091) 10.111 5.428 ( 5.553 -9.583 3.964) 11.763 5.552 ( -7.068 3.442 -3.652) 8.668 5.638 ( -11.442 -4.884 -2.675) 12.726 5.667 ( 8.566 -8.153 7.986) 14.269 5.877 ( -8.347 6.410 -4.397) 11.406 5.916 ( -17.051 -1.970 1.616) 17.240 5.997 ( -4.227 3.766 -2.146) 6.054 6.442 ( -4.621 12.561 9.665) 16.509 6.743 ( -10.144 12.585 0.515) 16.172 6.926 ( 4.944 1.475 -14.619) 15.503 7.091 ( -4.631 5.046 -1.317) 6.974 7.201 ( -1.046 3.415 -5.325) 6.411 7.275 ( 4.389 2.065 -6.881) 8.419 7.345 ( 2.506 3.014 -0.152) 3.923 7.501 ( 0.634 3.419 -0.848) 3.580 7.674 ( -2.309 -5.123 2.987) 6.363 7.736 ( -0.723 -1.484 -0.233) 1.667 7.798 ( -1.907 -2.367 0.071) 3.040 7.961 ( 15.230 -6.088 2.395) 16.576 8.021 ( 2.096 -0.356 -3.737) 4.300 8.078 ( 1.459 -1.303 -1.275) 2.335 8.235 ( 3.199 -0.634 -0.585) 3.314 8.294 ( -8.092 1.354 1.908) 8.423 8.449 ( -8.864 -2.529 3.239) 9.770 8.547 ( 6.245 1.377 -4.575) 7.862 8.604 ( -15.500 1.397 -0.031) 15.563 8.683 ( -9.791 2.600 3.721) 10.792 8.815 ( -11.799 -1.225 -0.288) 11.866 9.018 ( 24.956 2.064 10.492) 27.151 9.167 ( -26.191 -10.579 -2.763) 28.382 9.617 ( 6.277 0.609 1.830) 6.566 9.813 ( -1.069 2.335 -7.941) 8.346 10.060 ( 4.422 6.570 -2.500) 8.304 10.165 ( -0.047 1.467 -2.429) 2.838 10.353 ( 1.262 0.087 -8.723) 8.814 10.366 ( 2.116 7.599 5.097) 9.392 10.674 ( 4.561 -3.315 -2.247) 6.070 10.736 ( 1.157 3.632 -0.877) 3.911 10.856 ( -0.109 5.533 -2.179) 5.947 10.889 ( 1.960 7.523 -2.489) 8.163 11.047 ( -1.451 7.309 -2.790) 7.957 11.127 ( 0.110 2.626 2.266) 3.470 11.327 ( 2.220 0.088 8.247) 8.541 11.471 ( -1.640 1.379 2.581) 3.355 11.531 ( -0.511 7.220 -0.022) 7.238 11.546 ( 9.058 -3.928 0.021) 9.873 11.745 ( -3.816 1.110 -1.336) 4.193 11.851 ( 2.016 -3.501 0.747) 4.108 11.904 ( -0.999 -5.888 4.784) 7.652 11.946 ( -6.536 3.027 -0.898) 7.259 12.152 ( 5.791 -6.054 -2.260) 8.677 12.459 ( -6.953 -6.377 -3.224) 9.971 12.522 ( 2.666 0.073 -1.095) 2.882 12.640 ( 1.542 3.633 0.687) 4.006 12.828 ( 6.392 -2.055 6.570) 9.394 13.005 ( 4.536 -3.901 1.502) 6.168 13.081 ( -3.668 -3.087 3.917) 6.191 13.260 ( 1.436 -10.391 3.021) 10.916 13.503 ( -17.120 -3.279 1.520) 17.497 13.704 ( 4.313 1.173 -2.847) 5.299 13.780 ( 9.037 -4.720 -0.330) 10.201 13.808 ( -7.731 3.620 -2.409) 8.870 14.144 ( 1.138 3.831 -4.451) 5.982 ======================= Grid point 80 (30/84) ======================= q-point: ( 0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 26.590 -16.152 9.382) 32.495 3.368 ( 25.206 -15.002 16.887) 33.846 3.520 ( -2.194 28.634 9.162) 30.144 3.639 ( -8.799 29.338 16.527) 34.804 4.545 ( 3.532 -11.932 -11.005) 16.612 4.779 ( -1.345 -5.771 -6.221) 8.592 4.857 ( 0.314 -6.238 -12.082) 13.601 5.164 ( 0.710 0.856 -7.284) 7.369 5.301 ( 9.722 -19.369 1.261) 21.709 5.442 ( -15.264 -3.201 -1.313) 15.651 5.512 ( -7.918 -1.136 -2.474) 8.373 5.583 ( -13.196 -11.984 5.865) 18.766 5.622 ( -7.558 -2.343 3.595) 8.691 5.786 ( 5.730 3.376 5.906) 8.895 5.964 ( 2.800 0.589 1.602) 3.279 6.008 ( -1.537 12.725 4.216) 13.493 6.225 ( 8.419 -4.730 9.489) 13.538 6.281 ( -7.676 16.257 14.512) 23.104 6.968 ( -6.021 0.432 -2.100) 6.391 7.018 ( 1.429 0.220 -7.778) 7.912 7.144 ( 0.397 0.122 -9.930) 9.939 7.297 ( -0.223 5.759 -3.364) 6.673 7.333 ( 2.263 -0.868 -7.187) 7.584 7.456 ( 1.629 3.049 -6.868) 7.689 7.688 ( -6.106 -2.417 1.015) 6.645 7.699 ( -11.848 -0.668 -1.580) 11.972 7.763 ( -5.952 -1.652 -3.683) 7.192 7.872 ( -12.539 -0.108 -1.449) 12.623 8.070 ( 4.036 3.752 -0.352) 5.522 8.145 ( -5.814 -2.501 0.671) 6.365 8.291 ( -7.892 -3.100 0.824) 8.519 8.321 ( -6.006 -2.414 4.481) 7.873 8.397 ( 5.528 -1.835 1.142) 5.936 8.437 ( 0.622 -3.568 3.255) 4.870 8.500 ( -5.903 1.377 2.736) 6.650 8.643 ( 9.661 1.048 -0.075) 9.718 8.939 ( 17.321 0.133 -4.696) 17.947 9.056 ( -15.917 -10.758 -3.575) 19.542 9.340 ( 29.141 1.154 8.799) 30.462 9.708 ( 7.943 -0.068 4.185) 8.978 9.768 ( -0.389 2.542 -4.319) 5.027 10.026 ( 3.127 3.155 1.898) 4.831 10.128 ( 0.357 1.921 -2.300) 3.018 10.295 ( 1.730 5.119 2.282) 5.866 10.382 ( 1.659 -2.215 -6.355) 6.931 10.603 ( 1.057 13.667 -2.479) 13.930 10.755 ( -5.054 -0.068 -2.701) 5.731 10.796 ( 3.423 -2.752 -2.208) 4.916 10.837 ( 1.365 3.138 -3.903) 5.191 10.969 ( 2.748 3.845 -4.393) 6.453 11.129 ( 1.597 -2.491 0.122) 2.962 11.338 ( -2.080 0.501 7.452) 7.753 11.356 ( -1.938 8.734 -2.009) 9.169 11.458 ( 1.416 1.167 3.499) 3.951 11.639 ( -8.832 3.155 0.744) 9.408 11.713 ( 3.799 -3.761 -1.048) 5.448 11.831 ( -4.274 -0.531 2.163) 4.819 11.862 ( -1.056 -0.667 2.176) 2.509 12.089 ( 2.990 -10.237 2.083) 10.867 12.297 ( 3.583 -2.165 -2.074) 4.672 12.406 ( 0.612 4.842 -3.860) 6.222 12.525 ( -7.359 -3.922 -0.222) 8.342 12.608 ( 0.812 3.511 4.307) 5.616 12.889 ( -8.586 -0.158 3.856) 9.414 12.910 ( 0.211 1.467 6.883) 7.041 13.248 ( 10.842 -4.017 0.461) 11.571 13.347 ( -15.174 -3.803 0.634) 15.657 13.454 ( 0.664 -10.276 0.780) 10.327 13.623 ( -11.686 3.477 -2.246) 12.397 13.770 ( 6.756 -1.449 -2.868) 7.481 13.977 ( 10.292 -3.884 -2.116) 11.202 14.101 ( 3.481 5.946 -3.193) 7.594 ======================= Grid point 81 (31/84) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -8.278 34.361 13.012) 37.663 2.984 ( -10.125 34.322 17.410) 39.795 3.704 ( 22.827 -12.811 7.160) 27.138 3.959 ( 23.701 -11.473 15.468) 30.539 4.624 ( -1.476 8.180 -13.962) 16.249 4.752 ( -5.589 6.081 -7.241) 10.984 4.861 ( -15.736 14.721 2.929) 21.746 4.910 ( -1.186 5.152 -13.331) 14.341 5.212 ( -16.274 10.360 -3.505) 19.608 5.299 ( -18.703 -3.089 5.068) 19.622 5.399 ( 2.551 -8.835 -7.551) 11.899 5.542 ( -10.881 2.622 4.389) 12.022 5.732 ( -2.184 -13.324 5.839) 14.710 5.776 ( 0.594 1.337 11.689) 11.780 6.043 ( -2.605 3.927 15.803) 16.491 6.124 ( 17.191 -21.409 1.618) 27.504 6.316 ( 14.072 -12.754 -0.638) 19.002 6.524 ( 12.858 -6.666 5.960) 15.662 6.896 ( -5.181 -0.486 -6.811) 8.571 7.025 ( -0.926 -4.539 -1.273) 4.805 7.148 ( -1.292 4.435 -10.185) 11.183 7.202 ( 0.038 2.706 -7.557) 8.027 7.319 ( -1.438 2.805 -5.665) 6.483 7.431 ( -8.964 3.116 -3.563) 10.137 7.478 ( -4.299 2.225 -3.902) 6.217 7.641 ( -8.496 -3.387 -4.095) 10.021 7.711 ( -8.711 -3.730 -4.735) 10.593 7.833 ( -0.646 -1.227 -2.842) 3.162 8.031 ( -0.033 3.688 4.052) 5.479 8.054 ( -9.240 -2.298 3.398) 10.110 8.205 ( -6.359 0.021 3.341) 7.183 8.269 ( -2.805 5.478 5.281) 8.110 8.414 ( -6.176 -4.034 -1.112) 7.460 8.463 ( -2.654 -1.439 -0.278) 3.032 8.509 ( 1.616 -3.388 2.744) 4.650 8.942 ( 26.119 -3.622 0.743) 26.379 9.025 ( -7.532 -11.761 -4.326) 14.621 9.214 ( 19.065 1.217 -4.515) 19.630 9.625 ( 7.630 -2.670 4.151) 9.087 9.684 ( 6.730 9.566 4.930) 12.693 9.862 ( 15.301 -1.794 1.356) 15.465 10.061 ( 0.711 -3.985 0.944) 4.157 10.148 ( 3.489 -1.328 -3.109) 4.858 10.234 ( 1.435 4.315 -1.990) 4.964 10.403 ( -0.980 7.873 -1.423) 8.060 10.502 ( 6.160 -3.957 0.146) 7.323 10.673 ( -4.012 1.410 -4.753) 6.378 10.829 ( 1.081 0.621 -2.645) 2.923 10.849 ( 0.044 0.508 -4.361) 4.391 10.988 ( 4.438 -0.531 -1.150) 4.616 11.173 ( -1.391 5.630 -3.008) 6.533 11.258 ( 2.245 -4.184 -2.094) 5.190 11.316 ( -0.673 -0.098 2.730) 2.813 11.355 ( -10.260 4.762 0.782) 11.338 11.553 ( 1.532 0.438 8.143) 8.298 11.720 ( -7.084 -0.749 2.941) 7.707 11.819 ( -1.278 -1.945 0.362) 2.356 11.886 ( -0.617 -1.699 0.757) 1.960 12.241 ( 0.722 -3.427 0.912) 3.619 12.266 ( 0.424 5.550 0.587) 5.597 12.336 ( -12.144 3.696 -2.415) 12.921 12.448 ( -5.852 -1.829 3.072) 6.858 12.546 ( 1.334 2.765 2.786) 4.145 12.846 ( 1.567 -2.631 3.225) 4.447 12.893 ( 3.089 5.801 3.070) 7.254 13.228 ( -10.255 -1.496 -1.024) 10.414 13.372 ( -6.019 -0.426 -3.446) 6.949 13.495 ( 0.549 -4.900 1.614) 5.188 13.603 ( -0.247 -7.689 0.748) 7.730 13.901 ( 7.565 -3.064 -1.760) 8.350 14.030 ( 3.594 8.525 -1.605) 9.389 14.145 ( 8.401 -2.223 -2.964) 9.182 ======================= Grid point 82 (32/84) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -6.241 36.399 19.058) 41.557 2.313 ( -7.761 37.059 19.685) 42.674 3.755 ( -12.766 51.538 20.158) 56.793 4.101 ( 15.196 -5.986 4.655) 16.983 4.455 ( -2.357 12.133 -21.541) 24.835 4.534 ( -5.380 8.370 -21.213) 23.430 4.560 ( 15.203 -4.959 14.800) 21.789 4.900 ( -9.709 0.921 -3.535) 10.373 5.070 ( -18.470 0.402 14.121) 23.253 5.146 ( 0.548 -11.446 -1.947) 11.623 5.472 ( -1.676 -5.892 -2.745) 6.713 5.605 ( 1.706 2.138 12.695) 12.986 5.722 ( -0.560 -2.206 11.975) 12.190 5.920 ( 0.879 -14.411 -3.176) 14.783 6.141 ( -1.691 -16.305 2.732) 16.619 6.487 ( 10.494 -1.754 -2.153) 10.855 6.559 ( 8.445 3.550 -3.530) 9.817 6.754 ( 0.909 -16.657 -3.610) 17.067 6.925 ( 1.826 -3.222 -5.979) 7.033 7.027 ( -2.705 1.947 -5.909) 6.784 7.128 ( -2.388 3.933 -5.141) 6.899 7.162 ( 1.338 -5.931 -2.293) 6.498 7.214 ( -9.414 2.157 -0.993) 9.709 7.269 ( 0.516 3.436 -4.750) 5.885 7.497 ( 3.198 -0.998 -0.043) 3.351 7.609 ( -5.400 -3.870 -4.430) 7.985 7.652 ( -8.116 -2.365 -5.251) 9.951 7.844 ( 1.234 1.044 -3.367) 3.735 7.966 ( -0.460 5.512 3.088) 6.335 8.013 ( -4.796 -3.878 7.246) 9.516 8.116 ( -2.443 4.139 5.039) 6.964 8.158 ( -2.830 2.955 5.100) 6.539 8.392 ( -7.444 -3.923 -0.872) 8.459 8.418 ( -1.864 1.376 -0.662) 2.409 8.601 ( 1.920 -3.962 0.862) 4.486 9.150 ( -2.211 -14.204 -10.113) 17.576 9.318 ( 18.046 1.763 0.228) 18.134 9.374 ( 14.024 0.762 0.856) 14.071 9.591 ( 0.750 0.102 2.666) 2.772 9.749 ( 4.054 -1.108 -0.597) 4.245 9.977 ( -9.414 -3.985 0.974) 10.269 10.130 ( 2.916 -4.149 -0.433) 5.089 10.227 ( 2.609 -1.495 -3.507) 4.620 10.279 ( 7.371 4.907 -1.598) 8.998 10.361 ( 14.137 -0.656 -2.351) 14.346 10.629 ( -2.123 -0.091 -3.491) 4.087 10.681 ( 5.893 -6.110 2.462) 8.839 10.781 ( 0.060 3.942 3.646) 5.370 10.855 ( -0.499 -1.847 -8.079) 8.303 11.031 ( 0.284 3.632 -2.911) 4.663 11.090 ( 1.411 0.815 2.038) 2.609 11.159 ( -4.022 2.393 1.777) 5.006 11.324 ( -0.792 -1.051 -0.456) 1.393 11.427 ( 3.366 -6.412 1.262) 7.350 11.552 ( -3.973 -1.751 4.262) 6.084 11.637 ( -5.415 -1.941 3.941) 6.973 11.832 ( -0.079 0.053 -1.261) 1.265 11.878 ( -4.294 -0.812 1.770) 4.715 11.996 ( -18.448 5.460 0.852) 19.257 12.208 ( 2.741 7.406 4.171) 8.931 12.226 ( -0.658 4.997 3.490) 6.130 12.352 ( -3.835 6.206 4.382) 8.511 12.653 ( 3.140 -9.027 -3.346) 10.126 12.806 ( 1.320 7.446 0.436) 7.574 12.923 ( 4.898 1.757 0.639) 5.243 13.139 ( -4.153 1.150 -3.445) 5.517 13.270 ( -8.898 -2.728 -0.194) 9.309 13.643 ( 4.994 -5.254 1.863) 7.485 13.694 ( -1.249 -5.443 0.221) 5.589 13.928 ( 2.338 8.733 0.385) 9.049 14.032 ( 5.276 -2.903 -0.947) 6.096 14.255 ( 5.155 -0.950 -3.791) 6.469 ======================= Grid point 83 (33/84) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 0.000 34.393 27.931) 44.306 1.672 ( 0.000 36.861 23.547) 43.740 2.760 ( 0.000 58.883 36.303) 69.174 4.220 ( 0.000 10.878 -26.122) 28.296 4.259 ( -0.000 -1.191 7.490) 7.584 4.393 ( 0.000 6.203 -31.039) 31.653 4.807 ( -0.000 -4.587 16.878) 17.491 4.844 ( -0.000 -1.860 1.243) 2.237 4.909 ( 0.000 0.071 13.708) 13.708 5.315 ( -0.000 -8.435 2.400) 8.769 5.438 ( 0.000 6.597 14.153) 15.615 5.694 ( -0.000 -12.221 -2.081) 12.397 5.767 ( -0.000 -3.074 12.403) 12.778 6.153 ( -0.000 -11.651 -11.076) 16.075 6.385 ( 0.000 12.600 -10.134) 16.170 6.412 ( -0.000 -18.340 -4.195) 18.814 6.666 ( -0.000 -3.155 -0.211) 3.162 6.924 ( 0.000 3.438 -11.179) 11.696 6.942 ( 0.000 3.139 -7.654) 8.273 6.998 ( -0.000 -10.470 -3.712) 11.109 7.095 ( -0.000 -0.200 -2.938) 2.945 7.160 ( -0.000 -5.424 2.813) 6.110 7.222 ( 0.000 2.627 -2.358) 3.530 7.247 ( -0.000 -1.915 4.097) 4.522 7.581 ( -0.000 -2.845 3.983) 4.894 7.592 ( -0.000 -0.704 -3.054) 3.134 7.638 ( -0.000 -2.519 -5.876) 6.393 7.814 ( 0.000 5.061 -1.436) 5.261 7.849 ( 0.000 7.072 5.970) 9.255 8.010 ( 0.000 1.995 7.794) 8.046 8.037 ( 0.000 3.499 5.179) 6.250 8.135 ( -0.000 -3.049 4.103) 5.112 8.382 ( -0.000 -2.290 -0.383) 2.322 8.400 ( -0.000 -0.741 -2.266) 2.384 8.673 ( -0.000 -4.181 1.683) 4.507 9.279 ( 0.000 7.513 2.410) 7.890 9.365 ( -0.000 -13.154 -16.522) 21.119 9.533 ( -0.000 -1.512 -0.351) 1.552 9.637 ( -0.000 -1.814 -0.297) 1.838 9.811 ( -0.000 -2.365 -7.344) 7.715 9.975 ( -0.000 -9.918 3.797) 10.620 10.223 ( 0.000 2.162 -3.735) 4.315 10.249 ( -0.000 -2.234 3.331) 4.011 10.277 ( -0.000 -2.271 -3.382) 4.073 10.527 ( 0.000 0.560 0.740) 0.928 10.571 ( -0.000 -1.095 -10.360) 10.417 10.712 ( -0.000 -1.199 6.977) 7.079 10.866 ( -0.000 -2.421 0.435) 2.460 10.896 ( -0.000 -2.429 -3.682) 4.411 11.015 ( 0.000 1.061 -0.031) 1.061 11.019 ( 0.000 3.696 3.702) 5.231 11.150 ( 0.000 1.494 3.900) 4.177 11.331 ( -0.000 -2.982 0.171) 2.987 11.434 ( -0.000 -0.668 4.085) 4.139 11.651 ( -0.000 -3.514 4.071) 5.378 11.670 ( 0.000 6.969 4.885) 8.510 11.706 ( -0.000 -12.567 -3.896) 13.157 11.860 ( 0.000 2.639 -0.816) 2.762 11.883 ( -0.000 -1.486 -1.551) 2.148 12.109 ( 0.000 6.439 11.845) 13.482 12.133 ( 0.000 5.987 1.957) 6.299 12.223 ( 0.000 5.791 2.126) 6.169 12.675 ( 0.000 7.726 -0.844) 7.772 12.819 ( -0.000 -0.834 -7.498) 7.544 12.903 ( -0.000 -1.577 -1.045) 1.892 13.073 ( 0.000 6.304 -2.334) 6.723 13.255 ( -0.000 -2.414 1.704) 2.955 13.731 ( -0.000 -1.353 5.944) 6.096 13.766 ( -0.000 -5.196 -3.856) 6.471 13.841 ( 0.000 3.617 2.298) 4.286 14.102 ( -0.000 -0.604 -1.588) 1.699 14.300 ( -0.000 -0.832 -4.040) 4.125 ======================= Grid point 86 (34/84) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 37.956 0.000 12.406) 39.932 2.351 ( 37.952 0.000 16.292) 41.301 3.610 ( 51.960 0.000 28.538) 59.281 4.131 ( 4.245 0.000 -20.796) 21.224 4.270 ( -0.455 -0.000 -24.316) 24.320 4.605 ( 9.228 0.000 3.834) 9.993 4.835 ( -0.848 -0.000 10.090) 10.126 4.843 ( -1.325 -0.000 13.062) 13.129 5.013 ( 0.508 0.000 9.510) 9.524 5.269 ( -8.187 -0.000 15.595) 17.613 5.311 ( -0.079 -0.000 11.874) 11.874 5.489 ( -20.761 -0.000 -2.285) 20.886 5.730 ( -1.080 -0.000 -9.056) 9.120 5.861 ( -19.924 -0.000 -0.996) 19.948 5.946 ( -8.607 -0.000 -6.293) 10.662 6.388 ( -8.001 -0.000 -7.092) 10.692 6.399 ( -8.699 -0.000 -4.631) 9.855 6.727 ( 7.145 0.000 -5.330) 8.914 7.128 ( 3.954 0.000 -12.248) 12.871 7.204 ( -3.810 -0.000 -2.362) 4.483 7.273 ( -8.820 -0.000 0.690) 8.847 7.399 ( 2.118 0.000 0.052) 2.119 7.431 ( 0.001 0.000 -0.436) 0.436 7.548 ( 1.072 0.000 3.446) 3.609 7.612 ( 1.881 0.000 2.468) 3.103 7.668 ( -2.581 -0.000 3.143) 4.067 7.762 ( 6.699 0.000 1.179) 6.801 7.795 ( 7.229 0.000 6.373) 9.637 8.002 ( -0.694 -0.000 -0.686) 0.976 8.062 ( 19.947 0.000 -2.442) 20.095 8.147 ( -11.402 -0.000 -4.974) 12.440 8.375 ( -7.050 -0.000 4.603) 8.420 8.432 ( -5.105 -0.000 4.273) 6.657 8.585 ( 17.750 0.000 -7.403) 19.232 8.608 ( -34.216 -0.000 4.714) 34.539 8.705 ( -3.708 -0.000 -2.959) 4.744 8.890 ( -12.793 -0.000 -3.371) 13.230 8.901 ( -28.061 -0.000 -0.845) 28.074 9.057 ( 22.654 0.000 11.469) 25.392 9.611 ( 1.878 0.000 -2.282) 2.955 9.926 ( 2.434 0.000 -9.606) 9.909 10.113 ( -1.236 -0.000 -3.229) 3.458 10.155 ( 0.239 0.000 -0.932) 0.962 10.387 ( 2.344 0.000 -5.427) 5.911 10.512 ( -1.007 -0.000 -0.797) 1.284 10.633 ( 0.981 0.000 3.811) 3.935 10.690 ( -3.410 -0.000 3.665) 5.007 10.932 ( 5.344 0.000 -4.559) 7.024 11.185 ( -5.497 -0.000 4.163) 6.896 11.203 ( 0.370 0.000 5.211) 5.224 11.270 ( 6.087 0.000 0.127) 6.088 11.423 ( 10.478 0.000 -1.350) 10.564 11.423 ( -0.199 -0.000 1.023) 1.042 11.532 ( -4.888 -0.000 1.276) 5.051 11.573 ( -0.154 -0.000 6.709) 6.711 11.683 ( 12.490 0.000 -5.294) 13.565 11.835 ( -8.477 -0.000 -0.627) 8.500 11.851 ( -2.110 -0.000 -3.799) 4.346 11.937 ( 1.644 0.000 -5.178) 5.433 12.219 ( -5.247 -0.000 -3.045) 6.066 12.297 ( -0.456 -0.000 -0.314) 0.554 12.403 ( -0.064 -0.000 -8.734) 8.734 12.621 ( 3.871 0.000 4.527) 5.956 12.766 ( 5.560 0.000 0.598) 5.592 12.925 ( -0.353 -0.000 5.462) 5.473 12.947 ( 2.472 0.000 8.027) 8.399 13.145 ( 8.362 0.000 7.895) 11.500 13.455 ( -18.326 -0.000 3.053) 18.579 13.701 ( 11.342 0.000 0.603) 11.358 13.728 ( 1.357 0.000 -3.164) 3.442 13.867 ( -7.850 -0.000 -2.531) 8.248 14.206 ( 0.310 0.000 -5.504) 5.512 ======================= Grid point 87 (35/84) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 36.689 -3.658 8.967) 37.946 2.927 ( 36.418 -10.317 14.050) 40.374 4.231 ( 9.644 -7.515 -11.540) 16.813 4.308 ( 4.340 -2.928 -13.845) 14.802 4.335 ( 26.585 -1.307 12.419) 29.372 4.442 ( 7.175 13.971 4.357) 16.299 4.618 ( 0.838 17.242 10.646) 20.281 4.902 ( -2.240 -4.298 10.295) 11.379 5.058 ( -9.595 -6.906 12.631) 17.300 5.255 ( -23.641 -5.559 -0.588) 24.293 5.304 ( 2.709 -12.722 0.852) 13.035 5.500 ( -0.578 -11.517 6.789) 13.381 5.557 ( -25.472 -4.048 3.852) 26.078 5.687 ( 3.519 1.565 -6.799) 7.815 5.926 ( 1.086 -0.937 -4.682) 4.897 6.081 ( -6.821 13.550 -9.688) 18.000 6.425 ( -8.518 -3.604 3.331) 9.831 6.769 ( -1.515 3.429 -0.620) 3.799 7.024 ( -14.122 2.952 1.043) 14.465 7.091 ( 0.940 8.134 -8.640) 11.904 7.231 ( -0.310 1.120 -5.297) 5.423 7.360 ( 0.957 2.549 -0.822) 2.844 7.418 ( -0.450 3.719 -0.472) 3.775 7.549 ( -0.688 0.696 0.115) 0.986 7.594 ( -0.119 -0.913 3.817) 3.926 7.663 ( -5.459 0.865 -2.503) 6.068 7.760 ( -2.006 -0.279 0.217) 2.037 7.879 ( -13.666 -1.563 0.353) 13.759 7.944 ( -0.772 -4.593 1.848) 5.011 8.114 ( -0.821 -5.658 -1.509) 5.913 8.184 ( -14.863 -2.035 5.401) 15.944 8.254 ( -4.838 2.652 -1.718) 5.778 8.370 ( -5.406 1.508 0.761) 5.663 8.447 ( 14.677 2.023 1.604) 14.903 8.548 ( -10.796 -1.798 0.575) 10.960 8.648 ( -0.651 -1.741 -1.343) 2.293 8.790 ( -10.655 -3.201 -1.095) 11.179 8.942 ( 23.546 -0.388 -7.200) 24.625 9.373 ( 27.035 0.736 8.656) 28.397 9.655 ( 3.185 -2.270 0.772) 3.987 9.895 ( 2.273 6.246 -7.218) 9.812 10.116 ( -0.550 0.283 0.261) 0.672 10.158 ( -1.024 -1.216 -2.216) 2.727 10.363 ( -2.603 2.893 -7.391) 8.353 10.507 ( 0.788 3.143 2.391) 4.027 10.572 ( -2.401 -2.605 -0.383) 3.563 10.749 ( 0.648 -4.415 1.049) 4.584 10.962 ( 1.922 5.175 -2.626) 6.113 11.077 ( -2.055 2.669 0.798) 3.462 11.118 ( -0.170 9.756 3.499) 10.366 11.253 ( 4.511 8.798 -0.281) 9.891 11.413 ( 2.067 4.241 3.078) 5.633 11.449 ( -0.831 -1.290 1.871) 2.420 11.530 ( -2.533 1.141 2.473) 3.720 11.617 ( 2.962 -3.912 0.188) 4.911 11.708 ( -3.368 2.602 -2.129) 4.759 11.804 ( -3.192 -1.417 2.069) 4.060 11.837 ( 3.395 -1.661 3.981) 5.490 11.964 ( -1.855 2.402 -3.930) 4.965 12.205 ( 3.550 -1.372 -5.254) 6.487 12.258 ( 0.344 -3.135 -6.522) 7.245 12.503 ( 0.321 -5.627 -6.948) 8.946 12.698 ( 0.608 -2.650 1.668) 3.190 12.784 ( -3.090 -3.825 1.862) 5.258 12.890 ( -3.865 0.166 8.482) 9.323 13.014 ( -0.852 -5.596 7.877) 9.700 13.232 ( -17.203 -2.024 4.379) 17.867 13.319 ( 14.343 -0.467 2.347) 14.541 13.720 ( -11.470 2.066 -3.133) 12.069 13.753 ( 2.330 -0.070 -3.132) 3.904 13.868 ( 11.085 -2.415 -1.414) 11.432 14.212 ( 2.505 1.601 -4.819) 5.663 ======================= Grid point 88 (36/84) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( 32.925 -7.589 6.030) 34.322 3.531 ( 31.647 -10.504 13.925) 36.135 3.969 ( -0.153 29.517 9.887) 31.129 4.074 ( -0.007 32.416 9.710) 33.839 4.433 ( 4.342 -8.512 -8.677) 12.907 4.569 ( 2.200 -15.082 -9.268) 17.838 4.779 ( -4.785 -4.533 1.885) 6.855 4.990 ( -23.105 -3.839 0.240) 23.423 5.108 ( -3.710 -16.817 7.539) 18.799 5.193 ( -18.186 -9.220 2.791) 20.580 5.331 ( 12.487 -10.991 8.191) 18.542 5.369 ( -6.275 5.617 -13.183) 15.644 5.605 ( 1.288 -0.161 -5.999) 6.138 5.872 ( 3.198 -0.786 1.634) 3.676 5.927 ( 5.215 -7.821 1.446) 9.511 6.057 ( 5.906 -12.208 5.492) 14.631 6.300 ( -5.506 7.945 9.325) 13.431 6.442 ( -11.604 23.125 5.841) 26.524 6.823 ( -15.571 -2.192 3.314) 16.070 7.066 ( 3.915 1.605 -5.712) 7.108 7.195 ( 1.583 2.848 -9.954) 10.474 7.333 ( -4.068 -0.235 -3.543) 5.400 7.374 ( 2.158 3.592 -2.862) 5.075 7.504 ( -5.411 0.176 -2.749) 6.072 7.535 ( -6.479 2.534 -5.509) 8.874 7.584 ( -5.261 2.214 -1.068) 5.807 7.703 ( -7.090 -0.518 1.009) 7.181 7.754 ( -2.854 -1.779 -1.679) 3.759 7.872 ( -17.179 -4.435 3.913) 18.169 8.169 ( 2.733 -2.663 2.348) 4.481 8.200 ( -0.353 1.436 -1.958) 2.454 8.238 ( 1.889 -6.289 2.690) 7.097 8.285 ( -6.021 -1.486 0.301) 6.209 8.435 ( -5.377 -0.164 1.788) 5.669 8.502 ( -2.776 1.914 0.773) 3.459 8.722 ( -8.537 -6.085 -1.236) 10.557 8.905 ( 27.853 -0.607 -0.106) 27.860 9.242 ( 22.837 0.171 -5.441) 23.477 9.634 ( 12.873 2.288 0.310) 13.079 9.767 ( 4.990 -5.137 1.028) 7.235 9.868 ( 10.375 3.323 0.336) 10.899 10.050 ( -3.297 5.111 3.220) 6.883 10.154 ( -0.744 -0.324 -3.032) 3.138 10.300 ( -4.388 -1.094 -5.158) 6.860 10.450 ( 3.359 4.213 3.579) 6.469 10.620 ( -5.020 -4.573 -3.503) 7.640 10.808 ( 0.902 2.851 1.668) 3.424 10.841 ( 1.957 5.080 -2.615) 6.039 10.913 ( -3.321 9.683 0.092) 10.237 11.108 ( 8.127 3.560 -4.836) 10.105 11.190 ( 4.140 4.266 0.771) 5.995 11.359 ( -0.130 3.846 4.052) 5.588 11.441 ( -1.727 2.547 0.087) 3.079 11.467 ( -2.697 3.651 -0.531) 4.570 11.572 ( -6.604 1.091 2.350) 7.094 11.698 ( -0.768 -0.154 0.977) 1.252 11.775 ( -3.738 -0.114 2.545) 4.523 11.826 ( -1.501 -1.806 1.967) 3.064 12.017 ( 4.488 -4.464 3.572) 7.268 12.264 ( -6.846 -5.190 -1.217) 8.677 12.348 ( 5.015 -1.798 -7.397) 9.116 12.553 ( 4.662 4.421 -7.233) 9.674 12.649 ( -5.344 0.498 1.865) 5.682 12.778 ( -2.722 0.192 4.406) 5.183 12.930 ( 0.615 -4.757 5.454) 7.264 13.048 ( -11.566 -11.909 0.473) 16.608 13.162 ( -3.584 -4.875 7.312) 9.491 13.470 ( 4.409 0.886 -0.264) 4.505 13.520 ( -8.448 1.986 -1.513) 8.809 13.816 ( 4.782 -1.779 -2.928) 5.883 14.041 ( 8.481 -3.813 -2.362) 9.594 14.212 ( 2.810 3.036 -3.616) 5.495 ======================= Grid point 89 (37/84) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( -2.942 33.721 14.111) 36.673 3.487 ( -0.797 36.097 9.530) 37.342 3.879 ( 27.072 -5.801 3.768) 27.942 4.143 ( 29.787 -8.886 13.970) 34.079 4.598 ( 0.429 -6.828 -5.464) 8.756 4.657 ( -21.273 -3.170 1.037) 21.533 4.768 ( -10.711 -1.560 -3.430) 11.354 4.830 ( -6.248 -7.254 0.432) 9.583 5.038 ( -12.255 -3.352 -3.268) 13.119 5.238 ( -3.009 -7.665 -9.694) 12.719 5.287 ( -5.953 -0.624 -8.854) 10.687 5.377 ( -3.983 -5.052 -7.935) 10.215 5.742 ( -6.597 33.718 8.293) 35.344 5.897 ( 8.941 -2.014 11.180) 14.457 6.027 ( 14.627 -13.560 7.393) 21.271 6.068 ( -5.508 3.286 14.564) 15.914 6.237 ( 3.119 -8.754 4.796) 10.458 6.432 ( 4.071 -18.620 3.612) 19.399 6.759 ( -8.582 -9.678 0.826) 12.961 7.020 ( 0.781 6.788 -4.231) 8.036 7.216 ( 3.897 2.264 -11.197) 12.070 7.282 ( -1.573 2.921 -8.623) 9.239 7.314 ( -3.238 1.992 -3.545) 5.198 7.376 ( -4.980 4.124 -1.466) 6.630 7.449 ( -9.046 -1.829 -6.674) 11.389 7.527 ( 2.687 0.108 -6.092) 6.659 7.641 ( -2.873 2.832 -3.775) 5.525 7.778 ( -1.793 -4.452 -0.983) 4.899 7.801 ( -8.503 -6.998 7.583) 13.370 8.152 ( 0.514 3.621 -0.042) 3.658 8.182 ( -0.394 3.497 1.688) 3.903 8.253 ( -3.268 -3.360 0.066) 4.688 8.346 ( -2.244 4.170 3.392) 5.825 8.391 ( 0.471 -7.074 2.081) 7.389 8.463 ( -2.272 -1.847 1.656) 3.364 8.761 ( -3.840 -8.998 -2.989) 10.229 9.264 ( 26.685 -0.673 -0.032) 26.694 9.472 ( 14.681 1.278 -3.284) 15.098 9.636 ( -0.013 2.778 -1.957) 3.398 9.845 ( -6.562 4.278 1.954) 8.073 9.905 ( -1.603 -4.829 2.141) 5.520 10.025 ( 6.051 1.637 3.695) 7.276 10.168 ( -0.785 -1.886 -5.575) 5.937 10.324 ( 8.770 -1.711 -0.719) 8.964 10.485 ( 4.357 -1.868 4.220) 6.346 10.574 ( -1.921 3.250 -4.596) 5.948 10.631 ( -3.285 8.853 -0.869) 9.483 10.837 ( 0.248 0.851 -6.948) 7.004 10.856 ( -1.027 0.505 3.542) 3.722 11.125 ( 8.197 4.848 -0.957) 9.571 11.256 ( 4.697 -1.966 -2.251) 5.568 11.293 ( -1.677 9.009 -2.130) 9.408 11.323 ( -2.151 2.644 -1.161) 3.601 11.334 ( -2.264 3.892 0.133) 4.504 11.528 ( -4.929 -0.511 4.561) 6.735 11.657 ( -2.191 1.536 7.268) 7.745 11.762 ( -1.557 -2.993 2.423) 4.154 11.863 ( 0.754 -1.842 1.185) 2.316 12.116 ( -13.023 1.219 0.567) 13.092 12.156 ( -2.196 -5.838 2.988) 6.917 12.384 ( 0.904 1.195 -3.917) 4.194 12.498 ( 3.717 7.427 -1.289) 8.405 12.626 ( 1.541 3.562 0.159) 3.884 12.803 ( 0.276 -6.402 0.229) 6.412 12.970 ( 1.876 -1.391 1.901) 3.011 13.097 ( -2.988 -1.553 5.541) 6.485 13.261 ( -4.671 -7.704 -2.243) 9.284 13.299 ( -9.686 -3.972 -1.798) 10.622 13.593 ( 4.564 -1.928 2.692) 5.639 13.913 ( 3.421 -3.577 -1.915) 5.307 14.170 ( 2.668 2.922 -2.849) 4.876 14.192 ( 4.056 -1.128 -2.561) 4.928 ======================= Grid point 90 (38/84) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 0.000 36.600 18.348) 40.941 2.882 ( 0.000 39.399 11.426) 41.022 4.187 ( -0.000 -3.668 2.527) 4.454 4.362 ( 0.000 25.436 10.006) 27.333 4.495 ( 0.000 1.751 -5.406) 5.683 4.608 ( 0.000 1.341 -7.396) 7.517 4.632 ( -0.000 -4.184 8.915) 9.849 4.876 ( 0.000 0.683 8.905) 8.931 4.961 ( 0.000 17.751 -13.085) 22.053 5.001 ( -0.000 -6.541 -7.354) 9.842 5.369 ( 0.000 2.338 1.431) 2.741 5.527 ( -0.000 -18.011 -0.913) 18.034 5.602 ( -0.000 -17.439 -2.127) 17.568 5.835 ( 0.000 10.083 15.641) 18.609 5.986 ( -0.000 -2.285 14.828) 15.003 6.425 ( -0.000 -11.230 3.201) 11.677 6.447 ( -0.000 -20.572 -1.035) 20.598 6.735 ( -0.000 -16.034 1.329) 16.089 6.777 ( 0.000 7.547 -9.017) 11.759 7.016 ( -0.000 -9.733 3.122) 10.222 7.142 ( 0.000 7.882 -10.623) 13.228 7.204 ( 0.000 6.244 -9.333) 11.229 7.209 ( 0.000 5.136 -1.947) 5.493 7.328 ( 0.000 2.450 -4.477) 5.103 7.466 ( -0.000 -7.386 -8.299) 11.110 7.550 ( 0.000 3.501 -3.427) 4.899 7.573 ( -0.000 -1.240 -4.016) 4.203 7.824 ( -0.000 -2.810 -5.089) 5.813 7.870 ( -0.000 -8.109 8.220) 11.547 8.074 ( 0.000 7.075 4.016) 8.135 8.135 ( 0.000 1.622 2.488) 2.970 8.233 ( 0.000 5.495 5.475) 7.757 8.292 ( -0.000 -2.703 -0.340) 2.724 8.431 ( 0.000 0.777 -1.118) 1.362 8.532 ( -0.000 -6.142 2.241) 6.538 8.907 ( -0.000 -12.979 -6.546) 14.537 9.488 ( 0.000 0.215 -0.106) 0.239 9.533 ( 0.000 5.446 -3.876) 6.685 9.610 ( -0.000 -0.352 4.140) 4.155 9.739 ( -0.000 -4.106 1.645) 4.424 9.861 ( 0.000 5.687 4.827) 7.459 10.078 ( -0.000 -3.803 -0.043) 3.803 10.199 ( -0.000 -2.694 -6.576) 7.106 10.433 ( 0.000 8.726 0.430) 8.737 10.472 ( -0.000 -3.876 -3.531) 5.243 10.565 ( -0.000 -0.244 -6.032) 6.037 10.611 ( -0.000 -7.330 5.007) 8.877 10.813 ( 0.000 1.758 7.239) 7.449 10.825 ( -0.000 -0.073 -12.339) 12.340 11.160 ( 0.000 7.944 -1.399) 8.066 11.176 ( 0.000 4.472 3.360) 5.593 11.186 ( 0.000 2.229 3.130) 3.842 11.264 ( -0.000 -0.099 -5.291) 5.292 11.409 ( -0.000 -5.361 -3.210) 6.249 11.453 ( 0.000 1.533 4.276) 4.542 11.630 ( 0.000 1.190 7.782) 7.873 11.805 ( -0.000 -3.157 1.351) 3.434 11.889 ( 0.000 6.702 2.700) 7.226 11.904 ( -0.000 -0.670 0.976) 1.184 12.245 ( -0.000 -1.660 2.690) 3.161 12.380 ( 0.000 0.355 0.516) 0.626 12.384 ( 0.000 9.321 0.295) 9.326 12.586 ( 0.000 0.275 -0.775) 0.822 12.908 ( -0.000 -1.210 -0.454) 1.293 12.969 ( 0.000 2.565 1.614) 3.030 13.126 ( -0.000 -6.092 -0.114) 6.093 13.139 ( 0.000 3.915 -0.646) 3.967 13.486 ( -0.000 -13.139 -2.813) 13.436 13.660 ( -0.000 -2.795 4.142) 4.997 13.998 ( -0.000 -4.301 -1.292) 4.491 14.081 ( 0.000 8.135 -0.868) 8.181 14.266 ( -0.000 -2.308 -3.654) 4.322 ======================= Grid point 95 (39/84) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 35.486 0.000 6.257) 36.033 3.288 ( 36.759 0.000 9.892) 38.067 4.245 ( 5.771 0.000 -11.008) 12.429 4.305 ( 3.606 0.000 -12.201) 12.723 4.593 ( 1.545 0.000 6.142) 6.334 4.760 ( -11.671 -0.000 6.647) 13.432 4.818 ( 26.161 0.000 12.106) 28.827 4.844 ( -11.671 -0.000 10.903) 15.972 4.943 ( -15.616 -0.000 3.594) 16.025 4.965 ( 10.520 0.000 3.915) 11.225 5.162 ( -1.474 -0.000 3.491) 3.789 5.163 ( -26.037 -0.000 5.329) 26.577 5.356 ( 3.837 0.000 10.304) 10.995 5.755 ( 1.556 0.000 -6.095) 6.291 5.901 ( -0.140 -0.000 -8.534) 8.535 6.197 ( -6.165 -0.000 -8.076) 10.160 6.204 ( -6.625 -0.000 -4.820) 8.193 6.790 ( -1.141 -0.000 4.114) 4.269 6.797 ( -22.402 -0.000 5.667) 23.108 7.201 ( -2.318 -0.000 -0.747) 2.436 7.204 ( -0.661 -0.000 -6.813) 6.845 7.353 ( -2.638 -0.000 0.143) 2.642 7.418 ( -0.953 -0.000 2.311) 2.500 7.517 ( -4.239 -0.000 -0.537) 4.273 7.601 ( -19.090 -0.000 5.106) 19.761 7.638 ( 2.473 0.000 -2.246) 3.341 7.664 ( 0.025 0.000 -5.401) 5.401 7.754 ( -2.643 -0.000 -0.534) 2.696 7.847 ( -7.519 -0.000 0.014) 7.519 8.001 ( -3.967 -0.000 7.131) 8.160 8.125 ( 5.488 0.000 -1.857) 5.794 8.195 ( -16.301 -0.000 -1.959) 16.418 8.329 ( 4.181 0.000 -2.598) 4.922 8.400 ( -0.670 -0.000 1.198) 1.373 8.550 ( -7.120 -0.000 -1.693) 7.319 8.640 ( -4.261 -0.000 -0.852) 4.345 8.881 ( 27.016 0.000 2.947) 27.176 9.245 ( 23.407 0.000 -6.147) 24.200 9.665 ( 2.500 0.000 2.046) 3.231 9.678 ( 19.581 0.000 0.516) 19.588 10.015 ( 5.959 0.000 -4.325) 7.363 10.084 ( -1.036 -0.000 -3.971) 4.103 10.133 ( -1.813 -0.000 0.768) 1.969 10.300 ( -14.226 -0.000 -1.515) 14.306 10.474 ( 4.022 0.000 -5.770) 7.033 10.654 ( 1.466 0.000 -0.221) 1.483 10.673 ( 0.540 0.000 3.990) 4.026 11.007 ( -6.951 -0.000 6.333) 9.403 11.053 ( 3.589 0.000 -2.594) 4.428 11.206 ( 1.067 0.000 3.902) 4.045 11.397 ( -2.359 -0.000 2.114) 3.167 11.427 ( 2.868 0.000 0.334) 2.887 11.450 ( 4.706 0.000 1.835) 5.051 11.518 ( -7.635 -0.000 -2.445) 8.017 11.562 ( 0.568 0.000 2.393) 2.460 11.715 ( -5.737 -0.000 4.613) 7.362 11.737 ( 0.026 0.000 -1.577) 1.577 11.847 ( -2.379 -0.000 3.013) 3.839 12.001 ( 4.312 0.000 -2.935) 5.216 12.175 ( 2.301 0.000 -4.140) 4.737 12.379 ( -0.948 -0.000 -11.908) 11.945 12.437 ( 11.049 0.000 -7.145) 13.158 12.606 ( -3.321 -0.000 3.584) 4.886 12.740 ( -2.842 -0.000 -0.935) 2.991 12.861 ( -18.004 -0.000 3.499) 18.341 12.883 ( -0.504 -0.000 6.355) 6.375 13.091 ( -1.128 -0.000 13.416) 13.463 13.485 ( 10.519 0.000 0.858) 10.554 13.574 ( -12.929 -0.000 -2.880) 13.246 13.790 ( 3.204 0.000 -3.835) 4.997 13.968 ( 8.124 0.000 -1.924) 8.349 14.253 ( 2.124 0.000 -4.520) 4.994 ======================= Grid point 96 (40/84) ======================= q-point: ( 0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( 32.488 -1.738 3.960) 32.775 3.796 ( 31.906 -7.260 9.244) 34.002 4.343 ( -7.858 12.985 6.103) 16.358 4.374 ( 1.108 -5.256 -3.967) 6.678 4.403 ( 3.814 0.507 -2.067) 4.368 4.619 ( -2.732 22.184 3.343) 22.601 4.641 ( -11.375 -3.126 0.925) 11.833 4.675 ( -8.575 9.663 3.638) 13.422 4.777 ( -12.216 -5.978 4.605) 14.358 4.809 ( -21.094 -5.942 2.049) 22.010 5.350 ( 9.862 -16.236 4.464) 19.514 5.408 ( 2.193 -4.744 -4.239) 6.729 5.591 ( 17.649 -7.589 10.656) 21.969 5.776 ( 1.959 -10.638 -1.492) 10.920 5.950 ( -1.617 9.223 -9.031) 13.010 5.985 ( 0.900 -3.964 -0.708) 4.126 6.250 ( -4.969 -3.671 0.204) 6.181 6.532 ( -20.641 -3.126 6.461) 21.854 6.673 ( -3.448 14.162 4.704) 15.316 7.137 ( 0.940 2.312 -0.800) 2.621 7.163 ( -5.443 -0.611 -0.505) 5.500 7.332 ( 1.087 2.869 -4.157) 5.167 7.402 ( -1.639 1.118 -0.177) 1.992 7.411 ( -9.307 -3.742 3.761) 10.713 7.531 ( -1.752 -3.194 -1.156) 3.822 7.584 ( 0.294 5.759 -1.468) 5.951 7.642 ( -2.047 6.213 -2.784) 7.109 7.726 ( -0.890 -1.002 -4.193) 4.402 7.733 ( -4.543 1.995 -0.815) 5.028 8.059 ( -8.051 -5.225 -2.471) 9.911 8.091 ( 0.648 -9.612 6.273) 11.496 8.237 ( 7.160 -0.292 -0.977) 7.232 8.336 ( 1.776 4.018 -2.615) 5.113 8.399 ( -1.155 0.402 0.034) 1.224 8.460 ( -5.454 0.138 -0.529) 5.481 8.594 ( -3.941 -2.255 0.630) 4.584 9.225 ( 23.880 -1.800 2.533) 24.082 9.486 ( 14.514 0.248 -3.600) 14.955 9.731 ( 4.005 -2.809 2.738) 5.607 9.804 ( 5.715 4.667 -8.481) 11.241 9.992 ( -6.296 5.675 -2.185) 8.753 10.067 ( -2.082 -0.388 -4.698) 5.153 10.110 ( -2.113 -1.421 -0.444) 2.585 10.215 ( -0.643 -5.000 0.462) 5.062 10.532 ( 3.334 1.064 -2.044) 4.053 10.580 ( 0.716 4.052 1.183) 4.282 10.776 ( 1.244 -5.340 0.974) 5.569 10.912 ( -2.217 3.014 3.850) 5.368 11.035 ( -1.021 6.331 1.650) 6.622 11.222 ( 4.430 0.711 -3.618) 5.763 11.330 ( 2.036 6.784 1.012) 7.155 11.406 ( -3.340 3.661 0.902) 5.037 11.434 ( -0.124 1.765 1.383) 2.245 11.483 ( -0.187 0.633 2.711) 2.791 11.574 ( 4.143 1.946 1.287) 4.755 11.647 ( -8.353 -2.077 5.730) 10.340 11.727 ( -3.772 2.079 -1.591) 4.592 11.783 ( -2.120 -0.764 1.469) 2.690 12.040 ( 3.111 0.276 3.719) 4.856 12.212 ( 2.348 2.422 -1.685) 3.771 12.378 ( 1.168 -0.985 -10.898) 11.004 12.562 ( -2.975 -1.619 -0.091) 3.388 12.668 ( 1.051 -6.456 -4.459) 7.916 12.696 ( 0.523 -5.538 -1.332) 5.720 12.737 ( -6.500 -5.080 0.892) 8.297 12.864 ( -1.934 -0.187 2.444) 3.122 13.114 ( 0.804 -1.410 14.539) 14.629 13.390 ( -10.933 2.369 -2.855) 11.546 13.590 ( 5.531 0.890 0.900) 5.674 13.835 ( 2.302 -1.401 -3.437) 4.367 14.068 ( 4.348 -2.711 -2.416) 5.665 14.267 ( 1.326 0.985 -3.892) 4.228 ======================= Grid point 97 (41/84) ======================= q-point: (-0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.852 ( 0.000 29.509 11.669) 31.732 3.970 ( 0.000 12.664 4.777) 13.535 4.113 ( 0.000 12.322 3.799) 12.894 4.329 ( -0.000 -6.069 10.165) 11.838 4.375 ( -0.000 -2.802 4.851) 5.602 4.461 ( -0.000 -2.969 6.072) 6.759 4.506 ( -0.000 -5.618 -1.671) 5.862 4.699 ( -0.000 -7.182 -4.488) 8.469 4.811 ( -0.000 -15.170 -1.310) 15.227 4.948 ( -0.000 -18.348 0.071) 18.348 5.287 ( 0.000 10.016 -18.235) 20.804 5.517 ( 0.000 7.476 -11.862) 14.021 5.891 ( -0.000 -10.354 9.859) 14.297 5.898 ( -0.000 -7.566 1.784) 7.774 6.011 ( -0.000 -6.072 10.513) 12.141 6.141 ( -0.000 -18.178 3.467) 18.506 6.217 ( 0.000 2.409 6.026) 6.490 6.273 ( 0.000 30.461 7.100) 31.277 6.499 ( -0.000 -10.660 5.690) 12.084 7.124 ( 0.000 3.194 -2.099) 3.822 7.174 ( -0.000 -5.598 -6.520) 8.593 7.297 ( 0.000 2.559 -6.423) 6.914 7.349 ( 0.000 1.716 -4.795) 5.093 7.413 ( 0.000 1.302 -1.601) 2.064 7.447 ( 0.000 8.164 -2.254) 8.469 7.537 ( 0.000 1.258 -2.412) 2.720 7.617 ( -0.000 -6.572 4.419) 7.920 7.689 ( 0.000 3.474 -7.827) 8.563 7.729 ( -0.000 -2.201 2.796) 3.558 8.097 ( -0.000 -5.397 -2.994) 6.172 8.251 ( 0.000 3.652 -1.653) 4.009 8.254 ( -0.000 -9.164 5.073) 10.475 8.283 ( 0.000 4.447 0.416) 4.466 8.397 ( -0.000 -3.094 1.013) 3.255 8.401 ( 0.000 3.193 1.286) 3.442 8.632 ( -0.000 -5.349 -0.342) 5.360 9.461 ( -0.000 -3.741 1.748) 4.129 9.579 ( 0.000 0.529 -1.781) 1.858 9.719 ( 0.000 6.362 -4.709) 7.915 9.755 ( 0.000 3.901 -2.668) 4.726 9.879 ( -0.000 -2.393 0.442) 2.434 10.096 ( -0.000 -3.341 -6.013) 6.879 10.101 ( 0.000 1.710 2.808) 3.288 10.310 ( -0.000 -5.831 -2.971) 6.544 10.505 ( 0.000 2.081 6.237) 6.575 10.566 ( 0.000 0.508 -3.807) 3.841 10.842 ( -0.000 -1.705 3.721) 4.093 10.845 ( 0.000 12.963 0.067) 12.963 10.874 ( 0.000 4.056 -2.992) 5.040 11.252 ( 0.000 4.698 3.795) 6.039 11.267 ( -0.000 -0.773 -6.599) 6.644 11.343 ( 0.000 1.354 -1.743) 2.207 11.352 ( 0.000 5.161 0.126) 5.162 11.465 ( 0.000 10.122 -1.957) 10.310 11.496 ( 0.000 0.909 4.623) 4.711 11.650 ( -0.000 -1.784 8.963) 9.139 11.697 ( -0.000 -3.017 2.724) 4.065 11.816 ( -0.000 -3.987 0.610) 4.033 12.075 ( -0.000 -2.916 3.980) 4.934 12.112 ( 0.000 7.924 0.223) 7.927 12.395 ( -0.000 -0.293 -6.858) 6.864 12.628 ( -0.000 -7.156 -1.763) 7.370 12.640 ( 0.000 5.535 -0.823) 5.596 12.736 ( 0.000 3.003 -0.380) 3.027 12.874 ( -0.000 -10.653 -4.315) 11.494 12.984 ( -0.000 -16.481 -0.031) 16.481 13.120 ( 0.000 1.603 11.849) 11.957 13.263 ( 0.000 3.580 -1.025) 3.724 13.611 ( 0.000 0.287 1.116) 1.152 13.884 ( -0.000 -2.732 -2.462) 3.678 14.151 ( -0.000 -4.131 -2.902) 5.048 14.250 ( 0.000 2.551 -3.104) 4.018 ======================= Grid point 105 (42/84) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.978 ( 0.000 0.000 3.247) 3.247 3.995 ( 0.000 0.000 5.219) 5.219 4.204 ( 0.000 0.000 2.609) 2.609 4.324 ( -0.000 -0.000 7.292) 7.292 4.422 ( 0.000 0.000 -0.544) 0.544 4.516 ( 0.000 0.000 -1.518) 1.518 4.532 ( 0.000 0.000 -4.166) 4.166 4.632 ( 0.000 0.000 0.754) 0.754 4.850 ( 0.000 0.000 10.283) 10.283 5.111 ( 0.000 0.000 2.089) 2.089 5.142 ( 0.000 0.000 2.410) 2.410 5.163 ( -0.000 -0.000 3.502) 3.502 5.739 ( 0.000 0.000 16.782) 16.782 5.771 ( 0.000 0.000 -4.615) 4.615 5.908 ( 0.000 0.000 -6.286) 6.286 6.095 ( 0.000 0.000 -6.479) 6.479 6.117 ( 0.000 0.000 -9.582) 9.582 6.320 ( 0.000 0.000 7.626) 7.626 6.771 ( 0.000 0.000 5.038) 5.038 7.124 ( 0.000 0.000 3.775) 3.775 7.166 ( 0.000 0.000 0.863) 0.863 7.294 ( 0.000 0.000 5.180) 5.180 7.370 ( 0.000 0.000 -0.703) 0.703 7.419 ( 0.000 0.000 3.916) 3.916 7.459 ( 0.000 0.000 -4.827) 4.827 7.694 ( 0.000 0.000 -1.479) 1.479 7.696 ( 0.000 0.000 -1.085) 1.085 7.709 ( 0.000 0.000 -5.007) 5.007 7.711 ( -0.000 -0.000 -7.140) 7.140 7.951 ( 0.000 0.000 -2.348) 2.348 7.996 ( 0.000 0.000 7.548) 7.548 8.306 ( 0.000 0.000 -0.150) 0.150 8.387 ( -0.000 -0.000 -2.448) 2.448 8.400 ( 0.000 0.000 0.115) 0.115 8.403 ( 0.000 0.000 -4.905) 4.905 8.545 ( 0.000 0.000 2.028) 2.028 9.369 ( 0.000 0.000 6.620) 6.620 9.581 ( 0.000 0.000 -2.833) 2.833 9.834 ( 0.000 0.000 -4.971) 4.971 9.838 ( -0.000 -0.000 -0.618) 0.618 9.903 ( 0.000 0.000 -7.297) 7.297 10.070 ( 0.000 0.000 -4.053) 4.053 10.108 ( 0.000 0.000 -8.810) 8.810 10.139 ( 0.000 0.000 4.657) 4.657 10.577 ( 0.000 0.000 -3.572) 3.572 10.681 ( 0.000 0.000 -1.041) 1.041 10.683 ( 0.000 0.000 4.144) 4.144 10.912 ( 0.000 0.000 6.032) 6.032 11.076 ( 0.000 0.000 4.437) 4.437 11.243 ( 0.000 0.000 -5.626) 5.626 11.386 ( 0.000 0.000 1.650) 1.650 11.452 ( 0.000 0.000 1.825) 1.825 11.479 ( 0.000 0.000 3.159) 3.159 11.491 ( -0.000 -0.000 7.631) 7.631 11.498 ( 0.000 0.000 1.213) 1.213 11.686 ( -0.000 -0.000 0.713) 0.713 11.705 ( 0.000 0.000 -0.477) 0.477 11.754 ( 0.000 0.000 -0.787) 0.787 12.066 ( 0.000 0.000 4.138) 4.138 12.288 ( 0.000 0.000 -2.458) 2.458 12.367 ( 0.000 0.000 -10.384) 10.384 12.486 ( -0.000 -0.000 -1.677) 1.677 12.559 ( 0.000 0.000 3.609) 3.609 12.594 ( 0.000 0.000 -0.861) 0.861 12.810 ( 0.000 0.000 -0.903) 0.903 12.823 ( 0.000 0.000 -6.033) 6.033 13.108 ( 0.000 0.000 15.760) 15.760 13.334 ( 0.000 0.000 -1.572) 1.572 13.634 ( 0.000 0.000 0.908) 0.908 13.836 ( 0.000 0.000 -3.936) 3.936 14.073 ( 0.000 0.000 -2.351) 2.351 14.282 ( 0.000 0.000 -3.982) 3.982 ======================= Grid point 134 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 0.000 0.000 41.521) 41.521 1.839 ( 0.000 0.000 43.860) 43.860 3.076 ( 0.000 0.000 65.993) 65.993 3.357 ( 0.000 0.000 -32.316) 32.316 3.540 ( 0.000 0.000 -38.735) 38.735 4.560 ( 0.000 0.000 16.993) 16.993 5.010 ( 0.000 0.000 6.371) 6.371 5.209 ( 0.000 0.000 16.381) 16.381 5.273 ( 0.000 0.000 4.312) 4.312 5.349 ( 0.000 0.000 5.079) 5.079 5.533 ( 0.000 0.000 -39.702) 39.702 5.536 ( 0.000 0.000 -0.766) 0.766 5.947 ( 0.000 0.000 5.834) 5.834 5.955 ( 0.000 0.000 -13.347) 13.347 6.144 ( 0.000 0.000 18.695) 18.695 6.355 ( 0.000 0.000 -22.205) 22.205 6.511 ( 0.000 0.000 -16.451) 16.451 6.812 ( 0.000 0.000 -13.235) 13.235 6.910 ( 0.000 0.000 8.542) 8.542 7.013 ( 0.000 0.000 7.221) 7.221 7.194 ( 0.000 0.000 -3.007) 3.007 7.214 ( 0.000 0.000 1.920) 1.920 7.366 ( 0.000 0.000 -6.123) 6.123 7.379 ( 0.000 0.000 -2.315) 2.315 7.475 ( 0.000 0.000 8.805) 8.805 7.678 ( 0.000 0.000 1.373) 1.373 7.691 ( 0.000 0.000 0.482) 0.482 7.711 ( 0.000 0.000 1.022) 1.022 7.933 ( 0.000 0.000 11.633) 11.633 8.101 ( 0.000 0.000 7.369) 7.369 8.104 ( 0.000 0.000 6.146) 6.146 8.296 ( 0.000 0.000 4.091) 4.091 8.319 ( 0.000 0.000 -6.631) 6.631 8.402 ( 0.000 0.000 -1.345) 1.345 8.865 ( 0.000 0.000 0.663) 0.663 9.182 ( 0.000 0.000 -14.174) 14.174 9.212 ( 0.000 0.000 3.291) 3.291 9.494 ( 0.000 0.000 -10.798) 10.798 9.559 ( 0.000 0.000 0.950) 0.950 9.770 ( 0.000 0.000 -11.080) 11.080 9.939 ( 0.000 0.000 1.584) 1.584 10.208 ( 0.000 0.000 -9.512) 9.512 10.236 ( 0.000 0.000 0.848) 0.848 10.290 ( 0.000 0.000 -2.988) 2.988 10.688 ( 0.000 0.000 5.228) 5.228 10.690 ( 0.000 0.000 8.789) 8.789 10.865 ( 0.000 0.000 3.029) 3.029 10.893 ( 0.000 0.000 0.283) 0.283 10.896 ( 0.000 0.000 -2.610) 2.610 10.998 ( 0.000 0.000 -3.430) 3.430 11.031 ( 0.000 0.000 4.729) 4.729 11.178 ( 0.000 0.000 -0.259) 0.259 11.550 ( 0.000 0.000 12.225) 12.225 11.567 ( 0.000 0.000 6.150) 6.150 11.706 ( 0.000 0.000 3.870) 3.870 11.709 ( 0.000 0.000 10.070) 10.070 11.814 ( 0.000 0.000 -5.007) 5.007 11.888 ( 0.000 0.000 -4.317) 4.317 11.907 ( 0.000 0.000 0.452) 0.452 12.039 ( 0.000 0.000 -3.091) 3.091 12.063 ( 0.000 0.000 3.723) 3.723 12.274 ( 0.000 0.000 -9.077) 9.077 12.346 ( 0.000 0.000 -4.236) 4.236 12.379 ( 0.000 0.000 -2.882) 2.882 12.906 ( 0.000 0.000 0.512) 0.512 12.946 ( 0.000 0.000 -4.146) 4.146 13.378 ( 0.000 0.000 6.572) 6.572 13.719 ( 0.000 0.000 -7.569) 7.569 13.848 ( 0.000 0.000 2.608) 2.608 13.906 ( 0.000 0.000 0.696) 0.696 14.060 ( 0.000 0.000 5.059) 5.059 14.267 ( 0.000 0.000 -4.316) 4.316 ======================= Grid point 135 (44/84) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 9.214 -16.810 37.306) 41.943 2.040 ( 12.412 -15.772 37.334) 42.387 3.327 ( 13.507 -17.770 43.369) 48.776 3.465 ( 5.751 -11.493 -15.234) 19.930 3.602 ( 2.683 -5.729 -36.854) 37.394 4.548 ( 0.583 3.524 16.030) 16.423 5.002 ( 1.965 1.456 5.925) 6.410 5.162 ( -6.495 4.509 18.481) 20.101 5.260 ( 0.958 3.401 -8.677) 9.369 5.367 ( 4.689 -2.355 15.040) 15.929 5.508 ( 2.002 2.718 -7.256) 8.003 5.640 ( 4.652 -6.984 -26.938) 28.215 5.859 ( -4.922 3.352 -2.922) 6.634 5.985 ( -5.681 -4.300 -3.390) 7.890 6.138 ( -0.846 0.252 14.860) 14.886 6.308 ( -4.022 3.616 -18.189) 18.976 6.505 ( 0.384 -0.939 -15.410) 15.443 6.703 ( -11.074 0.604 -5.853) 12.540 6.941 ( 2.893 4.703 3.792) 6.699 7.012 ( 3.851 0.670 0.567) 3.949 7.174 ( 2.641 8.842 -2.518) 9.565 7.185 ( 1.502 2.355 -3.269) 4.300 7.315 ( 6.532 2.482 3.082) 7.637 7.435 ( 0.217 4.596 7.288) 8.619 7.505 ( 5.061 -3.061 -4.483) 7.422 7.646 ( -1.297 3.465 -0.886) 3.805 7.688 ( 2.216 1.276 1.293) 2.866 7.732 ( -0.182 -2.511 0.137) 2.521 7.946 ( -1.184 -2.741 9.357) 9.822 8.117 ( -1.111 -2.199 6.208) 6.679 8.121 ( 1.022 -1.453 5.469) 5.750 8.240 ( -2.705 0.314 -2.447) 3.661 8.408 ( 10.461 0.893 1.238) 10.572 8.458 ( 8.818 1.518 -1.330) 9.046 8.798 ( -1.688 5.954 2.050) 6.520 9.121 ( -4.381 2.092 -12.245) 13.172 9.207 ( -6.799 -3.734 5.147) 9.309 9.506 ( -6.805 1.647 -1.208) 7.105 9.555 ( 6.476 -0.406 -10.830) 12.625 9.667 ( -7.065 4.340 -6.730) 10.679 9.949 ( -9.530 -7.238 -3.106) 12.363 10.092 ( -19.462 -1.659 -5.492) 20.290 10.215 ( 2.445 4.901 0.048) 5.478 10.251 ( -1.817 3.724 -2.689) 4.939 10.598 ( -2.479 7.125 5.469) 9.318 10.647 ( -15.032 0.863 4.066) 15.596 10.783 ( 6.169 2.333 -0.345) 6.604 10.807 ( -1.628 -0.341 5.283) 5.539 10.877 ( -1.185 1.849 -2.817) 3.572 11.008 ( 4.259 2.779 -1.414) 5.279 11.127 ( 5.060 1.694 4.515) 6.989 11.235 ( 4.153 0.431 0.482) 4.203 11.480 ( -1.455 5.341 7.401) 9.242 11.570 ( 0.617 -2.324 4.912) 5.469 11.700 ( 1.028 1.169 3.726) 4.038 11.730 ( -4.946 1.096 -3.775) 6.318 11.818 ( -1.666 6.478 -4.267) 7.934 11.912 ( 10.077 0.687 1.337) 10.188 11.943 ( 17.694 0.108 3.893) 18.118 12.071 ( -0.010 -2.128 -0.341) 2.155 12.176 ( 1.418 -4.449 2.776) 5.432 12.232 ( 7.454 -4.605 1.335) 8.863 12.439 ( -2.204 -11.814 -4.540) 12.847 12.544 ( -0.215 -10.967 -7.794) 13.456 12.910 ( -1.368 1.904 -1.554) 2.813 12.945 ( 0.590 -3.793 -1.334) 4.064 13.394 ( 4.144 1.352 6.005) 7.420 13.722 ( 2.403 2.314 -7.598) 8.298 13.805 ( -6.272 0.558 4.171) 7.553 13.853 ( -6.855 -1.301 2.447) 7.394 14.033 ( -5.532 -0.534 3.485) 6.560 14.227 ( -3.464 2.108 -4.507) 6.063 ======================= Grid point 136 (45/84) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 13.563 -22.504 30.974) 40.617 2.566 ( 18.399 -24.371 28.091) 41.492 3.691 ( 7.513 -16.169 -25.347) 30.990 3.779 ( 4.658 -10.844 -31.963) 34.072 4.027 ( 22.299 -29.433 41.620) 55.640 4.414 ( -4.692 10.543 14.127) 18.241 4.906 ( -11.097 10.880 18.575) 24.219 5.044 ( 2.447 3.641 2.176) 4.896 5.167 ( 3.262 6.464 -10.225) 12.529 5.497 ( 3.793 -0.648 -0.303) 3.860 5.549 ( 7.799 -2.764 11.759) 14.378 5.695 ( -6.289 7.932 -8.849) 13.445 5.795 ( -0.226 -6.565 0.430) 6.583 5.989 ( -5.203 -6.943 -13.436) 15.994 6.126 ( -1.665 -2.533 10.474) 10.904 6.231 ( -2.538 -0.707 -11.058) 11.368 6.420 ( -10.770 3.928 -4.428) 12.290 6.673 ( 1.274 -1.974 -14.196) 14.389 6.822 ( -4.869 5.338 2.879) 7.777 6.974 ( 0.453 7.934 -4.593) 9.179 7.128 ( 4.990 4.783 -1.341) 7.041 7.205 ( 6.256 3.166 -4.482) 8.321 7.273 ( -3.789 8.050 5.327) 10.370 7.429 ( 14.134 3.584 3.821) 15.074 7.503 ( -2.008 6.174 -1.787) 6.734 7.629 ( 7.935 2.258 -5.915) 10.152 7.727 ( 5.656 -0.240 0.399) 5.676 7.771 ( 1.374 -1.204 -1.503) 2.366 7.970 ( -2.770 -2.744 4.859) 6.230 8.121 ( -1.775 -1.495 1.168) 2.598 8.180 ( 1.429 -4.219 4.925) 6.641 8.258 ( 1.843 -3.060 0.058) 3.573 8.506 ( 4.217 2.870 -0.050) 5.101 8.529 ( 9.271 2.916 0.187) 9.721 8.699 ( 2.458 4.848 5.621) 7.820 9.035 ( -6.924 1.514 -6.922) 9.907 9.100 ( -16.761 -0.420 5.087) 17.521 9.335 ( -1.913 9.905 -6.084) 11.780 9.547 ( -10.851 -3.230 0.870) 11.355 9.657 ( 5.822 -2.633 -5.227) 8.255 9.820 ( -27.453 -4.488 -1.999) 27.889 9.919 ( -16.233 -8.563 -4.688) 18.942 10.109 ( -4.057 4.316 -2.007) 6.254 10.197 ( 0.054 1.844 -5.333) 5.643 10.487 ( 5.280 10.088 5.354) 12.582 10.519 ( -4.516 -1.068 5.779) 7.412 10.740 ( -1.410 0.489 -4.414) 4.659 10.805 ( -0.511 4.776 -5.052) 6.971 10.852 ( 2.926 8.022 4.732) 9.762 11.024 ( 5.013 1.737 -1.115) 5.422 11.143 ( 0.732 3.464 1.898) 4.018 11.218 ( 3.756 1.350 0.293) 4.002 11.413 ( 1.605 2.953 3.564) 4.899 11.544 ( -1.084 8.810 -1.306) 8.973 11.655 ( 0.900 0.061 3.054) 3.184 11.735 ( 0.882 -2.757 0.234) 2.904 11.792 ( 2.019 -2.574 0.835) 3.377 11.920 ( 0.434 0.514 -1.352) 1.510 12.088 ( -2.886 -2.113 0.630) 3.632 12.258 ( 12.730 -1.818 -2.270) 13.058 12.287 ( 6.045 -8.461 9.465) 14.061 12.419 ( 7.215 -3.169 2.100) 8.155 12.598 ( -0.277 -10.522 -1.871) 10.690 12.668 ( 2.135 -3.835 -3.838) 5.831 12.896 ( 2.218 -1.567 2.114) 3.441 13.044 ( 3.861 -4.943 -4.195) 7.546 13.434 ( 6.201 2.369 3.578) 7.541 13.645 ( -8.111 1.678 0.421) 8.293 13.757 ( 0.758 1.617 -0.616) 1.889 13.809 ( -5.636 -3.279 1.112) 6.614 13.936 ( -10.402 0.178 2.173) 10.628 14.126 ( -6.163 2.732 -5.159) 8.489 ======================= Grid point 137 (46/84) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 14.743 -24.427 23.981) 37.271 3.196 ( 19.963 -25.060 24.157) 40.126 3.915 ( -4.950 6.762 0.269) 8.384 4.048 ( 6.579 -15.332 -18.574) 24.967 4.251 ( 2.331 -1.541 -7.866) 8.348 4.396 ( -8.802 5.683 17.534) 20.426 4.733 ( -1.529 9.290 -7.942) 12.317 5.016 ( 10.623 -11.332 16.466) 22.636 5.144 ( -4.138 2.079 -8.415) 9.605 5.487 ( 12.441 2.810 -0.611) 12.769 5.591 ( 9.742 1.204 -1.077) 9.875 5.750 ( -3.776 -8.120 8.971) 12.676 5.836 ( -3.226 -2.612 9.501) 10.368 5.992 ( -12.260 -6.474 -2.947) 14.174 6.157 ( 1.628 8.165 3.303) 8.957 6.206 ( -7.882 -4.945 3.501) 9.941 6.290 ( 1.664 3.189 -2.940) 4.646 6.557 ( -3.128 7.934 -6.191) 10.539 6.751 ( -3.963 1.379 -1.956) 4.629 6.958 ( 2.711 -5.373 -12.504) 13.877 7.017 ( -4.679 11.783 -1.136) 12.729 7.089 ( 0.900 4.833 -0.502) 4.941 7.213 ( 2.235 4.879 -3.535) 6.426 7.351 ( -3.365 7.240 -6.755) 10.459 7.652 ( 20.929 -0.162 -0.191) 20.931 7.703 ( 7.762 1.156 -2.249) 8.163 7.795 ( 3.622 1.889 -2.057) 4.574 7.820 ( 8.121 -0.214 -1.737) 8.308 7.965 ( -5.016 -3.559 3.411) 7.033 8.139 ( 0.595 -1.146 -2.997) 3.263 8.275 ( 0.052 -5.291 3.645) 6.425 8.348 ( 2.685 -3.953 -0.795) 4.845 8.432 ( -5.627 2.890 1.789) 6.574 8.528 ( 1.567 4.175 -2.262) 5.000 8.704 ( -4.187 1.749 4.753) 6.571 8.817 ( -15.195 5.132 1.021) 16.070 8.938 ( 4.292 3.729 5.942) 8.224 9.269 ( 7.972 6.479 -5.123) 11.479 9.402 ( -19.425 -3.859 3.526) 20.116 9.594 ( -22.657 -6.807 -1.869) 23.731 9.775 ( 5.835 -2.376 1.360) 6.445 9.886 ( -9.428 -7.426 2.383) 12.236 10.053 ( 0.438 -1.298 -7.038) 7.170 10.204 ( -0.056 -3.038 -8.105) 8.656 10.361 ( 3.591 11.105 6.168) 13.201 10.547 ( -0.672 1.984 2.538) 3.291 10.641 ( 2.277 8.244 -4.649) 9.735 10.744 ( -0.744 -0.126 -3.162) 3.251 10.797 ( -0.891 0.353 0.341) 1.017 10.950 ( -5.245 4.960 -3.368) 7.965 11.100 ( 2.243 1.519 -0.183) 2.715 11.262 ( 2.692 7.465 -6.404) 10.197 11.434 ( 6.382 -2.336 3.559) 7.672 11.478 ( 4.308 0.509 2.581) 5.047 11.655 ( -1.998 -0.582 5.302) 5.696 11.766 ( -0.991 0.491 -0.289) 1.143 11.879 ( 3.322 -2.636 2.390) 4.868 11.916 ( -0.548 -0.463 -0.004) 0.717 12.088 ( -2.692 -3.954 0.105) 4.784 12.287 ( -1.211 4.098 -6.365) 7.666 12.452 ( -2.841 -9.085 7.189) 11.929 12.540 ( 7.420 0.591 5.618) 9.326 12.738 ( 0.512 -3.760 -0.635) 3.848 12.755 ( 7.507 -1.730 0.657) 7.731 13.002 ( 8.710 -2.636 5.308) 10.535 13.198 ( 5.516 -5.709 -4.315) 9.035 13.431 ( -2.010 1.830 3.161) 4.170 13.570 ( 2.325 0.901 -0.317) 2.514 13.706 ( -2.615 4.948 -0.672) 5.637 13.777 ( -9.588 1.175 -1.425) 9.764 13.835 ( -4.072 -5.865 0.608) 7.166 14.006 ( -5.954 2.586 -5.353) 8.414 ======================= Grid point 138 (47/84) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.502 ( 12.154 -21.793 17.996) 30.765 3.502 ( -12.154 21.793 17.996) 30.765 3.825 ( 16.586 -22.109 21.802) 35.203 3.825 ( -16.586 22.109 21.802) 35.203 4.419 ( 5.966 -17.011 -17.552) 25.160 4.419 ( -5.966 17.011 -17.552) 25.160 4.692 ( 10.588 -20.514 -16.336) 28.280 4.692 ( -10.588 20.514 -16.336) 28.280 5.626 ( -2.500 -7.776 4.067) 9.125 5.626 ( 2.500 7.776 4.067) 9.125 5.685 ( -14.294 -1.437 4.151) 14.954 5.685 ( 14.294 1.437 4.151) 14.954 5.871 ( 7.325 -19.187 7.512) 21.868 5.871 ( -7.325 19.187 7.512) 21.868 6.033 ( -2.191 -8.088 4.971) 9.743 6.033 ( 2.191 8.088 4.971) 9.743 6.416 ( 5.631 -4.562 8.010) 10.802 6.416 ( -5.631 4.562 8.010) 10.802 6.805 ( 2.772 -8.166 -9.386) 12.747 6.805 ( -2.772 8.166 -9.386) 12.747 7.054 ( -2.427 0.595 -6.634) 7.089 7.054 ( 2.427 -0.595 -6.634) 7.089 7.210 ( 1.465 -4.576 -8.181) 9.488 7.210 ( -1.465 4.576 -8.181) 9.488 7.765 ( -2.086 0.279 0.662) 2.207 7.765 ( 2.086 -0.279 0.662) 2.207 7.859 ( -8.095 -2.155 -3.470) 9.067 7.859 ( 8.095 2.155 -3.470) 9.067 8.064 ( -14.715 1.324 -0.386) 14.780 8.064 ( 14.715 -1.324 -0.386) 14.780 8.317 ( -3.997 0.433 0.693) 4.080 8.317 ( 3.997 -0.433 0.693) 4.080 8.488 ( 2.081 -1.534 -0.247) 2.597 8.488 ( -2.081 1.534 -0.247) 2.597 8.611 ( -2.580 -3.630 1.129) 4.594 8.611 ( 2.580 3.630 1.129) 4.594 9.097 ( -26.785 -6.425 8.893) 28.945 9.097 ( 26.785 6.425 8.893) 28.945 9.433 ( -23.505 -10.317 -5.088) 26.169 9.433 ( 23.505 10.317 -5.088) 26.169 9.857 ( -5.693 -2.083 4.143) 7.342 9.857 ( 5.693 2.083 4.143) 7.342 10.165 ( 0.376 -9.217 -3.640) 9.917 10.165 ( -0.376 9.217 -3.640) 9.917 10.370 ( 1.768 -9.655 -2.103) 10.038 10.370 ( -1.768 9.655 -2.103) 10.038 10.694 ( 0.833 -2.791 -1.017) 3.085 10.694 ( -0.833 2.791 -1.017) 3.085 10.833 ( -1.027 -2.737 -2.978) 4.173 10.833 ( 1.027 2.737 -2.978) 4.173 11.150 ( 0.191 -5.518 -3.719) 6.657 11.150 ( -0.191 5.518 -3.719) 6.657 11.522 ( -1.801 0.388 3.444) 3.906 11.522 ( 1.801 -0.388 3.444) 3.906 11.687 ( 3.386 -3.014 0.943) 4.630 11.687 ( -3.386 3.014 0.943) 4.630 11.920 ( -0.882 -0.519 3.054) 3.221 11.920 ( 0.882 0.519 3.054) 3.221 12.171 ( 1.202 -6.679 -3.926) 7.840 12.171 ( -1.202 6.679 -3.926) 7.840 12.541 ( -5.774 -8.141 7.043) 12.216 12.541 ( 5.774 8.141 7.043) 12.216 12.793 ( -8.147 -7.958 -0.969) 11.430 12.793 ( 8.147 7.958 -0.969) 11.430 13.179 ( -11.034 0.130 4.774) 12.023 13.179 ( 11.034 -0.130 4.774) 12.023 13.514 ( -1.425 -3.241 -1.203) 3.740 13.514 ( 1.425 3.241 -1.203) 3.740 13.657 ( -3.398 -1.070 -1.459) 3.850 13.657 ( 3.398 1.070 -1.459) 3.850 13.906 ( 0.882 -4.543 -3.382) 5.732 13.906 ( -0.882 4.543 -3.382) 5.732 ======================= Grid point 144 (48/84) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 20.959 0.000 33.452) 39.476 2.119 ( 20.339 0.000 35.445) 40.866 3.398 ( 11.950 0.000 -10.832) 16.129 3.520 ( 24.428 0.000 38.330) 45.453 3.600 ( 4.407 0.000 -35.213) 35.488 4.618 ( 4.327 0.000 15.018) 15.629 5.021 ( 0.991 0.000 7.666) 7.729 5.184 ( -2.185 -0.000 14.171) 14.338 5.260 ( -1.196 -0.000 8.364) 8.449 5.394 ( 3.934 0.000 -2.548) 4.687 5.544 ( 1.018 0.000 2.183) 2.409 5.657 ( 4.202 0.000 -27.417) 27.737 5.827 ( -6.619 -0.000 -7.235) 9.806 5.851 ( -6.662 -0.000 2.610) 7.155 6.099 ( -4.329 -0.000 4.789) 6.455 6.313 ( -3.970 -0.000 -18.383) 18.807 6.436 ( -4.395 -0.000 -13.384) 14.087 6.518 ( -17.618 -0.000 -2.001) 17.732 7.025 ( 0.064 0.000 3.437) 3.437 7.080 ( 7.110 0.000 -2.540) 7.550 7.252 ( 6.453 0.000 -1.495) 6.624 7.303 ( 4.274 0.000 -0.520) 4.306 7.450 ( 1.744 0.000 1.235) 2.137 7.507 ( 9.426 0.000 3.727) 10.136 7.533 ( 10.099 0.000 0.266) 10.103 7.651 ( -1.793 -0.000 0.569) 1.881 7.696 ( -0.841 -0.000 2.999) 3.115 7.723 ( 1.450 0.000 0.069) 1.451 7.924 ( 0.730 0.000 7.569) 7.604 8.085 ( -1.517 -0.000 5.612) 5.813 8.134 ( 2.446 0.000 2.132) 3.245 8.208 ( -1.723 -0.000 -6.014) 6.256 8.559 ( 3.421 0.000 -0.172) 3.425 8.565 ( 12.262 0.000 3.124) 12.654 8.803 ( -6.314 -0.000 -0.503) 6.334 9.035 ( -8.659 -0.000 -5.898) 10.477 9.078 ( -7.228 -0.000 11.117) 13.261 9.452 ( -2.376 -0.000 -5.343) 5.848 9.621 ( -28.257 -0.000 -0.491) 28.262 9.664 ( -5.053 -0.000 -11.884) 12.913 9.707 ( 11.335 0.000 -15.849) 19.485 9.737 ( -29.922 -0.000 -2.875) 30.060 10.196 ( -7.854 -0.000 1.134) 7.936 10.273 ( -1.119 -0.000 -3.805) 3.966 10.521 ( 0.431 0.000 4.214) 4.236 10.681 ( 2.687 0.000 3.020) 4.042 10.775 ( -1.921 -0.000 -2.187) 2.910 10.840 ( -4.000 -0.000 0.294) 4.011 10.995 ( 16.553 0.000 2.636) 16.761 11.119 ( 7.453 0.000 -1.078) 7.531 11.220 ( 4.731 0.000 3.511) 5.892 11.313 ( 3.577 0.000 1.781) 3.996 11.484 ( -2.825 -0.000 2.453) 3.741 11.535 ( -0.161 -0.000 10.378) 10.379 11.647 ( -6.074 -0.000 -5.116) 7.942 11.727 ( 0.956 0.000 7.115) 7.179 11.834 ( -2.516 -0.000 -0.931) 2.683 11.938 ( -2.045 -0.000 -1.941) 2.820 12.010 ( -2.588 -0.000 4.862) 5.508 12.231 ( 1.156 0.000 -7.498) 7.586 12.254 ( 18.019 0.000 -0.116) 18.019 12.280 ( -3.939 -0.000 -4.901) 6.288 12.362 ( 6.684 0.000 -0.252) 6.689 12.426 ( 16.566 0.000 0.181) 16.567 12.905 ( -1.492 -0.000 -1.402) 2.047 12.928 ( 2.437 0.000 -0.039) 2.437 13.473 ( 6.667 0.000 4.888) 8.267 13.647 ( -15.791 -0.000 6.704) 17.155 13.765 ( -5.478 -0.000 0.787) 5.534 13.793 ( 4.326 0.000 -5.577) 7.058 13.937 ( -9.646 -0.000 5.450) 11.079 14.181 ( -6.413 -0.000 -5.634) 8.536 ======================= Grid point 145 (49/84) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 23.928 -9.656 28.321) 38.313 2.535 ( 25.714 -14.807 26.118) 39.530 3.596 ( 9.983 -9.889 -26.790) 30.251 3.713 ( 6.134 -5.962 -30.476) 31.653 4.037 ( 34.456 -14.646 46.971) 60.067 4.569 ( 1.084 12.057 13.947) 18.468 5.005 ( -5.372 14.030 16.506) 22.319 5.089 ( 3.723 -3.762 6.149) 8.113 5.250 ( -2.654 2.029 -6.435) 7.250 5.451 ( 1.844 -2.020 6.042) 6.632 5.592 ( -2.113 -1.480 -6.470) 6.966 5.634 ( -3.856 -4.655 6.746) 9.058 5.749 ( -6.464 0.833 -4.780) 8.082 5.825 ( -5.369 -5.801 -1.633) 8.071 6.063 ( -4.970 4.229 -4.095) 7.704 6.196 ( -1.333 -1.412 -17.413) 17.521 6.263 ( -14.839 0.925 -4.826) 15.631 6.541 ( -3.200 -12.571 -13.380) 18.636 6.945 ( -0.131 10.412 2.683) 10.753 7.100 ( 1.764 5.338 -3.833) 6.804 7.280 ( 1.321 6.767 -1.013) 6.968 7.308 ( 4.429 2.595 0.146) 5.135 7.390 ( 0.642 7.045 2.275) 7.431 7.570 ( -1.799 5.108 -0.416) 5.432 7.674 ( 11.138 1.083 2.913) 11.564 7.710 ( 11.055 -3.026 1.281) 11.533 7.736 ( 0.635 -0.769 0.699) 1.218 7.758 ( 6.436 -4.849 0.672) 8.086 7.936 ( -0.289 0.225 3.313) 3.333 8.072 ( -2.041 -1.566 1.700) 3.084 8.159 ( -0.704 -2.792 -0.387) 2.906 8.252 ( 7.479 -1.125 -4.411) 8.756 8.520 ( -6.069 2.180 2.211) 6.818 8.644 ( -0.852 2.576 -3.815) 4.681 8.697 ( -8.994 -1.438 5.967) 10.889 8.915 ( -10.720 1.517 -2.615) 11.138 9.057 ( 7.522 3.220 12.247) 14.729 9.205 ( -33.169 -2.648 3.696) 33.479 9.326 ( -29.760 -4.226 -3.896) 30.310 9.485 ( 1.709 -2.319 -4.836) 5.629 9.697 ( 0.576 -2.354 -7.428) 7.813 9.831 ( 12.658 4.267 -15.752) 20.653 10.118 ( -2.697 1.515 -0.153) 3.097 10.234 ( -0.373 3.179 -4.855) 5.815 10.530 ( 3.227 2.613 3.493) 5.426 10.672 ( 1.545 4.697 4.725) 6.839 10.754 ( 2.062 1.387 -5.926) 6.426 10.790 ( -4.026 -0.167 0.440) 4.054 11.080 ( 2.783 13.574 1.501) 13.937 11.129 ( 4.093 6.466 0.284) 7.658 11.242 ( 5.516 2.533 2.648) 6.622 11.313 ( 6.744 1.031 1.226) 6.931 11.469 ( 0.264 2.969 3.440) 4.552 11.547 ( -1.553 -3.173 2.320) 4.227 11.674 ( -0.595 -4.435 0.645) 4.521 11.739 ( 3.168 -0.670 4.583) 5.612 11.766 ( -2.466 3.038 -3.279) 5.105 11.934 ( -0.972 -0.507 0.410) 1.170 12.016 ( -3.722 -4.224 1.711) 5.884 12.095 ( -4.472 0.635 1.862) 4.886 12.297 ( -5.952 -8.394 -6.467) 12.153 12.406 ( -1.840 -6.786 -6.745) 9.744 12.596 ( 17.197 -0.071 4.001) 17.657 12.702 ( 13.833 -6.648 0.962) 15.377 12.916 ( 4.763 -0.734 1.995) 5.216 13.012 ( 5.059 -4.467 -0.832) 6.800 13.454 ( -11.653 0.307 8.413) 14.376 13.559 ( 2.802 -0.560 0.654) 2.932 13.716 ( -2.304 -1.311 0.964) 2.821 13.789 ( -11.493 0.872 4.498) 12.373 13.827 ( 0.280 1.233 -3.612) 3.827 14.083 ( -6.039 1.680 -7.200) 9.546 ======================= Grid point 146 (50/84) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 23.563 -15.144 22.529) 35.946 3.143 ( 26.920 -19.679 21.138) 39.481 3.921 ( 7.088 -8.603 -23.184) 25.725 3.941 ( 12.082 -13.641 -17.413) 25.205 4.315 ( -2.655 14.169 10.748) 17.982 4.532 ( 1.745 14.746 23.946) 28.176 4.811 ( 13.152 -7.284 17.668) 23.199 5.037 ( 1.721 6.565 -4.574) 8.184 5.176 ( -6.428 5.488 -3.797) 9.266 5.529 ( -8.924 -5.130 0.328) 10.299 5.546 ( -3.813 -7.956 3.624) 9.538 5.629 ( -3.986 -4.528 0.168) 6.035 5.767 ( -1.112 -0.931 2.126) 2.573 5.785 ( -3.395 -0.888 -2.847) 4.519 5.961 ( -17.462 -5.019 2.294) 18.313 6.114 ( 1.035 -10.533 11.638) 15.731 6.410 ( 13.050 -2.613 -21.785) 25.529 6.654 ( -7.117 -4.335 -1.139) 8.411 6.728 ( -1.705 12.157 -3.723) 12.828 6.988 ( 0.596 8.309 -7.543) 11.238 7.156 ( -2.357 6.592 1.668) 7.197 7.201 ( -1.466 11.874 0.946) 12.002 7.310 ( 1.132 4.517 -3.012) 5.545 7.442 ( -1.819 8.149 -5.100) 9.784 7.733 ( -2.275 -2.324 2.270) 3.966 7.746 ( -0.578 -1.302 1.212) 1.871 7.797 ( -7.111 -0.431 -0.366) 7.133 7.917 ( 3.705 1.445 -5.278) 6.609 8.016 ( 17.112 -2.689 2.861) 17.557 8.078 ( -1.689 -1.673 0.603) 2.453 8.225 ( 0.263 -5.414 0.981) 5.508 8.336 ( 0.440 2.610 -0.650) 2.726 8.460 ( 8.822 0.329 0.037) 8.828 8.536 ( -9.285 -0.382 1.390) 9.396 8.575 ( -8.624 2.227 -0.319) 8.912 8.724 ( -9.746 3.031 -2.327) 10.468 8.870 ( -25.549 -7.166 6.380) 27.291 9.102 ( -24.779 -9.430 -3.546) 26.749 9.257 ( 23.081 2.654 12.285) 26.281 9.595 ( 8.398 -2.481 -2.935) 9.235 9.761 ( 2.572 -2.760 0.573) 3.816 9.910 ( 12.657 4.853 -10.192) 16.960 10.067 ( -0.829 2.003 -4.696) 5.173 10.185 ( -0.523 1.880 -6.646) 6.926 10.508 ( 0.827 4.680 7.302) 8.712 10.639 ( 4.770 2.941 -0.373) 5.616 10.749 ( -3.455 -0.835 0.537) 3.595 10.775 ( 4.296 1.840 -4.938) 6.799 10.849 ( -0.659 15.007 -0.753) 15.040 10.987 ( -3.317 9.138 -3.406) 10.300 11.187 ( 0.727 6.601 4.115) 7.812 11.436 ( 4.571 7.319 -6.419) 10.755 11.459 ( 2.811 -1.790 3.728) 5.000 11.510 ( 0.361 -0.066 0.901) 0.973 11.632 ( -2.378 0.854 5.807) 6.333 11.741 ( -3.488 -1.248 -0.036) 3.704 11.868 ( 4.714 -3.844 1.232) 6.206 11.913 ( 0.502 1.384 -0.645) 1.607 12.019 ( -0.943 -2.734 3.945) 4.891 12.169 ( -3.744 -12.307 4.699) 13.695 12.328 ( -4.569 -2.587 -8.295) 9.817 12.461 ( -5.769 -8.058 -4.514) 10.890 12.722 ( 5.763 1.190 6.127) 8.496 12.912 ( 6.775 -3.162 0.574) 7.498 13.055 ( 8.410 -3.036 3.041) 9.444 13.131 ( -0.354 -4.249 0.628) 4.310 13.369 ( -1.387 -2.803 7.113) 7.770 13.544 ( -10.647 -2.273 1.733) 11.024 13.639 ( -3.547 1.256 -2.616) 4.583 13.738 ( -8.190 2.926 -3.960) 9.557 13.794 ( 6.473 -2.220 1.989) 7.126 14.022 ( 1.560 2.397 -7.034) 7.593 ======================= Grid point 147 (51/84) ======================= q-point: ( 0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( 20.967 -15.642 17.184) 31.298 3.761 ( 8.207 0.823 18.829) 20.557 3.779 ( 11.452 6.792 15.336) 20.309 4.038 ( -7.721 23.560 19.012) 31.243 4.271 ( 6.299 -10.700 -14.521) 19.106 4.509 ( 12.168 -20.832 -12.858) 27.338 4.631 ( -5.139 18.615 -15.523) 24.777 4.869 ( -8.674 16.555 -16.239) 24.759 5.386 ( -9.364 -7.898 2.670) 12.538 5.404 ( -20.258 -4.112 -0.465) 20.676 5.588 ( 3.932 -17.532 9.374) 20.265 5.715 ( -16.223 -8.036 5.222) 18.842 5.764 ( 1.137 -10.051 7.964) 12.874 5.886 ( 13.195 -1.066 3.334) 13.651 6.003 ( 8.113 -8.459 3.749) 12.306 6.165 ( -5.899 20.687 10.037) 23.738 6.452 ( 7.289 -7.416 11.612) 15.587 6.525 ( -2.034 11.471 5.150) 12.737 6.727 ( 4.890 -6.940 -16.323) 18.398 6.861 ( -5.245 6.755 -8.788) 12.262 7.036 ( -5.050 2.193 0.514) 5.529 7.121 ( 6.110 3.391 -10.040) 12.233 7.219 ( -0.811 4.377 -5.013) 6.704 7.296 ( -0.974 7.550 -9.101) 11.865 7.638 ( -15.330 -1.641 -2.641) 15.642 7.686 ( -14.303 1.042 -1.809) 14.455 7.738 ( -3.840 -0.343 0.816) 3.941 7.819 ( -8.343 0.036 -2.884) 8.827 8.084 ( 4.958 2.267 1.658) 5.698 8.152 ( -2.040 -0.329 -0.533) 2.134 8.306 ( -2.372 -4.849 1.436) 5.586 8.374 ( 3.883 -0.695 -0.018) 3.945 8.432 ( -6.099 -1.002 2.297) 6.593 8.479 ( -2.543 2.252 0.777) 3.485 8.589 ( 5.415 -3.889 4.610) 8.106 8.687 ( 0.872 -1.696 4.458) 4.848 8.833 ( 13.066 -3.240 -4.921) 14.333 8.971 ( -18.590 -8.968 -4.900) 21.213 9.532 ( 24.407 1.223 9.432) 26.194 9.736 ( 6.850 -2.002 1.023) 7.209 9.823 ( 6.545 1.776 6.384) 9.314 9.990 ( 8.971 3.101 -4.263) 10.405 10.067 ( -0.000 -2.401 -3.210) 4.009 10.186 ( -0.479 -3.562 -9.820) 10.458 10.405 ( 1.056 8.162 5.146) 9.706 10.557 ( 0.456 14.843 -2.177) 15.009 10.723 ( -1.813 1.695 -0.159) 2.488 10.744 ( 3.187 -1.398 -2.083) 4.056 10.772 ( 1.209 3.207 -1.913) 3.925 10.872 ( 1.698 1.685 -5.174) 5.701 11.122 ( 0.853 1.557 0.008) 1.775 11.264 ( -1.708 10.082 -5.617) 11.667 11.486 ( -5.150 1.288 4.878) 7.210 11.509 ( -2.791 -0.290 2.026) 3.461 11.674 ( -1.679 -0.213 1.714) 2.409 11.696 ( 3.156 -2.760 -0.099) 4.193 11.894 ( -1.779 -0.416 3.456) 3.909 11.928 ( -0.379 0.026 3.889) 3.908 12.101 ( 2.416 -4.981 -1.076) 5.640 12.258 ( 1.005 3.030 -5.534) 6.388 12.343 ( -1.488 -8.506 2.471) 8.982 12.511 ( -9.297 -9.203 -1.922) 13.222 12.728 ( 2.030 3.943 7.250) 8.499 12.949 ( -2.812 2.054 0.294) 3.495 13.049 ( -4.315 1.037 6.545) 7.908 13.243 ( 3.428 -4.936 -1.559) 6.208 13.381 ( -12.761 -0.869 2.765) 13.086 13.487 ( -0.326 -3.906 1.689) 4.268 13.570 ( -7.379 -0.371 -1.763) 7.595 13.697 ( 7.365 -2.936 -3.916) 8.843 13.934 ( 8.853 -2.180 -1.513) 9.242 14.017 ( 4.810 4.053 -4.555) 7.766 ======================= Grid point 148 (52/84) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( -6.310 29.694 20.846) 36.826 3.423 ( -11.483 28.853 23.208) 38.768 3.912 ( 16.757 -9.810 10.629) 22.136 4.230 ( 4.101 8.166 -5.602) 10.718 4.277 ( -1.043 7.711 -13.894) 15.924 4.511 ( 7.313 1.688 -0.064) 7.505 4.627 ( 6.605 -7.149 -14.070) 17.108 4.945 ( 0.891 -10.022 -0.964) 10.107 5.226 ( -17.553 3.986 1.965) 18.107 5.242 ( -5.831 -8.770 -3.452) 11.083 5.468 ( -13.590 8.825 11.100) 19.641 5.730 ( -13.933 5.522 11.656) 18.986 5.828 ( -10.747 -16.894 3.304) 20.294 5.999 ( 9.518 4.353 9.577) 14.186 6.152 ( 14.684 -11.442 1.344) 18.664 6.302 ( 12.350 -4.419 -1.522) 13.205 6.332 ( -0.818 7.125 8.378) 11.028 6.569 ( 0.885 5.324 -5.857) 7.965 6.766 ( -0.089 -5.134 -0.820) 5.200 6.915 ( 5.268 -8.024 -7.937) 12.455 6.965 ( -3.920 2.046 -5.221) 6.842 7.079 ( 0.070 1.467 -3.880) 4.148 7.166 ( 0.010 3.110 -7.648) 8.256 7.309 ( 4.238 -3.915 -6.781) 8.903 7.422 ( -16.396 2.452 -2.257) 16.731 7.504 ( -13.509 -4.623 -6.525) 15.699 7.684 ( -6.910 -1.475 0.044) 7.066 7.755 ( -4.784 -0.859 -3.851) 6.202 8.093 ( 4.536 4.130 3.182) 6.911 8.133 ( -2.232 -1.462 2.537) 3.682 8.287 ( -7.730 -1.996 4.232) 9.036 8.358 ( -2.266 1.837 2.601) 3.908 8.394 ( -5.970 -1.247 -0.826) 6.155 8.442 ( -1.839 -1.298 -2.050) 3.044 8.584 ( -3.842 -2.612 5.104) 6.902 8.880 ( -10.163 -7.596 -7.478) 14.728 8.997 ( 23.446 -5.926 2.706) 24.334 9.131 ( 21.402 -0.941 -3.563) 21.717 9.726 ( 0.600 -1.535 6.251) 6.464 9.810 ( 12.051 8.665 5.972) 16.000 9.905 ( 13.577 1.190 2.593) 13.873 10.067 ( 9.254 1.332 -2.137) 9.591 10.106 ( -6.069 -8.039 0.927) 10.115 10.167 ( 2.089 6.690 -4.150) 8.145 10.359 ( 2.535 10.433 -3.331) 11.241 10.444 ( 4.436 -8.414 -5.613) 11.045 10.640 ( -2.875 3.117 1.544) 4.513 10.744 ( -2.867 -0.741 -2.440) 3.837 10.819 ( 7.371 1.244 0.196) 7.478 10.935 ( 4.606 -2.166 -4.267) 6.642 11.111 ( 0.309 4.603 -2.083) 5.061 11.180 ( 1.975 -2.333 -4.510) 5.448 11.386 ( -6.869 2.269 3.184) 7.904 11.407 ( -6.321 0.572 3.258) 7.134 11.678 ( 0.145 -0.480 4.121) 4.152 11.769 ( 0.780 -0.735 0.119) 1.079 11.846 ( -5.469 0.580 3.541) 6.541 11.918 ( -0.474 0.005 2.111) 2.164 12.182 ( 0.852 -1.974 -4.467) 4.958 12.224 ( 0.351 2.898 -5.694) 6.399 12.382 ( -8.609 -1.413 6.076) 10.631 12.498 ( -7.820 -4.852 1.350) 9.301 12.661 ( -0.803 4.503 7.517) 8.800 12.891 ( -0.834 -0.141 -0.938) 1.263 12.971 ( -0.316 6.001 5.274) 7.996 13.185 ( -7.162 5.188 -3.815) 9.631 13.326 ( -8.270 -4.252 0.069) 9.299 13.469 ( -4.601 -8.533 -3.695) 10.375 13.671 ( 5.881 -4.130 5.258) 8.905 13.856 ( 7.927 -3.874 -2.660) 9.216 13.997 ( 5.139 5.632 -1.155) 7.711 14.071 ( 7.602 -1.164 -3.850) 8.600 ======================= Grid point 149 (53/84) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -3.568 29.991 26.522) 40.194 2.821 ( -9.718 30.240 26.926) 41.640 3.906 ( -2.882 19.596 -23.634) 30.836 3.930 ( -2.505 14.432 -29.166) 32.637 4.328 ( 0.627 13.122 24.694) 27.971 4.378 ( 0.281 12.162 16.944) 20.859 4.885 ( 2.373 -7.609 0.477) 7.985 4.957 ( -0.619 -7.549 6.590) 10.040 5.037 ( 5.968 -5.367 7.189) 10.775 5.343 ( -8.824 -6.720 0.922) 11.130 5.463 ( -11.398 0.642 12.821) 17.167 5.616 ( 7.945 -13.193 -10.277) 18.514 5.936 ( -2.615 -1.315 1.622) 3.347 5.986 ( -3.952 -3.999 6.252) 8.408 6.178 ( 4.050 7.288 -4.433) 9.443 6.281 ( -1.736 7.953 -5.350) 9.741 6.490 ( 9.077 -3.117 -6.391) 11.530 6.631 ( 1.465 -8.444 -7.919) 11.669 6.829 ( 1.722 -1.415 -1.641) 2.768 6.886 ( -2.062 0.362 -2.967) 3.631 7.032 ( -3.734 -2.577 -5.288) 6.968 7.124 ( 2.040 -2.173 -6.038) 6.734 7.212 ( -1.809 -4.491 3.093) 5.745 7.238 ( -2.111 -4.405 3.554) 6.041 7.454 ( -0.122 -3.861 -4.109) 5.640 7.462 ( -2.862 -7.092 -6.690) 10.161 7.620 ( -7.373 -2.447 -0.312) 7.775 7.738 ( -1.928 -2.309 -5.777) 6.513 8.074 ( 3.386 4.887 6.419) 8.749 8.144 ( -0.531 -2.567 4.819) 5.486 8.217 ( -3.508 1.737 4.911) 6.281 8.272 ( -1.500 4.156 4.399) 6.235 8.366 ( -7.263 -4.076 -1.601) 8.481 8.396 ( -4.654 0.887 -1.851) 5.086 8.626 ( 0.805 -4.011 2.310) 4.698 8.918 ( -4.314 -9.401 -11.209) 15.252 9.331 ( 15.927 1.017 0.917) 15.986 9.375 ( 14.710 -2.909 -0.458) 15.002 9.685 ( 0.097 4.442 4.069) 6.025 9.736 ( 4.088 9.604 1.641) 10.566 9.993 ( -4.929 -3.371 0.020) 5.971 10.137 ( 1.512 -3.393 -5.397) 6.551 10.166 ( 2.024 -3.023 2.452) 4.388 10.197 ( 11.238 5.362 -4.822) 13.353 10.341 ( 6.137 -1.279 1.826) 6.530 10.584 ( -3.486 -3.820 -0.145) 5.174 10.650 ( 0.273 -8.333 -8.344) 11.796 10.727 ( -0.030 -1.946 -1.690) 2.578 10.885 ( 8.043 3.255 5.093) 10.061 10.981 ( 3.944 1.780 -1.309) 4.521 11.134 ( 5.106 -1.238 2.111) 5.662 11.194 ( -0.393 1.000 1.099) 1.537 11.341 ( -3.974 -2.124 1.355) 4.706 11.405 ( 0.994 -7.892 -2.116) 8.231 11.636 ( -8.054 0.684 4.493) 9.248 11.731 ( -2.404 1.148 4.378) 5.125 11.794 ( -1.149 1.054 -2.354) 2.824 11.901 ( -2.325 0.636 -0.385) 2.441 12.038 ( -16.667 4.050 3.196) 17.447 12.194 ( 4.697 5.138 -2.560) 7.417 12.323 ( -2.836 0.835 2.592) 3.932 12.436 ( -4.829 2.463 1.249) 5.562 12.634 ( 1.324 -0.716 3.659) 3.957 12.810 ( 0.069 9.603 -0.437) 9.614 12.928 ( 1.376 2.945 0.018) 3.250 13.051 ( -2.660 2.480 -4.748) 5.981 13.302 ( -5.641 -4.751 3.962) 8.372 13.569 ( -2.077 -7.906 -6.193) 10.256 13.792 ( 4.851 -2.496 5.891) 8.029 13.934 ( 3.377 4.684 -0.365) 5.786 14.020 ( 5.082 -2.061 0.435) 5.501 14.162 ( 4.267 -0.896 -4.904) 6.562 ======================= Grid point 150 (54/84) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 0.000 25.078 33.411) 41.775 2.286 ( 0.000 28.223 31.856) 42.559 3.582 ( 0.000 19.692 -14.167) 24.259 3.712 ( 0.000 10.744 -34.643) 36.271 3.738 ( 0.000 32.002 33.975) 46.674 4.496 ( -0.000 -4.060 14.588) 15.142 4.930 ( -0.000 -5.051 5.126) 7.196 5.139 ( -0.000 -8.834 -9.627) 13.066 5.246 ( 0.000 0.229 18.543) 18.544 5.278 ( -0.000 -3.847 21.477) 21.819 5.425 ( -0.000 -5.603 -9.715) 11.215 5.744 ( 0.000 7.069 -25.808) 26.758 5.862 ( 0.000 0.447 4.521) 4.543 6.106 ( 0.000 6.271 -9.449) 11.340 6.108 ( -0.000 -6.247 15.102) 16.343 6.233 ( -0.000 -6.247 -12.034) 13.558 6.518 ( 0.000 2.685 -12.056) 12.351 6.739 ( -0.000 -3.139 -11.621) 12.038 6.887 ( -0.000 -1.692 5.683) 5.930 6.938 ( -0.000 -7.615 -1.522) 7.765 7.015 ( -0.000 -3.552 -4.182) 5.486 7.162 ( -0.000 -1.554 -4.446) 4.710 7.233 ( -0.000 -3.475 4.377) 5.588 7.359 ( -0.000 -5.376 6.711) 8.599 7.473 ( -0.000 -2.498 -6.876) 7.316 7.598 ( -0.000 -5.483 -2.289) 5.942 7.607 ( -0.000 -4.281 1.431) 4.513 7.753 ( -0.000 -0.201 -4.104) 4.109 8.020 ( 0.000 4.758 9.806) 10.899 8.148 ( 0.000 2.588 5.999) 6.534 8.176 ( 0.000 3.449 6.279) 7.164 8.231 ( -0.000 -3.012 4.681) 5.566 8.335 ( 0.000 1.551 -4.260) 4.533 8.362 ( -0.000 -2.526 -1.693) 3.041 8.710 ( -0.000 -5.947 2.553) 6.472 9.043 ( -0.000 -8.835 -13.959) 16.520 9.340 ( 0.000 6.755 3.399) 7.562 9.507 ( -0.000 -2.006 -2.576) 3.264 9.605 ( 0.000 5.330 -2.943) 6.089 9.698 ( 0.000 1.634 -2.775) 3.220 10.047 ( -0.000 -8.830 3.477) 9.490 10.121 ( 0.000 6.784 -4.220) 7.990 10.208 ( -0.000 -3.739 -3.841) 5.361 10.251 ( 0.000 1.430 -5.288) 5.478 10.472 ( -0.000 -7.966 3.425) 8.671 10.591 ( -0.000 -5.091 5.428) 7.442 10.773 ( -0.000 -7.921 -7.528) 10.928 10.815 ( -0.000 -4.159 -1.707) 4.496 10.894 ( 0.000 1.830 5.584) 5.876 11.017 ( 0.000 2.774 0.086) 2.776 11.116 ( 0.000 3.503 4.607) 5.788 11.199 ( 0.000 1.486 0.845) 1.710 11.384 ( -0.000 -7.947 4.233) 9.004 11.547 ( -0.000 -0.468 6.391) 6.408 11.598 ( -0.000 -12.917 -5.542) 14.056 11.714 ( -0.000 -0.196 2.532) 2.539 11.756 ( 0.000 1.716 -0.052) 1.717 11.842 ( 0.000 0.693 -1.656) 1.795 11.875 ( 0.000 3.783 4.060) 5.549 12.135 ( 0.000 5.618 -2.640) 6.207 12.240 ( 0.000 5.348 3.019) 6.141 12.334 ( 0.000 8.141 5.672) 9.923 12.631 ( 0.000 6.853 -5.225) 8.618 12.665 ( 0.000 7.324 -3.893) 8.294 12.891 ( 0.000 0.056 0.306) 0.311 13.007 ( 0.000 3.471 -3.941) 5.252 13.331 ( -0.000 -3.252 5.982) 6.809 13.652 ( -0.000 -4.698 -7.157) 8.561 13.846 ( 0.000 0.423 4.634) 4.653 13.903 ( 0.000 0.856 2.920) 3.042 14.079 ( -0.000 -0.253 -0.072) 0.263 14.211 ( -0.000 -2.256 -4.526) 5.057 ======================= Grid point 153 (55/84) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 29.428 0.000 20.660) 35.956 2.754 ( 29.482 0.000 22.181) 36.894 3.649 ( 11.729 0.000 -24.203) 26.895 3.758 ( 8.762 0.000 -25.390) 26.859 4.388 ( 37.323 0.000 42.536) 56.589 4.754 ( 6.200 0.000 10.711) 12.376 5.049 ( 0.560 0.000 9.307) 9.324 5.089 ( -5.070 -0.000 10.151) 11.347 5.211 ( -3.013 -0.000 3.506) 4.623 5.413 ( -15.164 -0.000 -0.452) 15.171 5.532 ( 4.687 0.000 -2.168) 5.164 5.580 ( 0.599 0.000 11.980) 11.995 5.588 ( -16.747 -0.000 8.086) 18.596 5.690 ( -4.209 -0.000 -8.717) 9.680 5.942 ( -24.553 -0.000 0.504) 24.558 6.174 ( -1.187 -0.000 -15.427) 15.473 6.221 ( -6.495 -0.000 -12.239) 13.855 6.379 ( 9.923 0.000 -23.515) 25.523 7.035 ( -0.411 -0.000 1.518) 1.572 7.154 ( 0.231 0.000 -2.554) 2.564 7.299 ( -7.184 -0.000 2.110) 7.487 7.397 ( 2.984 0.000 -0.709) 3.067 7.446 ( 0.867 0.000 2.371) 2.525 7.587 ( -2.013 -0.000 -0.607) 2.102 7.671 ( -1.728 -0.000 2.248) 2.835 7.698 ( -3.281 -0.000 0.067) 3.281 7.803 ( 6.395 0.000 3.030) 7.076 7.950 ( 1.287 0.000 6.903) 7.022 7.961 ( 9.620 0.000 -2.971) 10.069 8.046 ( 7.379 0.000 2.712) 7.861 8.056 ( -6.711 -0.000 -3.192) 7.432 8.409 ( 13.024 0.000 -7.493) 15.026 8.467 ( -3.096 -0.000 3.588) 4.739 8.536 ( -6.089 -0.000 1.214) 6.209 8.659 ( -3.844 -0.000 0.391) 3.864 8.700 ( -36.370 -0.000 3.409) 36.530 8.830 ( -7.464 -0.000 -1.922) 7.708 8.866 ( -29.734 -0.000 -2.452) 29.834 9.301 ( 19.726 0.000 11.606) 22.887 9.528 ( 5.892 0.000 -4.825) 7.615 9.733 ( 5.874 0.000 -7.115) 9.227 9.998 ( 8.449 0.000 -11.988) 14.667 10.100 ( -1.620 -0.000 1.624) 2.293 10.271 ( 1.387 0.000 -5.509) 5.681 10.571 ( -2.052 -0.000 4.373) 4.831 10.692 ( -2.871 -0.000 1.511) 3.244 10.732 ( -2.017 -0.000 1.040) 2.269 10.819 ( 5.313 0.000 -5.922) 7.956 11.262 ( -1.981 -0.000 2.967) 3.568 11.286 ( 2.028 0.000 2.560) 3.266 11.299 ( 6.750 0.000 2.399) 7.163 11.398 ( 7.673 0.000 -1.588) 7.835 11.467 ( -0.004 -0.000 2.036) 2.036 11.539 ( -3.295 -0.000 -0.771) 3.384 11.595 ( 4.414 0.000 1.416) 4.636 11.752 ( 3.236 0.000 8.560) 9.152 11.765 ( -4.585 -0.000 -3.687) 5.884 11.861 ( -1.589 -0.000 2.977) 3.374 11.938 ( -1.735 -0.000 2.912) 3.390 12.134 ( -5.845 -0.000 -5.131) 7.778 12.207 ( -2.156 -0.000 -9.157) 9.408 12.219 ( -3.194 -0.000 -6.275) 7.041 12.724 ( 3.255 0.000 3.986) 5.146 12.760 ( 3.724 0.000 -0.074) 3.725 13.023 ( 10.974 0.000 3.865) 11.635 13.070 ( 8.287 0.000 3.363) 8.943 13.331 ( -4.968 -0.000 8.526) 9.868 13.519 ( -11.234 -0.000 1.536) 11.339 13.661 ( -5.760 -0.000 -1.445) 5.939 13.748 ( 7.333 0.000 4.218) 8.459 13.798 ( -8.408 -0.000 -4.071) 9.342 14.057 ( 0.664 0.000 -8.538) 8.564 ======================= Grid point 154 (56/84) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 29.449 -4.605 16.794) 34.213 3.248 ( 30.606 -12.698 16.376) 36.961 3.889 ( 12.614 -9.510 -20.100) 25.565 3.932 ( 12.689 -6.447 -17.250) 22.363 4.601 ( 1.380 20.701 11.635) 23.787 4.827 ( 15.973 1.351 23.810) 28.703 4.872 ( -5.968 12.821 11.645) 18.320 5.133 ( 0.119 -6.433 9.955) 11.853 5.160 ( -1.939 5.845 -6.514) 8.964 5.249 ( -13.790 -3.214 3.854) 14.675 5.386 ( -16.138 -3.725 5.431) 17.430 5.473 ( -1.052 -0.859 1.717) 2.189 5.645 ( -20.196 -3.194 5.257) 21.112 5.756 ( 3.480 -7.689 0.939) 8.492 5.793 ( 1.204 -2.259 -7.994) 8.394 5.936 ( -3.435 -4.234 2.306) 5.920 6.379 ( -6.752 -15.522 -8.654) 19.011 6.573 ( 15.702 -0.443 -22.462) 27.410 6.914 ( -3.194 12.187 1.087) 12.645 7.102 ( -4.062 4.667 -0.416) 6.201 7.161 ( -7.033 3.869 1.086) 8.100 7.353 ( 0.371 5.661 0.006) 5.673 7.399 ( -0.731 7.624 -0.994) 7.723 7.531 ( -0.888 4.655 -2.647) 5.428 7.629 ( -10.192 0.251 -0.185) 10.197 7.659 ( -4.278 -2.167 1.467) 5.015 7.771 ( -3.975 2.749 1.605) 5.093 7.873 ( -11.497 2.221 -1.623) 11.821 7.994 ( -0.088 -4.639 2.926) 5.485 8.095 ( -1.071 -6.839 -0.888) 6.979 8.204 ( 3.484 1.142 0.275) 3.677 8.327 ( -18.152 -3.201 6.287) 19.475 8.351 ( -11.189 -0.009 -2.744) 11.521 8.511 ( -0.371 -1.373 2.239) 2.652 8.548 ( 1.815 1.130 0.464) 2.188 8.636 ( -0.377 -3.508 0.951) 3.655 8.758 ( -1.027 -0.780 -2.608) 2.910 8.801 ( 15.949 -1.279 -5.853) 17.038 9.519 ( 13.462 -0.197 4.357) 14.151 9.629 ( 6.874 -3.321 -2.208) 7.947 9.826 ( 10.155 0.860 0.206) 10.194 10.063 ( 1.240 1.298 -6.605) 6.845 10.083 ( 2.150 -0.035 -0.836) 2.307 10.245 ( 0.763 5.286 -4.710) 7.121 10.552 ( -5.395 -5.222 2.861) 8.035 10.608 ( -1.932 4.349 2.195) 5.241 10.746 ( 1.475 -0.438 -0.341) 1.576 10.879 ( 6.174 1.821 -5.219) 8.287 11.097 ( -0.100 13.300 1.250) 13.359 11.154 ( -1.166 13.269 -0.365) 13.325 11.307 ( 1.912 7.120 5.537) 9.220 11.456 ( 1.168 -0.573 1.618) 2.076 11.500 ( -0.557 -1.015 2.040) 2.345 11.570 ( 4.971 -1.744 -4.170) 6.719 11.606 ( -4.049 2.366 2.990) 5.562 11.664 ( -4.609 1.531 -1.177) 4.997 11.877 ( -1.167 -2.441 3.989) 4.821 11.912 ( -0.791 -4.322 -0.162) 4.397 11.949 ( 4.551 -4.362 6.601) 9.127 12.071 ( 4.059 1.054 -5.647) 7.034 12.148 ( -3.232 -6.917 -5.127) 9.196 12.332 ( -1.909 -6.295 -9.318) 11.406 12.744 ( -1.450 -1.438 2.877) 3.527 12.816 ( -2.769 -7.220 0.701) 7.765 13.054 ( -3.547 1.663 7.014) 8.034 13.145 ( -1.808 -1.323 3.931) 4.525 13.359 ( -9.798 -0.578 6.884) 11.988 13.388 ( 9.744 -1.384 4.487) 10.817 13.627 ( -8.679 1.677 -5.711) 10.524 13.655 ( -2.762 -0.185 -5.873) 6.492 13.865 ( 8.655 -1.584 1.698) 8.961 14.085 ( 3.884 0.758 -7.074) 8.106 ======================= Grid point 155 (57/84) ======================= q-point: ( 0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.533 ( 27.341 -8.395 13.142) 31.476 3.842 ( 27.657 -14.142 14.985) 34.489 4.128 ( 8.843 6.762 -5.349) 12.351 4.215 ( 7.522 6.358 0.671) 9.872 4.377 ( 10.659 -11.389 -2.244) 15.759 4.407 ( -5.363 25.804 12.699) 29.256 4.807 ( -9.317 7.379 -1.713) 12.007 4.935 ( -9.325 9.052 -11.792) 17.548 5.052 ( -20.613 -2.812 -3.726) 21.135 5.244 ( -9.905 -7.649 0.960) 12.551 5.286 ( -20.934 -6.417 2.165) 22.002 5.351 ( -13.398 1.939 -4.496) 14.265 5.728 ( 18.075 -9.824 17.857) 27.241 5.922 ( 10.992 -14.574 5.866) 19.174 5.992 ( 9.526 -7.114 0.723) 11.912 6.202 ( 1.863 -16.963 9.455) 19.509 6.450 ( -7.663 -1.792 4.146) 8.896 6.567 ( -6.565 14.305 5.356) 16.626 6.789 ( 11.581 1.361 -18.562) 21.921 6.927 ( -8.952 4.830 3.090) 10.631 7.015 ( -2.928 7.701 -6.229) 10.328 7.246 ( -5.616 5.457 -4.573) 9.068 7.294 ( 5.825 5.837 -3.387) 8.915 7.417 ( -0.313 8.088 -5.048) 9.539 7.447 ( -13.150 1.763 -2.159) 13.442 7.556 ( -11.661 3.961 -2.646) 12.596 7.684 ( -6.772 1.866 -0.559) 7.047 7.738 ( -4.077 -0.596 -1.513) 4.389 7.978 ( -13.370 -6.943 5.592) 16.069 8.145 ( -4.020 -2.568 -2.521) 5.396 8.199 ( 2.901 -1.721 1.379) 3.644 8.275 ( -5.358 -2.437 -0.819) 5.942 8.331 ( -0.638 -5.994 4.325) 7.419 8.466 ( -4.967 -0.386 -0.203) 4.986 8.526 ( -4.574 -0.816 2.802) 5.426 8.690 ( -7.248 -3.671 -2.266) 8.434 8.916 ( 28.330 0.086 1.733) 28.384 9.114 ( 25.782 -0.239 -6.669) 26.631 9.625 ( 2.432 -2.120 1.275) 3.469 9.804 ( 7.108 -6.556 0.367) 9.676 9.930 ( 5.868 1.008 3.531) 6.922 10.017 ( -4.405 0.788 -4.937) 6.664 10.131 ( 3.690 0.944 0.638) 3.862 10.190 ( 4.874 1.909 -3.490) 6.291 10.533 ( 1.754 4.804 2.827) 5.843 10.568 ( -6.879 -4.443 -1.146) 8.269 10.796 ( 4.685 -0.278 -0.772) 4.757 10.825 ( 0.953 11.856 -0.106) 11.895 10.912 ( -2.926 12.467 -0.266) 12.809 11.002 ( 9.722 4.423 -5.269) 11.910 11.213 ( 2.899 6.620 2.241) 7.566 11.401 ( -2.485 9.190 -4.271) 10.435 11.456 ( -5.460 4.387 3.632) 7.890 11.467 ( -3.255 1.261 1.718) 3.891 11.621 ( -2.661 -2.081 2.070) 3.962 11.683 ( 3.742 -4.087 -0.873) 5.609 11.869 ( -2.440 0.426 4.088) 4.780 11.897 ( -3.138 -2.010 5.017) 6.249 12.078 ( 3.031 -2.090 1.220) 3.879 12.207 ( 3.418 -7.191 -2.176) 8.254 12.263 ( -1.072 -8.550 -1.667) 8.777 12.370 ( 3.192 1.194 -9.666) 10.249 12.721 ( -5.692 -1.080 4.836) 7.547 12.849 ( -7.360 -1.986 1.583) 7.786 13.019 ( -1.861 -4.505 3.888) 6.235 13.072 ( -12.890 -7.729 1.956) 15.156 13.310 ( 0.348 3.085 4.642) 5.584 13.411 ( -12.600 3.383 -4.385) 13.764 13.545 ( 7.500 -2.902 3.760) 8.878 13.734 ( 5.818 -3.300 -4.578) 8.105 14.000 ( 7.183 -2.685 -0.961) 7.728 14.117 ( 3.833 1.642 -5.206) 6.671 ======================= Grid point 156 (58/84) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.697 ( 0.868 30.473 17.228) 35.016 3.778 ( -3.605 28.031 18.215) 33.623 4.036 ( 19.622 -3.813 10.777) 22.710 4.371 ( 12.926 -1.364 -2.551) 13.246 4.445 ( 4.994 3.705 -5.013) 7.987 4.566 ( 7.417 1.202 -10.618) 13.007 4.699 ( -5.691 3.051 -5.247) 8.321 4.749 ( -5.450 -8.097 0.907) 9.803 4.961 ( -0.337 -17.025 -4.289) 17.560 5.058 ( -10.608 2.810 -9.277) 14.369 5.201 ( -19.530 -10.674 5.033) 22.819 5.349 ( -14.317 -20.040 -0.499) 24.634 5.986 ( -3.782 26.527 14.942) 30.680 6.114 ( 12.053 -4.549 11.397) 17.201 6.201 ( 12.624 -3.088 7.543) 15.027 6.277 ( 4.901 -9.937 6.893) 13.049 6.406 ( -4.843 1.275 9.534) 10.769 6.523 ( -1.820 -16.579 4.559) 17.291 6.734 ( -4.597 9.270 -8.602) 13.456 6.893 ( -1.840 -0.770 -3.252) 3.815 6.930 ( 5.269 -1.191 -15.263) 16.191 7.121 ( -2.600 3.033 -6.219) 7.392 7.246 ( -1.612 4.942 -2.591) 5.808 7.298 ( -6.556 1.019 -5.931) 8.899 7.337 ( -8.072 6.016 -3.461) 10.645 7.377 ( 6.995 0.927 -7.468) 10.274 7.581 ( -7.586 0.206 -1.271) 7.694 7.697 ( -2.927 0.262 -5.787) 6.490 7.958 ( -8.002 -7.961 7.113) 13.342 8.149 ( -2.795 -3.906 -1.254) 4.964 8.242 ( 2.226 2.177 3.466) 4.659 8.261 ( -1.396 -1.389 1.556) 2.510 8.395 ( -2.000 1.431 0.614) 2.535 8.405 ( -1.736 -1.520 -0.232) 2.319 8.512 ( -1.923 -3.560 2.631) 4.826 8.683 ( -3.704 -4.699 -4.468) 7.468 9.274 ( 25.696 -1.219 1.270) 25.757 9.389 ( 17.380 1.340 -4.079) 17.902 9.678 ( -0.087 -3.426 5.627) 6.588 9.872 ( -12.728 -1.523 1.578) 12.915 9.965 ( 3.507 -4.087 2.188) 5.813 9.996 ( 1.064 -2.164 -6.015) 6.481 10.147 ( -1.471 0.728 2.375) 2.887 10.293 ( 10.850 -0.106 -1.605) 10.968 10.497 ( -4.926 2.229 -1.970) 5.755 10.511 ( 6.331 5.897 -1.998) 8.880 10.618 ( -2.441 8.652 -1.037) 9.049 10.719 ( -4.722 4.735 -3.953) 7.768 10.914 ( 6.077 -1.431 3.108) 6.974 11.087 ( 11.810 2.946 -2.385) 12.404 11.211 ( 5.393 1.135 -2.441) 6.028 11.239 ( 1.596 8.058 -2.381) 8.553 11.339 ( -5.898 2.234 2.226) 6.688 11.356 ( -5.832 3.035 1.644) 6.777 11.626 ( -4.076 -1.109 4.665) 6.293 11.764 ( 1.331 -1.451 1.128) 2.269 11.807 ( -3.096 1.595 3.307) 4.803 11.907 ( -0.066 -1.140 2.417) 2.674 12.116 ( -2.982 0.038 -0.219) 2.990 12.234 ( -7.855 -3.047 4.540) 9.570 12.316 ( 1.725 -0.893 -3.646) 4.132 12.422 ( 4.223 1.653 -4.714) 6.541 12.675 ( -2.264 1.072 4.063) 4.773 12.797 ( -4.521 -5.009 -1.042) 6.828 13.031 ( -1.700 -3.871 4.451) 6.139 13.157 ( -3.962 -3.228 -0.574) 5.142 13.240 ( -0.461 4.657 0.021) 4.680 13.246 ( -7.655 -5.565 -3.032) 9.938 13.676 ( 4.246 -4.066 5.283) 7.903 13.862 ( 3.957 -4.568 -2.928) 6.716 14.106 ( 3.419 0.240 -2.724) 4.378 14.128 ( 3.342 0.489 -3.242) 4.682 ======================= Grid point 157 (59/84) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( 0.000 33.113 19.834) 38.599 3.240 ( 0.000 31.815 24.501) 40.156 4.162 ( 0.000 16.267 -22.704) 27.930 4.204 ( 0.000 19.311 -20.040) 27.830 4.333 ( -0.000 -5.070 8.469) 9.871 4.644 ( 0.000 1.369 12.705) 12.778 4.806 ( -0.000 -10.571 -10.649) 15.005 4.847 ( 0.000 9.785 1.685) 9.929 5.039 ( -0.000 -11.632 5.325) 12.793 5.062 ( -0.000 -11.947 20.846) 24.027 5.474 ( -0.000 -11.686 -5.185) 12.785 5.519 ( -0.000 -24.583 -1.432) 24.625 5.529 ( 0.000 16.419 11.902) 20.279 6.153 ( 0.000 9.839 13.027) 16.325 6.254 ( 0.000 1.173 9.993) 10.062 6.452 ( 0.000 4.819 -10.234) 11.312 6.453 ( -0.000 -10.131 1.875) 10.303 6.522 ( 0.000 2.836 -7.600) 8.112 6.745 ( -0.000 -10.828 -0.746) 10.854 6.917 ( 0.000 0.714 -4.719) 4.773 6.975 ( -0.000 -0.968 -11.305) 11.347 7.105 ( -0.000 -2.847 -2.835) 4.018 7.171 ( 0.000 3.169 -1.181) 3.382 7.215 ( 0.000 1.668 -0.871) 1.881 7.302 ( -0.000 -6.396 -7.223) 9.648 7.454 ( -0.000 -2.027 -5.868) 6.208 7.518 ( -0.000 -1.280 -0.718) 1.468 7.685 ( -0.000 -1.775 -7.492) 7.699 8.029 ( -0.000 -7.422 6.983) 10.191 8.185 ( 0.000 5.281 6.395) 8.294 8.197 ( -0.000 -2.670 1.551) 3.088 8.268 ( -0.000 -1.129 0.583) 1.270 8.335 ( 0.000 3.486 2.183) 4.113 8.397 ( 0.000 1.260 -2.535) 2.831 8.569 ( -0.000 -4.092 1.587) 4.389 8.753 ( -0.000 -7.594 -7.534) 10.697 9.469 ( 0.000 1.770 -1.509) 2.326 9.479 ( 0.000 0.859 -1.137) 1.425 9.738 ( -0.000 -0.971 7.887) 7.946 9.801 ( -0.000 -6.285 4.782) 7.898 9.946 ( 0.000 8.988 2.920) 9.451 10.078 ( -0.000 -4.781 -6.341) 7.941 10.106 ( -0.000 -0.740 2.604) 2.707 10.379 ( 0.000 6.124 -6.290) 8.778 10.439 ( -0.000 -4.497 1.954) 4.903 10.459 ( 0.000 2.061 -2.659) 3.365 10.570 ( 0.000 1.735 -11.374) 11.506 10.657 ( -0.000 -4.805 -2.461) 5.399 10.957 ( 0.000 1.112 7.180) 7.266 11.145 ( 0.000 5.864 -0.447) 5.881 11.210 ( -0.000 -2.171 -0.089) 2.173 11.227 ( 0.000 3.839 2.301) 4.476 11.247 ( 0.000 1.586 1.879) 2.459 11.327 ( -0.000 -4.575 -4.387) 6.339 11.564 ( 0.000 1.380 6.154) 6.307 11.749 ( 0.000 2.114 4.653) 5.110 11.785 ( 0.000 0.149 -3.252) 3.255 11.904 ( 0.000 1.603 -1.397) 2.126 12.006 ( 0.000 4.259 8.331) 9.357 12.285 ( -0.000 -4.539 0.379) 4.554 12.346 ( 0.000 7.287 -4.767) 8.708 12.363 ( -0.000 -2.520 -1.838) 3.119 12.640 ( 0.000 0.763 6.007) 6.055 12.871 ( -0.000 -4.266 -3.235) 5.354 13.003 ( 0.000 7.996 2.094) 8.266 13.122 ( 0.000 7.686 -1.579) 7.847 13.160 ( -0.000 -7.997 3.887) 8.891 13.401 ( -0.000 -11.664 -5.439) 12.870 13.768 ( -0.000 -4.080 5.896) 7.170 13.959 ( -0.000 -4.170 -2.698) 4.967 14.068 ( 0.000 4.593 0.105) 4.595 14.177 ( -0.000 -1.283 -4.500) 4.679 ======================= Grid point 162 (60/84) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.425 ( 30.303 0.000 11.003) 32.239 3.527 ( 31.586 0.000 12.359) 33.918 3.986 ( 15.248 0.000 -13.627) 20.449 4.053 ( 14.907 0.000 -12.283) 19.316 4.710 ( -9.460 -0.000 5.176) 10.783 4.827 ( -22.110 -0.000 0.044) 22.110 5.010 ( 6.424 0.000 6.366) 9.044 5.043 ( -16.080 -0.000 7.911) 17.921 5.122 ( -10.620 -0.000 6.838) 12.631 5.132 ( -3.310 -0.000 12.929) 13.346 5.233 ( -3.895 -0.000 1.701) 4.250 5.365 ( -7.116 -0.000 12.892) 14.725 5.639 ( 13.932 0.000 14.417) 20.049 5.641 ( 2.695 0.000 -2.167) 3.458 5.719 ( 4.739 0.000 -3.563) 5.929 6.001 ( -7.358 -0.000 -10.598) 12.902 6.056 ( -6.334 -0.000 -8.649) 10.721 6.769 ( 13.736 0.000 -15.552) 20.749 6.966 ( -17.410 -0.000 10.581) 20.373 6.995 ( -0.236 -0.000 -2.855) 2.865 7.162 ( -0.683 -0.000 -3.303) 3.373 7.374 ( -4.580 -0.000 -1.698) 4.885 7.473 ( 1.237 0.000 2.491) 2.781 7.506 ( -9.583 -0.000 -0.265) 9.586 7.573 ( -6.838 -0.000 -2.138) 7.165 7.576 ( 0.874 0.000 -2.875) 3.005 7.727 ( -11.863 -0.000 5.046) 12.892 7.752 ( -4.756 -0.000 0.516) 4.784 7.848 ( -11.880 -0.000 1.359) 11.957 8.059 ( -5.356 -0.000 -4.620) 7.073 8.139 ( -2.452 -0.000 4.429) 5.063 8.160 ( -4.938 -0.000 -1.251) 5.094 8.277 ( 1.947 0.000 -0.588) 2.034 8.422 ( -3.451 -0.000 -1.048) 3.606 8.524 ( -5.967 -0.000 1.178) 6.083 8.637 ( -3.375 -0.000 -0.320) 3.390 8.932 ( 27.367 0.000 2.323) 27.465 9.113 ( 26.393 0.000 -6.377) 27.153 9.630 ( 5.349 0.000 -3.493) 6.389 9.661 ( 4.085 0.000 -2.754) 4.926 9.968 ( 7.605 0.000 -0.665) 7.634 10.039 ( -5.633 -0.000 -3.860) 6.829 10.095 ( 0.529 0.000 2.424) 2.481 10.353 ( 5.672 0.000 -6.054) 8.296 10.381 ( -9.002 -0.000 7.070) 11.447 10.611 ( -2.119 -0.000 -3.535) 4.122 10.768 ( 2.040 0.000 4.959) 5.362 10.977 ( 6.994 0.000 -4.690) 8.421 11.137 ( -6.441 -0.000 5.701) 8.602 11.261 ( -3.918 -0.000 0.426) 3.941 11.451 ( 0.008 0.000 2.832) 2.832 11.457 ( 3.981 0.000 2.416) 4.657 11.495 ( 4.411 0.000 2.131) 4.899 11.498 ( -1.893 -0.000 0.731) 2.030 11.614 ( -1.666 -0.000 2.306) 2.845 11.694 ( -0.632 -0.000 -2.162) 2.252 11.808 ( -3.961 -0.000 3.370) 5.201 11.830 ( -3.205 -0.000 -2.812) 4.263 12.026 ( 9.454 0.000 3.935) 10.241 12.078 ( 2.835 0.000 -4.351) 5.193 12.184 ( 0.879 0.000 -6.454) 6.514 12.256 ( 8.321 0.000 -9.713) 12.790 12.679 ( -4.069 -0.000 3.016) 5.065 12.727 ( -3.375 -0.000 -0.302) 3.389 12.955 ( -20.417 -0.000 5.592) 21.169 13.015 ( -6.736 -0.000 5.604) 8.763 13.336 ( 2.826 0.000 9.338) 9.757 13.475 ( -9.148 -0.000 -3.008) 9.630 13.528 ( 6.701 0.000 0.157) 6.702 13.668 ( 2.918 0.000 -7.394) 7.949 13.949 ( 6.762 0.000 0.748) 6.803 14.135 ( 3.240 0.000 -6.452) 7.220 ======================= Grid point 163 (61/84) ======================= q-point: ( 0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( 28.337 -2.366 8.323) 29.629 3.998 ( 27.344 -10.624 9.119) 30.720 4.227 ( 15.506 -4.333 -8.445) 18.180 4.320 ( 16.808 -9.257 -4.504) 19.710 4.497 ( -17.947 5.037 5.455) 19.422 4.628 ( -15.195 -5.231 -1.287) 16.122 4.737 ( 0.265 24.138 7.575) 25.300 4.842 ( -19.098 6.167 8.142) 21.657 4.869 ( -18.460 1.135 4.697) 19.082 4.884 ( -14.293 3.415 7.286) 16.402 5.195 ( -1.214 14.745 -11.822) 18.938 5.408 ( -0.531 0.785 -4.974) 5.063 5.768 ( 2.474 -5.262 -1.964) 6.137 5.816 ( 3.269 -16.289 7.902) 18.397 5.939 ( 4.471 -15.763 -3.959) 16.856 6.006 ( 19.495 -5.216 21.354) 29.382 6.189 ( -6.798 -13.560 -5.585) 16.164 6.715 ( -14.786 3.575 10.906) 18.717 6.803 ( -3.558 7.681 7.170) 11.093 6.998 ( 9.779 4.582 -14.461) 18.048 7.127 ( 0.104 4.570 -5.319) 7.014 7.244 ( -6.045 5.883 -3.393) 9.092 7.354 ( -7.765 4.170 -2.731) 9.227 7.455 ( -2.645 1.346 0.742) 3.059 7.482 ( 1.265 5.619 -2.215) 6.171 7.556 ( -0.216 4.668 -2.159) 5.148 7.629 ( -6.410 1.246 -0.599) 6.558 7.672 ( -4.509 -1.253 1.991) 5.086 7.754 ( -5.870 -2.894 1.989) 6.840 7.980 ( -8.044 -5.295 -5.011) 10.855 8.201 ( 1.956 -5.345 2.414) 6.183 8.226 ( 4.649 -2.521 1.242) 5.432 8.285 ( 1.069 0.323 -1.096) 1.565 8.401 ( -3.471 -1.841 -2.404) 4.606 8.458 ( -4.028 0.027 3.020) 5.035 8.603 ( -2.677 -1.092 -0.560) 2.944 9.273 ( 26.482 0.461 2.115) 26.570 9.409 ( 19.591 -0.111 -3.728) 19.943 9.653 ( 3.141 2.048 -4.285) 5.694 9.753 ( 1.709 -5.005 -2.372) 5.796 9.909 ( -12.941 1.012 -4.901) 13.874 9.967 ( -4.400 0.979 -4.351) 6.265 10.119 ( -0.468 -2.119 4.220) 4.746 10.290 ( 0.796 0.477 5.450) 5.528 10.456 ( 1.450 -2.692 -4.481) 5.425 10.586 ( 0.308 1.617 -3.031) 3.449 10.815 ( 2.610 -2.983 4.256) 5.816 10.999 ( -0.381 7.412 3.089) 8.039 11.042 ( 1.009 5.645 -0.891) 5.803 11.136 ( -1.460 4.992 -4.115) 6.632 11.369 ( 2.940 7.750 2.822) 8.757 11.434 ( -1.675 3.681 1.286) 4.244 11.481 ( -2.954 6.239 2.763) 7.435 11.544 ( 2.263 2.796 2.203) 4.218 11.596 ( 1.223 1.615 0.864) 2.202 11.676 ( 2.281 -0.918 -1.442) 2.850 11.773 ( -5.013 -6.726 4.695) 9.613 11.828 ( -3.528 -2.088 2.430) 4.766 12.108 ( 3.431 0.395 1.405) 3.728 12.173 ( 5.076 -3.367 -2.352) 6.529 12.212 ( 2.330 -0.730 -2.427) 3.443 12.445 ( 11.947 -3.639 -10.597) 16.379 12.636 ( -7.414 0.887 2.956) 8.031 12.716 ( -2.702 -5.750 0.703) 6.392 12.774 ( -11.138 -7.264 2.713) 13.571 12.901 ( -11.386 -1.138 0.348) 11.448 13.337 ( -6.451 2.818 -0.872) 7.093 13.365 ( 1.693 1.035 8.199) 8.436 13.607 ( 4.736 0.482 0.819) 4.830 13.735 ( 2.882 -3.462 -5.402) 7.034 14.030 ( 3.730 -1.897 -0.545) 4.220 14.165 ( 1.899 0.274 -5.543) 5.866 ======================= Grid point 164 (62/84) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.117 ( -0.000 -1.193 8.911) 8.990 4.137 ( 0.000 19.646 14.083) 24.172 4.244 ( 0.000 24.395 8.657) 25.885 4.444 ( -0.000 -3.741 -4.133) 5.575 4.524 ( -0.000 -1.547 6.460) 6.642 4.537 ( 0.000 6.130 -0.462) 6.148 4.538 ( -0.000 -14.661 9.014) 17.211 4.668 ( -0.000 -9.847 6.352) 11.718 4.761 ( -0.000 -12.966 -4.441) 13.706 4.916 ( 0.000 12.232 -16.474) 20.519 4.925 ( -0.000 -16.159 -2.590) 16.365 5.207 ( 0.000 15.730 -17.118) 23.248 6.016 ( -0.000 -15.016 8.477) 17.244 6.141 ( -0.000 -15.761 7.566) 17.483 6.196 ( -0.000 -10.071 10.170) 14.313 6.245 ( -0.000 -10.806 9.711) 14.528 6.280 ( -0.000 -5.997 -0.535) 6.021 6.459 ( 0.000 22.509 10.532) 24.851 6.670 ( -0.000 -3.925 10.737) 11.432 7.004 ( 0.000 11.064 -11.215) 15.754 7.005 ( 0.000 3.672 -12.718) 13.238 7.139 ( 0.000 2.674 -6.868) 7.371 7.232 ( 0.000 2.933 -2.701) 3.987 7.357 ( 0.000 6.270 -3.879) 7.373 7.412 ( 0.000 7.685 -1.012) 7.752 7.507 ( 0.000 0.890 0.716) 1.142 7.517 ( 0.000 5.198 -7.972) 9.517 7.683 ( -0.000 -0.928 -3.132) 3.266 7.785 ( -0.000 -6.734 6.057) 9.057 8.025 ( -0.000 -6.486 -4.023) 7.632 8.248 ( -0.000 -0.393 1.747) 1.791 8.306 ( 0.000 1.018 1.733) 2.010 8.331 ( -0.000 -6.047 1.932) 6.348 8.389 ( -0.000 -0.455 -2.457) 2.499 8.442 ( -0.000 -2.127 3.556) 4.143 8.613 ( -0.000 -2.345 -2.055) 3.118 9.498 ( 0.000 0.195 1.089) 1.106 9.545 ( 0.000 1.029 -1.491) 1.812 9.646 ( 0.000 0.652 0.275) 0.707 9.711 ( 0.000 0.330 -0.289) 0.438 9.894 ( -0.000 -6.806 -3.485) 7.646 9.940 ( -0.000 -3.012 -8.766) 9.269 10.137 ( -0.000 -0.583 4.753) 4.789 10.330 ( -0.000 -2.784 4.850) 5.592 10.474 ( 0.000 0.571 -5.901) 5.928 10.576 ( -0.000 -0.133 -1.092) 1.100 10.826 ( 0.000 15.739 -0.873) 15.763 10.849 ( 0.000 12.596 -0.228) 12.598 10.904 ( -0.000 -4.390 3.768) 5.785 11.155 ( -0.000 -2.366 -5.524) 6.009 11.319 ( 0.000 3.986 2.618) 4.768 11.323 ( 0.000 5.385 0.541) 5.412 11.362 ( 0.000 4.721 0.463) 4.744 11.416 ( 0.000 10.172 -2.533) 10.483 11.605 ( 0.000 0.710 5.632) 5.676 11.748 ( -0.000 -2.778 0.946) 2.934 11.805 ( 0.000 0.530 5.326) 5.352 11.855 ( -0.000 -5.858 3.151) 6.652 12.137 ( -0.000 -1.657 1.427) 2.186 12.152 ( 0.000 5.451 4.765) 7.240 12.273 ( -0.000 -4.213 -4.039) 5.836 12.539 ( 0.000 4.001 -9.279) 10.105 12.634 ( -0.000 -5.743 1.530) 5.943 12.718 ( 0.000 1.961 -1.524) 2.484 12.844 ( -0.000 -11.530 1.869) 11.681 12.964 ( -0.000 -14.787 -1.976) 14.918 13.234 ( 0.000 5.384 1.716) 5.651 13.332 ( 0.000 4.494 4.253) 6.187 13.650 ( -0.000 -2.399 3.246) 4.036 13.817 ( -0.000 -4.272 -3.623) 5.602 14.094 ( -0.000 -3.033 -1.924) 3.592 14.168 ( 0.000 1.116 -4.399) 4.539 ======================= Grid point 172 (63/84) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.065 ( 0.000 0.000 4.897) 4.897 4.111 ( 0.000 0.000 4.985) 4.985 4.273 ( 0.000 0.000 4.082) 4.082 4.403 ( 0.000 0.000 -1.339) 1.339 4.434 ( 0.000 0.000 -4.640) 4.640 4.459 ( 0.000 0.000 -3.775) 3.775 4.492 ( -0.000 -0.000 7.646) 7.646 4.643 ( -0.000 -0.000 -0.093) 0.093 5.123 ( 0.000 0.000 14.835) 14.835 5.170 ( 0.000 0.000 3.366) 3.366 5.202 ( 0.000 0.000 2.821) 2.821 5.270 ( -0.000 -0.000 6.498) 6.498 5.669 ( 0.000 0.000 -4.260) 4.260 5.756 ( 0.000 0.000 -7.444) 7.444 5.896 ( 0.000 0.000 -10.756) 10.756 5.922 ( 0.000 0.000 -9.958) 9.958 6.192 ( -0.000 -0.000 25.901) 25.901 6.548 ( 0.000 0.000 14.670) 14.670 6.885 ( 0.000 0.000 5.755) 5.755 7.123 ( 0.000 0.000 -10.058) 10.058 7.154 ( 0.000 0.000 -2.847) 2.847 7.256 ( -0.000 -0.000 -11.646) 11.646 7.351 ( 0.000 0.000 -0.508) 0.508 7.403 ( 0.000 0.000 4.051) 4.051 7.528 ( 0.000 0.000 6.229) 6.229 7.590 ( 0.000 0.000 -3.498) 3.498 7.616 ( 0.000 0.000 -2.929) 2.929 7.673 ( 0.000 0.000 -0.751) 0.751 7.679 ( 0.000 0.000 0.315) 0.315 7.874 ( 0.000 0.000 -5.263) 5.263 8.148 ( 0.000 0.000 6.684) 6.684 8.293 ( 0.000 0.000 -1.103) 1.103 8.300 ( 0.000 0.000 -4.294) 4.294 8.317 ( -0.000 -0.000 -4.017) 4.017 8.440 ( 0.000 0.000 3.823) 3.823 8.577 ( 0.000 0.000 0.232) 0.232 9.498 ( 0.000 0.000 5.142) 5.142 9.532 ( 0.000 0.000 -0.879) 0.879 9.736 ( 0.000 0.000 -3.102) 3.102 9.748 ( 0.000 0.000 -6.877) 6.877 9.751 ( -0.000 -0.000 -7.079) 7.079 9.908 ( -0.000 -0.000 -9.693) 9.693 10.098 ( 0.000 0.000 7.115) 7.115 10.271 ( 0.000 0.000 7.902) 7.902 10.470 ( 0.000 0.000 -7.139) 7.139 10.605 ( 0.000 0.000 -6.247) 6.247 10.795 ( 0.000 0.000 6.659) 6.659 11.039 ( 0.000 0.000 5.599) 5.599 11.110 ( 0.000 0.000 -7.460) 7.460 11.141 ( -0.000 -0.000 1.256) 1.256 11.450 ( 0.000 0.000 4.264) 4.264 11.525 ( -0.000 -0.000 5.206) 5.206 11.526 ( 0.000 0.000 1.140) 1.140 11.558 ( 0.000 0.000 4.057) 4.057 11.633 ( -0.000 -0.000 4.713) 4.713 11.683 ( -0.000 -0.000 -1.797) 1.797 11.693 ( 0.000 0.000 0.120) 0.120 11.736 ( 0.000 0.000 -1.236) 1.236 12.143 ( 0.000 0.000 2.224) 2.224 12.166 ( 0.000 0.000 -5.996) 5.996 12.267 ( 0.000 0.000 1.158) 1.158 12.526 ( 0.000 0.000 -6.999) 6.999 12.534 ( -0.000 -0.000 4.526) 4.526 12.627 ( 0.000 0.000 2.739) 2.739 12.705 ( 0.000 0.000 -3.519) 3.519 12.770 ( -0.000 -0.000 -3.668) 3.668 13.323 ( 0.000 0.000 1.706) 1.706 13.381 ( 0.000 0.000 9.540) 9.540 13.653 ( 0.000 0.000 0.579) 0.579 13.715 ( 0.000 0.000 -6.967) 6.967 14.038 ( 0.000 0.000 -0.350) 0.350 14.178 ( 0.000 0.000 -5.623) 5.623 ======================= Grid point 201 (64/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 0.000 0.000 -39.330) 39.330 2.571 ( 0.000 0.000 39.330) 39.330 2.716 ( 0.000 0.000 -41.746) 41.746 2.716 ( 0.000 0.000 41.746) 41.746 4.407 ( 0.000 0.000 -57.800) 57.800 4.407 ( 0.000 0.000 57.800) 57.800 4.940 ( 0.000 0.000 -19.234) 19.234 4.940 ( 0.000 0.000 19.234) 19.234 5.294 ( 0.000 0.000 -8.581) 8.581 5.294 ( 0.000 0.000 8.581) 8.581 5.647 ( 0.000 0.000 -15.841) 15.841 5.647 ( 0.000 0.000 15.841) 15.841 5.850 ( 0.000 0.000 -26.365) 26.365 5.850 ( 0.000 0.000 26.365) 26.365 6.190 ( 0.000 0.000 -14.681) 14.681 6.190 ( 0.000 0.000 14.681) 14.681 6.508 ( 0.000 0.000 -16.430) 16.430 6.508 ( 0.000 0.000 16.430) 16.430 7.081 ( 0.000 0.000 -7.562) 7.562 7.081 ( 0.000 0.000 7.562) 7.562 7.168 ( 0.000 0.000 -7.096) 7.096 7.168 ( 0.000 0.000 7.096) 7.096 7.321 ( 0.000 0.000 -2.478) 2.478 7.321 ( 0.000 0.000 2.478) 2.478 7.632 ( 0.000 0.000 -5.647) 5.647 7.632 ( 0.000 0.000 5.647) 5.647 7.707 ( 0.000 0.000 -0.919) 0.919 7.707 ( 0.000 0.000 0.919) 0.919 8.157 ( 0.000 0.000 -9.567) 9.567 8.157 ( 0.000 0.000 9.567) 9.567 8.186 ( 0.000 0.000 -0.264) 0.264 8.186 ( 0.000 0.000 0.264) 0.264 8.363 ( 0.000 0.000 -2.495) 2.495 8.363 ( 0.000 0.000 2.495) 2.495 8.947 ( 0.000 0.000 -7.969) 7.969 8.947 ( 0.000 0.000 7.969) 7.969 9.307 ( 0.000 0.000 -6.649) 6.649 9.307 ( 0.000 0.000 6.649) 6.649 9.605 ( 0.000 0.000 -4.587) 4.587 9.605 ( 0.000 0.000 4.587) 4.587 10.032 ( 0.000 0.000 -7.046) 7.046 10.032 ( 0.000 0.000 7.046) 7.046 10.250 ( 0.000 0.000 -1.034) 1.034 10.250 ( 0.000 0.000 1.034) 1.034 10.805 ( 0.000 0.000 -5.567) 5.567 10.805 ( 0.000 0.000 5.567) 5.567 10.858 ( 0.000 0.000 -6.051) 6.051 10.858 ( 0.000 0.000 6.051) 6.051 10.912 ( 0.000 0.000 -2.586) 2.586 10.912 ( 0.000 0.000 2.586) 2.586 11.129 ( 0.000 0.000 -4.073) 4.073 11.129 ( 0.000 0.000 4.073) 4.073 11.697 ( 0.000 0.000 -6.275) 6.275 11.697 ( 0.000 0.000 6.275) 6.275 11.763 ( 0.000 0.000 -7.385) 7.385 11.763 ( 0.000 0.000 7.385) 7.385 11.833 ( 0.000 0.000 -7.981) 7.981 11.833 ( 0.000 0.000 7.981) 7.981 11.911 ( 0.000 0.000 -8.872) 8.872 11.911 ( 0.000 0.000 8.872) 8.872 12.152 ( 0.000 0.000 -4.416) 4.416 12.152 ( 0.000 0.000 4.416) 4.416 12.310 ( 0.000 0.000 -2.086) 2.086 12.310 ( 0.000 0.000 2.086) 2.086 12.905 ( 0.000 0.000 -0.228) 0.228 12.905 ( 0.000 0.000 0.228) 0.228 13.544 ( 0.000 0.000 -8.982) 8.982 13.544 ( 0.000 0.000 8.982) 8.982 13.895 ( 0.000 0.000 -1.671) 1.671 13.895 ( 0.000 0.000 1.671) 1.671 14.168 ( 0.000 0.000 -5.225) 5.225 14.168 ( 0.000 0.000 5.225) 5.225 ======================= Grid point 203 (65/84) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 6.357 -12.829 -36.065) 38.803 2.714 ( 6.357 -12.829 36.065) 38.803 2.826 ( 6.111 -8.985 -38.476) 39.981 2.826 ( 6.111 -8.985 38.476) 39.981 4.553 ( 9.835 -9.594 -51.961) 53.747 4.553 ( 9.835 -9.594 51.961) 53.747 4.910 ( -0.030 4.380 -17.981) 18.507 4.910 ( -0.030 4.380 17.981) 18.507 5.301 ( 0.599 -1.166 -7.607) 7.719 5.301 ( 0.599 -1.166 7.607) 7.719 5.614 ( -3.997 3.347 -16.565) 17.366 5.614 ( -3.997 3.347 16.565) 17.366 5.851 ( 0.980 -0.878 -23.085) 23.122 5.851 ( 0.980 -0.878 23.085) 23.122 6.182 ( -3.110 -2.414 -13.230) 13.803 6.182 ( -3.110 -2.414 13.230) 13.803 6.481 ( -3.819 0.784 -14.210) 14.735 6.481 ( -3.819 0.784 14.210) 14.735 7.043 ( -2.231 4.012 -2.983) 5.475 7.043 ( -2.231 4.012 2.983) 5.475 7.113 ( 4.908 6.467 -0.916) 8.170 7.113 ( 4.908 6.467 0.916) 8.170 7.404 ( 7.594 -1.082 -5.037) 9.177 7.404 ( 7.594 -1.082 5.037) 9.177 7.578 ( -2.263 5.025 -5.777) 7.984 7.578 ( -2.263 5.025 5.777) 7.984 7.712 ( 1.678 0.525 -1.372) 2.230 7.712 ( 1.678 0.525 1.372) 2.230 8.122 ( -5.173 -0.793 -6.544) 8.379 8.122 ( -5.173 -0.793 6.544) 8.379 8.200 ( -0.252 -2.470 -1.209) 2.762 8.200 ( -0.252 -2.470 1.209) 2.762 8.435 ( 10.773 1.591 -1.034) 10.938 8.435 ( 10.773 1.591 1.034) 10.938 8.898 ( -1.340 3.586 -8.305) 9.145 8.898 ( -1.340 3.586 8.305) 9.145 9.347 ( -0.474 -2.222 -8.555) 8.851 9.347 ( -0.474 -2.222 8.555) 8.851 9.541 ( -7.125 -0.244 -4.445) 8.401 9.541 ( -7.125 -0.244 4.445) 8.401 9.975 ( -13.244 -3.563 -4.673) 14.489 9.975 ( -13.244 -3.563 4.673) 14.489 10.220 ( -0.654 4.421 -0.694) 4.523 10.220 ( -0.654 4.421 0.694) 4.523 10.689 ( -8.888 2.476 -2.539) 9.569 10.689 ( -8.888 2.476 2.539) 9.569 10.790 ( -2.321 4.735 -4.027) 6.635 10.790 ( -2.321 4.735 4.027) 6.635 10.936 ( 5.408 0.490 -5.432) 7.680 10.936 ( 5.408 0.490 5.432) 7.680 11.210 ( 5.082 0.956 -2.883) 5.921 11.210 ( 5.082 0.956 2.883) 5.921 11.617 ( -4.315 4.263 -5.466) 8.165 11.617 ( -4.315 4.263 5.466) 8.165 11.693 ( -1.041 4.185 -6.588) 7.874 11.693 ( -1.041 4.185 6.588) 7.874 11.830 ( 3.472 1.230 -6.257) 7.261 11.830 ( 3.472 1.230 6.257) 7.261 12.052 ( 14.094 -0.018 -3.550) 14.534 12.052 ( 14.094 -0.018 3.550) 14.534 12.229 ( 1.695 -8.874 -2.695) 9.428 12.229 ( 1.695 -8.874 2.695) 9.428 12.411 ( -0.843 -11.007 -3.858) 11.694 12.411 ( -0.843 -11.007 3.858) 11.694 12.912 ( 0.093 -1.092 -1.419) 1.793 12.912 ( 0.093 -1.092 1.419) 1.793 13.550 ( 2.893 1.825 -8.638) 9.290 13.550 ( 2.893 1.825 8.638) 9.290 13.862 ( -5.660 -0.767 -1.467) 5.897 13.862 ( -5.660 -0.767 1.467) 5.897 14.126 ( -4.442 1.623 -5.093) 6.950 14.126 ( -4.442 1.623 5.093) 6.950 ======================= Grid point 205 (66/84) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 9.788 -18.382 -32.964) 38.991 3.079 ( 9.788 -18.382 32.964) 38.991 3.145 ( 11.993 -18.648 -28.739) 36.298 3.145 ( 11.993 -18.648 28.739) 36.298 4.721 ( -2.096 9.875 -9.577) 13.915 4.721 ( -2.096 9.875 9.576) 13.915 4.919 ( 9.622 -7.366 -24.152) 27.021 4.919 ( 9.622 -7.366 24.152) 27.021 5.371 ( -1.842 -5.447 -16.489) 17.462 5.371 ( -1.842 -5.447 16.489) 17.462 5.442 ( 0.892 7.432 -7.459) 10.567 5.442 ( 0.892 7.432 7.459) 10.567 5.906 ( -2.281 -5.610 -11.485) 12.984 5.906 ( -2.281 -5.610 11.485) 12.984 6.202 ( -2.025 -2.619 -10.310) 10.828 6.202 ( -2.025 -2.619 10.310) 10.828 6.409 ( -4.169 -0.610 -10.848) 11.637 6.409 ( -4.169 -0.610 10.848) 11.637 6.899 ( -3.932 8.241 -3.531) 9.790 6.899 ( -3.932 8.241 3.531) 9.790 7.126 ( 7.752 4.410 -2.178) 9.180 7.126 ( 7.752 4.410 2.178) 9.180 7.414 ( -4.307 9.288 -6.900) 12.346 7.414 ( -4.307 9.288 6.900) 12.346 7.516 ( 11.631 2.842 -4.604) 12.828 7.516 ( 11.631 2.842 4.604) 12.828 7.738 ( 4.310 0.714 -1.024) 4.487 7.738 ( 4.310 0.714 1.024) 4.487 8.077 ( -4.904 -1.702 -4.511) 6.878 8.077 ( -4.904 -1.702 4.511) 6.878 8.256 ( 0.341 -4.371 -1.783) 4.733 8.256 ( 0.341 -4.371 1.783) 4.733 8.513 ( 5.949 3.562 -0.970) 7.001 8.513 ( 5.949 3.562 0.970) 7.001 8.858 ( 3.965 2.919 -9.049) 10.302 8.858 ( 3.965 2.919 9.049) 10.302 9.218 ( -11.836 5.801 -6.004) 14.484 9.218 ( -11.836 5.801 6.004) 14.484 9.579 ( -1.518 -8.288 -3.234) 9.026 9.579 ( -1.518 -8.288 3.234) 9.026 9.827 ( -21.086 -6.890 -3.461) 22.451 9.827 ( -21.086 -6.890 3.461) 22.451 10.116 ( -3.401 3.989 -2.328) 5.736 10.116 ( -3.401 3.989 2.328) 5.736 10.604 ( 0.728 2.848 -5.526) 6.259 10.604 ( 0.728 2.848 5.526) 6.259 10.676 ( -1.610 6.060 -6.009) 8.685 10.676 ( -1.610 6.060 6.009) 8.685 10.963 ( 2.886 5.217 -4.852) 7.687 10.963 ( 2.886 5.217 4.852) 7.687 11.194 ( 1.172 3.460 -2.505) 4.430 11.194 ( 1.172 3.460 2.505) 4.430 11.486 ( 0.610 6.273 -3.583) 7.250 11.486 ( 0.610 6.273 3.583) 7.250 11.710 ( 1.690 -2.696 -2.238) 3.890 11.710 ( 1.690 -2.696 2.238) 3.890 11.862 ( 0.696 -1.869 -4.199) 4.649 11.862 ( 0.696 -1.869 4.199) 4.649 12.152 ( 3.053 0.494 -5.651) 6.442 12.152 ( 3.053 0.494 5.651) 6.442 12.436 ( 6.328 -7.842 -3.588) 10.696 12.436 ( 6.328 -7.842 3.588) 10.696 12.589 ( 4.077 -9.093 -2.719) 10.329 12.589 ( 4.077 -9.093 2.719) 10.329 12.957 ( 3.552 -2.557 -3.926) 5.879 12.957 ( 3.552 -2.557 3.926) 5.879 13.546 ( 2.770 3.553 -6.667) 8.047 13.546 ( 2.770 3.553 6.667) 8.047 13.800 ( -6.777 -1.725 -2.050) 7.287 13.800 ( -6.777 -1.725 2.050) 7.287 14.016 ( -8.013 2.114 -5.217) 9.792 14.016 ( -8.013 2.114 5.217) 9.792 ======================= Grid point 207 (67/84) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( 10.144 -18.860 -26.764) 34.277 3.492 ( 10.144 -18.860 26.764) 34.277 3.664 ( 15.701 -23.397 -21.035) 35.163 3.664 ( 15.701 -23.397 21.035) 35.163 4.430 ( -7.324 16.829 -16.591) 24.741 4.430 ( -7.324 16.829 16.591) 24.741 4.824 ( -12.989 15.591 -18.725) 27.612 4.824 ( -12.989 15.591 18.725) 27.612 5.456 ( 14.977 -2.777 -7.256) 16.872 5.456 ( 14.977 -2.777 7.256) 16.872 5.674 ( 7.829 -16.684 -18.306) 25.976 5.674 ( 7.829 -16.684 18.306) 25.976 5.910 ( -10.306 -3.981 -4.614) 11.972 5.910 ( -10.306 -3.981 4.614) 11.972 6.161 ( -2.915 1.564 -2.999) 4.465 6.161 ( -2.915 1.564 2.999) 4.465 6.442 ( 3.480 1.188 -10.447) 11.075 6.442 ( 3.480 1.188 10.447) 11.075 6.753 ( -4.641 -0.467 -6.345) 7.875 6.753 ( -4.641 -0.467 6.345) 7.875 7.076 ( 0.523 10.864 -2.339) 11.125 7.076 ( 0.523 10.864 2.339) 11.125 7.207 ( -3.979 7.482 -4.987) 9.833 7.207 ( -3.979 7.482 4.987) 9.833 7.658 ( 16.358 1.869 -1.407) 16.524 7.658 ( 16.358 1.869 1.407) 16.524 7.791 ( 4.797 0.505 -1.322) 5.002 7.791 ( 4.797 0.505 1.322) 5.002 8.053 ( -3.455 -2.189 -4.741) 6.261 8.053 ( -3.455 -2.189 4.741) 6.261 8.327 ( -1.221 -4.227 -1.571) 4.672 8.327 ( -1.221 -4.227 1.571) 4.672 8.479 ( 0.362 3.323 -2.505) 4.177 8.479 ( 0.362 3.323 2.505) 4.177 8.786 ( -14.164 2.236 -3.269) 14.708 8.786 ( -14.164 2.236 3.269) 14.708 9.102 ( 17.127 8.138 -9.027) 21.001 9.102 ( 17.127 8.138 9.027) 21.001 9.517 ( -26.542 -7.591 -5.670) 28.183 9.517 ( -26.542 -7.591 5.670) 28.183 9.856 ( 1.392 -10.238 -6.676) 12.301 9.856 ( 1.392 -10.238 6.676) 12.301 10.042 ( -2.498 0.195 -7.139) 7.566 10.042 ( -2.498 0.195 7.139) 7.566 10.492 ( 2.288 13.278 -6.625) 15.014 10.492 ( 2.288 13.278 6.625) 15.014 10.659 ( 0.357 -3.113 -4.863) 5.786 10.659 ( 0.357 -3.113 4.863) 5.786 10.859 ( -3.833 4.497 -4.731) 7.569 10.859 ( -3.833 4.497 4.731) 7.569 11.146 ( 2.028 5.646 -4.404) 7.442 11.146 ( 2.028 5.646 4.404) 7.442 11.488 ( 4.543 -1.209 -1.538) 4.946 11.488 ( 4.543 -1.209 1.538) 4.946 11.737 ( -0.856 0.792 -2.689) 2.931 11.737 ( -0.856 0.792 2.689) 2.931 11.918 ( 1.185 -3.726 -0.547) 3.948 11.918 ( 1.185 -3.726 0.547) 3.948 12.141 ( -0.846 1.690 -5.819) 6.118 12.141 ( -0.846 1.690 5.819) 6.118 12.590 ( -0.776 -7.945 -3.556) 8.738 12.590 ( -0.776 -7.945 3.556) 8.738 12.730 ( 5.546 0.399 -1.990) 5.906 12.730 ( 5.546 0.399 1.990) 5.906 13.102 ( 9.151 -5.285 -4.786) 11.601 13.102 ( 9.151 -5.285 4.786) 11.601 13.515 ( 1.067 2.955 -4.504) 5.491 13.515 ( 1.067 2.955 4.504) 5.491 13.731 ( -6.238 1.510 -2.608) 6.928 13.731 ( -6.238 1.510 2.608) 6.928 13.897 ( -6.780 -0.274 -4.790) 8.306 13.897 ( -6.780 -0.274 4.790) 8.306 ======================= Grid point 209 (68/84) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.806 ( 0.000 -0.000 -0.000) 0.000 3.806 ( 0.000 -0.000 0.000) 0.000 4.109 ( 0.000 -0.000 0.000) 0.000 4.109 ( 0.000 -0.000 0.000) 0.000 4.142 ( -0.000 0.000 -0.000) 0.000 4.142 ( -0.000 0.000 0.000) 0.000 4.452 ( 0.000 -0.000 0.000) 0.000 4.452 ( 0.000 -0.000 0.000) 0.000 5.655 ( 0.000 -0.000 -0.000) 0.000 5.655 ( 0.000 -0.000 0.000) 0.000 5.743 ( -0.000 -0.000 0.000) 0.000 5.743 ( -0.000 -0.000 0.000) 0.000 6.051 ( 0.000 -0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.001 6.051 ( -0.000 -0.000 -0.000) 0.001 6.051 ( -0.000 0.000 0.000) 0.000 6.396 ( 0.000 -0.000 0.000) 0.000 6.396 ( -0.000 0.000 0.000) 0.000 6.857 ( 0.000 -0.000 -0.000) 0.000 6.857 ( -0.000 -0.000 0.000) 0.000 6.869 ( -0.000 0.000 -0.000) 0.000 6.869 ( 0.000 0.000 0.000) 0.000 7.122 ( 0.000 -0.000 0.000) 0.000 7.122 ( 0.000 0.000 0.000) 0.000 7.790 ( 0.000 -0.000 0.000) 0.000 7.790 ( 0.000 -0.000 0.000) 0.000 7.800 ( -0.000 -0.000 -0.000) 0.000 7.800 ( 0.000 -0.000 0.000) 0.000 8.062 ( 0.000 -0.000 0.000) 0.000 8.062 ( 0.000 -0.000 0.000) 0.000 8.323 ( -0.000 -0.000 0.000) 0.000 8.323 ( -0.000 -0.000 0.000) 0.000 8.488 ( 0.000 -0.000 0.000) 0.000 8.488 ( 0.000 -0.000 0.000) 0.000 8.621 ( 0.000 -0.000 0.000) 0.000 8.621 ( -0.000 -0.000 0.000) 0.000 9.242 ( -0.000 -0.000 -0.000) 0.000 9.242 ( 0.000 0.000 -0.000) 0.000 9.326 ( -0.000 -0.000 0.000) 0.000 9.326 ( 0.000 0.000 0.000) 0.000 9.954 ( 0.000 -0.000 0.000) 0.000 9.954 ( 0.000 -0.000 0.000) 0.000 10.067 ( -0.000 -0.000 -0.000) 0.000 10.067 ( 0.000 -0.000 0.000) 0.000 10.357 ( 0.000 -0.000 0.000) 0.000 10.357 ( 0.000 0.000 0.000) 0.000 10.701 ( 0.000 -0.000 0.000) 0.000 10.701 ( 0.000 -0.000 0.000) 0.000 10.789 ( 0.000 -0.000 0.000) 0.000 10.789 ( 0.000 -0.000 0.000) 0.000 11.105 ( 0.000 -0.000 -0.000) 0.000 11.105 ( 0.000 -0.000 0.000) 0.000 11.551 ( 0.000 -0.000 0.000) 0.000 11.551 ( 0.000 -0.000 0.000) 0.000 11.704 ( 0.000 -0.000 0.000) 0.000 11.704 ( 0.000 -0.000 0.000) 0.000 11.967 ( 0.000 -0.000 0.000) 0.000 11.967 ( 0.000 -0.000 0.000) 0.000 12.112 ( -0.000 0.000 -0.000) 0.000 12.112 ( 0.000 -0.000 0.000) 0.000 12.655 ( -0.000 -0.000 -0.000) 0.000 12.655 ( 0.000 -0.000 0.000) 0.000 12.746 ( 0.000 -0.000 0.000) 0.000 12.746 ( 0.000 0.000 0.000) 0.000 13.238 ( -0.000 -0.000 -0.000) 0.000 13.238 ( 0.000 -0.000 0.000) 0.000 13.498 ( 0.000 -0.000 0.000) 0.000 13.498 ( 0.000 -0.000 0.000) 0.000 13.644 ( -0.000 0.000 0.000) 0.000 13.644 ( 0.000 -0.000 0.000) 0.000 13.864 ( 0.000 -0.000 0.000) 0.000 13.864 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 221 (69/84) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 12.100 0.000 -33.567) 35.682 2.727 ( 12.100 0.000 33.567) 35.682 2.865 ( 11.252 0.000 -35.529) 37.268 2.865 ( 11.252 0.000 35.529) 37.268 4.667 ( 19.622 0.000 -51.738) 55.334 4.667 ( 19.622 0.000 51.738) 55.334 4.961 ( 1.695 0.000 -17.501) 17.583 4.961 ( 1.695 0.000 17.501) 17.583 5.277 ( -1.584 -0.000 -5.332) 5.562 5.277 ( -1.584 -0.000 5.332) 5.562 5.619 ( -2.217 -0.000 -10.545) 10.776 5.619 ( -2.217 -0.000 10.545) 10.776 5.829 ( -2.002 -0.000 -21.546) 21.639 5.829 ( -2.002 -0.000 21.546) 21.639 6.093 ( -6.516 -0.000 -9.938) 11.884 6.093 ( -6.516 -0.000 9.938) 11.884 6.391 ( -11.000 -0.000 -9.228) 14.358 6.391 ( -11.000 -0.000 9.228) 14.358 7.071 ( 1.343 0.000 -0.036) 1.344 7.071 ( 1.343 0.000 0.036) 1.344 7.249 ( 6.173 0.000 -2.408) 6.626 7.249 ( 6.173 0.000 2.408) 6.626 7.515 ( 12.350 0.000 -2.618) 12.624 7.515 ( 12.350 0.000 2.618) 12.624 7.593 ( -1.832 -0.000 -4.604) 4.955 7.593 ( -1.832 -0.000 4.604) 4.955 7.723 ( 0.324 0.000 -0.289) 0.434 7.723 ( 0.324 0.000 0.289) 0.434 8.078 ( -1.868 -0.000 -6.730) 6.984 8.078 ( -1.868 -0.000 6.730) 6.984 8.162 ( -1.816 -0.000 -1.173) 2.162 8.162 ( -1.816 -0.000 1.173) 2.162 8.570 ( 6.576 0.000 -1.191) 6.683 8.570 ( 6.576 0.000 1.191) 6.683 8.883 ( -3.512 -0.000 -7.488) 8.271 8.883 ( -3.512 -0.000 7.488) 8.271 9.339 ( -1.668 -0.000 -13.004) 13.111 9.339 ( -1.668 -0.000 13.004) 13.111 9.482 ( 0.118 0.000 -3.570) 3.572 9.482 ( 0.118 0.000 3.570) 3.572 9.672 ( -28.270 -0.000 -3.078) 28.437 9.672 ( -28.270 -0.000 3.078) 28.437 10.222 ( -3.944 -0.000 -1.465) 4.207 10.222 ( -3.944 -0.000 1.465) 4.207 10.624 ( -1.130 -0.000 -5.694) 5.805 10.624 ( -1.130 -0.000 5.694) 5.805 10.807 ( -1.982 -0.000 -3.104) 3.683 10.807 ( -1.982 -0.000 3.104) 3.683 11.069 ( 11.802 0.000 -3.619) 12.344 11.069 ( 11.802 0.000 3.619) 12.344 11.297 ( 4.057 0.000 -2.988) 5.039 11.297 ( 4.057 0.000 2.988) 5.039 11.549 ( -5.059 -0.000 -4.123) 6.526 11.549 ( -5.059 -0.000 4.123) 6.526 11.730 ( -1.820 -0.000 -7.916) 8.122 11.730 ( -1.820 -0.000 7.916) 8.122 11.885 ( 1.273 0.000 -6.588) 6.710 11.885 ( 1.273 0.000 6.588) 6.710 12.113 ( -2.690 -0.000 -4.371) 5.133 12.113 ( -2.690 -0.000 4.371) 5.133 12.210 ( -0.807 -0.000 -0.718) 1.080 12.210 ( -0.807 -0.000 0.718) 1.080 12.402 ( 20.209 0.000 -2.680) 20.386 12.402 ( 20.209 0.000 2.680) 20.386 12.907 ( 1.385 0.000 -1.231) 1.853 12.907 ( 1.385 0.000 1.231) 1.853 13.602 ( 1.758 0.000 -6.963) 7.181 13.602 ( 1.758 0.000 6.963) 7.181 13.771 ( -6.398 -0.000 -0.693) 6.436 13.771 ( -6.398 -0.000 0.693) 6.436 14.058 ( -8.493 -0.000 -6.179) 10.503 14.058 ( -8.493 -0.000 6.179) 10.503 ======================= Grid point 223 (70/84) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.000 ( 15.648 -11.377 -28.075) 34.096 3.000 ( 15.648 -11.377 28.075) 34.096 3.102 ( 15.852 -9.208 -26.797) 32.468 3.102 ( 15.852 -9.208 26.797) 32.468 4.885 ( 2.016 10.143 -11.339) 15.347 4.885 ( 2.016 10.143 11.339) 15.347 4.991 ( 17.272 -3.904 -31.631) 36.250 4.991 ( 17.272 -3.904 31.631) 36.250 5.290 ( -1.920 -3.646 -5.898) 7.195 5.290 ( -1.920 -3.646 5.898) 7.195 5.550 ( 0.403 4.305 -6.739) 8.007 5.550 ( 0.403 4.305 6.739) 8.007 5.767 ( -7.182 -0.568 -11.783) 13.811 5.767 ( -7.182 -0.568 11.783) 13.811 6.077 ( -8.183 -5.165 -5.759) 11.261 6.077 ( -8.183 -5.165 5.759) 11.261 6.274 ( -8.476 -6.380 -7.822) 13.180 6.274 ( -8.476 -6.380 7.822) 13.180 7.022 ( -0.069 8.433 -3.944) 9.310 7.022 ( -0.069 8.433 3.944) 9.310 7.283 ( 5.327 4.302 -1.392) 6.988 7.283 ( 5.327 4.302 1.392) 6.988 7.496 ( -3.176 6.800 -6.148) 9.702 7.496 ( -3.176 6.800 6.148) 9.702 7.708 ( 13.209 1.024 -0.693) 13.267 7.708 ( 13.209 1.024 0.693) 13.267 7.750 ( 2.082 -3.545 -0.821) 4.192 7.750 ( 2.082 -3.545 0.821) 4.192 8.040 ( -1.119 1.729 -4.795) 5.219 8.040 ( -1.119 1.729 4.795) 5.219 8.187 ( 0.345 -4.144 -2.252) 4.729 8.187 ( 0.345 -4.144 2.252) 4.729 8.567 ( -3.642 1.471 -2.871) 4.865 8.567 ( -3.642 1.471 2.871) 4.865 8.825 ( -8.587 0.498 -5.806) 10.378 8.825 ( -8.587 0.498 5.806) 10.378 9.229 ( -20.940 -0.052 -5.047) 21.539 9.229 ( -20.940 -0.052 5.047) 21.539 9.378 ( -2.694 -1.829 -9.727) 10.257 9.378 ( -2.694 -1.829 9.727) 10.257 9.603 ( 6.868 -2.811 -1.515) 7.574 9.603 ( 6.868 -2.811 1.515) 7.574 10.153 ( -1.825 3.792 -3.024) 5.182 10.153 ( -1.825 3.792 3.024) 5.182 10.624 ( 2.059 1.262 -5.931) 6.404 10.624 ( 2.059 1.262 5.931) 6.404 10.760 ( -1.667 2.438 -3.317) 4.441 10.760 ( -1.667 2.438 3.317) 4.441 11.117 ( 2.588 10.837 -1.583) 11.254 11.117 ( 2.588 10.837 1.583) 11.254 11.297 ( 6.434 1.729 -2.295) 7.046 11.297 ( 6.434 1.729 2.295) 7.046 11.548 ( -2.183 1.286 -2.801) 3.777 11.548 ( -2.183 1.286 2.801) 3.777 11.686 ( 0.570 -1.456 -2.545) 2.987 11.686 ( 0.570 -1.456 2.545) 2.987 11.868 ( 0.917 2.328 -5.632) 6.162 11.868 ( 0.917 2.328 5.632) 6.162 12.108 ( -4.163 -4.678 -5.379) 8.255 12.108 ( -4.163 -4.678 5.379) 8.255 12.254 ( -5.234 -9.177 -6.269) 12.284 12.254 ( -5.234 -9.177 6.269) 12.284 12.678 ( 15.747 -3.340 -3.183) 16.409 12.678 ( 15.747 -3.340 3.183) 16.409 12.970 ( 6.522 -2.282 -2.868) 7.482 12.970 ( 6.522 -2.282 2.868) 7.482 13.557 ( -6.530 0.465 -1.879) 6.811 13.557 ( -6.530 0.465 1.879) 6.811 13.747 ( 0.788 0.292 -2.549) 2.684 13.747 ( 0.788 0.292 2.549) 2.684 13.928 ( -9.605 1.049 -7.495) 12.228 13.928 ( -9.605 1.049 7.495) 12.228 ======================= Grid point 225 (71/84) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.395 ( 15.428 -13.816 -26.171) 33.374 3.395 ( 15.428 -13.816 26.171) 33.374 3.557 ( 20.360 -18.986 -19.446) 33.957 3.557 ( 20.360 -18.986 19.446) 33.957 4.634 ( -3.995 18.060 -17.621) 25.547 4.634 ( -3.995 18.060 17.621) 25.547 4.951 ( -7.829 16.733 -15.114) 23.868 4.951 ( -7.829 16.733 15.114) 23.868 5.437 ( 0.125 -10.848 -15.181) 18.659 5.437 ( 0.125 -10.848 15.181) 18.659 5.611 ( 7.674 -5.224 -7.857) 12.162 5.611 ( 7.674 -5.224 7.857) 12.162 5.750 ( -3.118 -4.654 -6.864) 8.860 5.750 ( -3.118 -4.654 6.864) 8.860 6.008 ( -7.143 -7.352 -5.907) 11.831 6.008 ( -7.143 -7.352 5.907) 11.831 6.426 ( 2.543 -11.987 -15.375) 19.661 6.426 ( 2.543 -11.987 15.375) 19.661 6.826 ( -2.111 13.818 -7.884) 16.048 6.826 ( -2.111 13.818 7.884) 16.048 7.228 ( -0.729 6.744 -4.047) 7.899 7.228 ( -0.729 6.744 4.047) 7.899 7.305 ( -2.947 11.694 -7.172) 14.031 7.305 ( -2.947 11.694 7.172) 14.031 7.760 ( -3.032 -1.920 -0.885) 3.697 7.760 ( -3.032 -1.920 0.885) 3.697 7.821 ( -0.384 1.836 -3.659) 4.112 7.821 ( -0.384 1.836 3.659) 4.112 8.070 ( 6.485 -1.100 -1.796) 6.818 8.070 ( 6.485 -1.100 1.796) 6.818 8.277 ( 4.821 -2.518 -3.593) 6.518 8.277 ( 4.821 -2.518 3.593) 6.518 8.500 ( -0.259 0.809 -2.738) 2.867 8.500 ( -0.259 0.809 2.738) 2.867 8.642 ( -13.010 1.679 -4.581) 13.895 8.642 ( -13.010 1.679 4.581) 13.895 9.005 ( -24.890 -8.359 -6.025) 26.939 9.005 ( -24.890 -8.359 6.025) 26.939 9.494 ( 17.551 1.801 -9.360) 19.972 9.494 ( 17.551 1.801 9.360) 19.972 9.759 ( 8.013 -5.120 -2.910) 9.945 9.759 ( 8.013 -5.120 2.910) 9.945 10.069 ( -0.692 4.498 -4.329) 6.281 10.069 ( -0.692 4.498 4.329) 6.281 10.635 ( 0.477 1.097 -3.976) 4.152 10.635 ( 0.477 1.097 3.976) 4.152 10.707 ( 2.731 4.123 -2.146) 5.391 10.707 ( 2.731 4.123 2.146) 5.391 10.903 ( -3.442 11.755 -4.515) 13.054 10.903 ( -3.442 11.755 4.515) 13.054 11.298 ( 2.133 9.153 -6.453) 11.400 11.298 ( 2.133 9.153 6.453) 11.400 11.507 ( 2.031 -1.411 -1.212) 2.754 11.507 ( 2.031 -1.411 1.212) 2.754 11.719 ( -3.590 -0.826 -2.412) 4.403 11.719 ( -3.590 -0.826 2.412) 4.403 11.898 ( 4.601 -1.977 -1.228) 5.156 11.898 ( 4.601 -1.977 1.228) 5.156 12.126 ( -2.218 -2.137 -7.411) 8.025 12.126 ( -2.218 -2.137 7.411) 8.025 12.337 ( -7.095 -11.748 -7.190) 15.493 12.337 ( -7.095 -11.748 7.190) 15.493 12.852 ( 6.151 -1.404 -5.657) 8.474 12.852 ( 6.151 -1.404 5.657) 8.474 13.113 ( 5.904 -3.555 -2.192) 7.232 13.113 ( 5.904 -3.555 2.192) 7.232 13.505 ( -1.028 -1.876 -5.259) 5.677 13.505 ( -1.028 -1.876 5.259) 5.677 13.656 ( -12.114 2.485 -3.544) 12.864 13.656 ( -12.114 2.485 3.544) 12.864 13.879 ( 3.599 0.305 -6.190) 7.167 13.879 ( 3.599 0.305 6.190) 7.167 ======================= Grid point 227 (72/84) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.790 ( 13.402 -11.028 -17.262) 24.479 3.790 ( 13.402 -11.028 17.262) 24.479 4.091 ( 14.952 -11.891 -7.354) 20.471 4.091 ( 14.952 -11.891 7.354) 20.471 4.284 ( -2.866 16.375 -11.220) 20.056 4.284 ( -2.866 16.375 11.220) 20.056 4.536 ( -6.923 16.050 -16.010) 23.703 4.536 ( -6.923 16.050 16.010) 23.703 5.404 ( -19.527 -4.862 -0.098) 20.123 5.404 ( -19.527 -4.862 0.098) 20.123 5.744 ( -12.620 -12.803 -3.106) 18.243 5.744 ( -12.620 -12.803 3.106) 18.243 5.897 ( 15.819 -4.733 -3.006) 16.783 5.897 ( 15.819 -4.733 3.006) 16.783 6.204 ( 11.041 -5.521 -15.511) 19.823 6.204 ( 11.041 -5.521 15.511) 19.823 6.465 ( -2.904 12.572 -10.709) 16.769 6.465 ( -2.904 12.572 10.709) 16.769 6.719 ( -0.826 -9.033 -9.496) 13.132 6.719 ( -0.826 -9.033 9.496) 13.132 7.056 ( 0.794 12.737 -4.159) 13.422 7.056 ( 0.794 12.737 4.159) 13.422 7.140 ( -1.895 4.306 -2.880) 5.516 7.140 ( -1.895 4.306 2.880) 5.516 7.633 ( -16.989 0.709 -2.034) 17.125 7.633 ( -16.989 0.709 2.034) 17.125 7.771 ( -5.044 -0.306 -2.074) 5.463 7.771 ( -5.044 -0.306 2.074) 5.463 8.124 ( 2.863 1.103 -1.913) 3.615 8.124 ( 2.863 1.103 1.913) 3.615 8.346 ( 0.055 -2.940 -2.115) 3.622 8.346 ( 0.055 -2.940 2.115) 3.622 8.472 ( -5.314 2.351 -1.309) 5.956 8.472 ( -5.314 2.351 1.309) 5.956 8.684 ( 16.906 -3.763 -4.726) 17.953 8.684 ( 16.906 -3.763 4.726) 17.953 8.853 ( -16.742 -6.865 -6.136) 19.107 8.853 ( -16.742 -6.865 6.136) 19.107 9.704 ( 18.430 1.331 -6.349) 19.538 9.704 ( 18.430 1.331 6.349) 19.538 9.943 ( 7.134 -3.961 -7.008) 10.756 9.943 ( 7.134 -3.961 7.008) 10.756 10.018 ( -0.049 -0.606 -6.406) 6.434 10.018 ( -0.049 -0.606 6.406) 6.434 10.498 ( -1.813 13.198 -3.736) 13.836 10.498 ( -1.813 13.198 3.736) 13.836 10.739 ( 4.107 1.470 -1.232) 4.532 10.739 ( 4.107 1.470 1.232) 4.532 10.768 ( -0.568 0.146 -4.104) 4.146 10.768 ( -0.568 0.146 4.104) 4.146 11.160 ( -0.592 7.132 -3.888) 8.144 11.160 ( -0.592 7.132 3.888) 8.144 11.533 ( -3.564 0.644 -0.635) 3.676 11.533 ( -3.564 0.644 0.635) 3.676 11.696 ( 0.370 -1.704 -0.491) 1.811 11.696 ( 0.370 -1.704 0.491) 1.811 11.958 ( -0.062 -0.829 -1.995) 2.162 11.958 ( -0.062 -0.829 1.995) 2.162 12.127 ( 0.986 0.676 -5.134) 5.271 12.127 ( 0.986 0.676 5.134) 5.271 12.439 ( -6.093 -11.173 -4.882) 13.631 12.439 ( -6.093 -11.173 4.882) 13.631 12.878 ( 1.127 3.487 -6.457) 7.425 12.878 ( 1.127 3.487 6.457) 7.425 13.173 ( -3.579 -2.308 -5.147) 6.681 13.173 ( -3.579 -2.308 5.147) 6.681 13.450 ( -12.081 1.261 -3.689) 12.694 13.450 ( -12.081 1.261 3.689) 12.694 13.616 ( 6.991 -4.864 -4.136) 9.468 13.616 ( 6.991 -4.864 4.136) 9.468 13.940 ( 6.803 1.087 -2.340) 7.276 13.940 ( 6.803 1.087 2.340) 7.276 ======================= Grid point 229 (73/84) ======================= q-point: (-0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( -4.428 21.855 -22.633) 31.772 3.719 ( -4.428 21.855 22.633) 31.772 3.885 ( -9.843 25.077 -20.263) 33.709 3.885 ( -9.843 25.077 20.263) 33.709 4.312 ( 11.149 -12.553 -14.740) 22.341 4.312 ( 11.149 -12.553 14.740) 22.341 4.780 ( 17.290 -15.049 -13.826) 26.769 4.780 ( 17.290 -15.049 13.826) 26.769 5.228 ( -17.166 -5.049 -1.288) 17.939 5.228 ( -17.166 -5.049 1.288) 17.939 5.742 ( -14.209 -4.882 -9.935) 18.012 5.742 ( -14.209 -4.882 9.935) 18.012 6.038 ( -2.679 14.854 -14.691) 21.063 6.038 ( -2.679 14.854 14.691) 21.063 6.159 ( 11.543 -1.160 -5.914) 13.022 6.159 ( 11.543 -1.160 5.914) 13.022 6.452 ( 3.428 0.226 -8.329) 9.010 6.452 ( 3.428 0.226 8.329) 9.010 6.815 ( -1.133 -3.725 -7.499) 8.449 6.815 ( -1.133 -3.725 7.499) 8.449 6.955 ( 0.606 0.182 -6.113) 6.146 6.955 ( 0.606 0.182 6.113) 6.146 7.168 ( 5.932 -4.478 -6.167) 9.658 7.168 ( 5.932 -4.478 6.167) 9.658 7.413 ( -16.120 -1.410 -2.033) 16.309 7.413 ( -16.120 -1.410 2.033) 16.309 7.699 ( -7.439 -0.986 -1.580) 7.669 7.699 ( -7.439 -0.986 1.580) 7.669 8.145 ( 3.914 1.445 -1.312) 4.373 8.145 ( 3.914 1.445 1.312) 4.373 8.362 ( -7.420 -3.362 -2.453) 8.508 8.362 ( -7.420 -3.362 2.453) 8.508 8.395 ( -0.864 1.701 -1.564) 2.467 8.395 ( -0.864 1.701 1.564) 2.467 8.719 ( -10.156 -4.711 -7.685) 13.579 8.719 ( -10.156 -4.711 7.685) 13.579 9.062 ( 22.886 -4.065 -3.288) 23.476 9.062 ( 22.886 -4.065 3.288) 23.476 9.850 ( 5.938 2.134 -3.805) 7.368 9.850 ( 5.938 2.134 3.805) 7.368 9.979 ( 6.699 5.125 -5.998) 10.350 9.979 ( 6.699 5.125 5.998) 10.350 10.123 ( 4.632 -1.415 -3.358) 5.894 10.123 ( 4.632 -1.415 3.358) 5.894 10.337 ( 0.695 0.820 -3.235) 3.409 10.337 ( 0.695 0.820 3.235) 3.409 10.698 ( -3.834 0.925 -3.120) 5.029 10.698 ( -3.834 0.925 3.120) 5.029 10.852 ( 8.047 -0.692 -2.954) 8.600 10.852 ( 8.047 -0.692 2.954) 8.600 11.108 ( 2.338 0.438 -1.908) 3.049 11.108 ( 2.338 0.438 1.908) 3.049 11.434 ( -6.857 1.350 -0.942) 7.052 11.434 ( -6.857 1.350 0.942) 7.052 11.740 ( 0.958 -0.766 -2.278) 2.587 11.740 ( 0.958 -0.766 2.278) 2.587 11.928 ( -3.977 0.970 -2.635) 4.869 11.928 ( -3.977 0.970 2.635) 4.869 12.132 ( 1.076 0.385 -1.606) 1.971 12.132 ( 1.076 0.385 1.606) 1.971 12.484 ( -8.272 -4.203 -3.087) 9.778 12.484 ( -8.272 -4.203 3.087) 9.778 12.811 ( -1.026 3.183 -6.310) 7.141 12.811 ( -1.026 3.183 6.310) 7.141 13.083 ( -4.340 6.018 -5.445) 9.203 13.083 ( -4.340 6.018 5.445) 9.203 13.378 ( -7.062 -6.777 -4.338) 10.706 13.378 ( -7.062 -6.777 4.338) 10.706 13.781 ( 7.321 -3.761 -4.816) 9.536 13.781 ( 7.321 -3.761 4.816) 9.536 14.005 ( 6.818 1.375 -2.144) 7.278 14.005 ( 6.818 1.375 2.144) 7.278 ======================= Grid point 231 (74/84) ======================= q-point: (-0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( -3.580 22.113 -30.143) 37.556 3.312 ( -3.580 22.113 30.143) 37.556 3.374 ( -7.029 25.518 -26.851) 37.704 3.374 ( -7.029 25.518 26.851) 37.704 4.631 ( 8.406 -10.408 -13.161) 18.767 4.631 ( 8.406 -10.408 13.161) 18.767 4.924 ( -7.396 3.507 -11.243) 13.907 4.924 ( -7.396 3.507 11.243) 13.907 5.313 ( 2.343 -8.136 -10.627) 13.587 5.313 ( 2.343 -8.136 10.627) 13.587 5.544 ( 4.564 9.422 -24.354) 26.509 5.544 ( 4.564 9.422 24.354) 26.509 5.852 ( -13.703 -2.719 -15.555) 20.907 5.852 ( -13.703 -2.719 15.555) 20.907 6.291 ( 7.619 2.633 -11.605) 14.130 6.291 ( 7.619 2.633 11.605) 14.130 6.430 ( -0.539 0.743 -10.026) 10.068 6.430 ( -0.539 0.743 10.026) 10.068 6.868 ( 1.631 -3.081 -3.942) 5.262 6.868 ( 1.631 -3.081 3.942) 5.262 6.989 ( -2.135 -3.885 -4.780) 6.519 6.989 ( -2.135 -3.885 4.780) 6.519 7.306 ( -4.530 -5.769 -4.002) 8.356 7.306 ( -4.530 -5.769 4.002) 8.356 7.365 ( 2.556 -7.074 -4.020) 8.528 7.365 ( 2.556 -7.074 4.020) 8.528 7.643 ( -5.345 -2.947 -2.983) 6.794 7.643 ( -5.345 -2.947 2.983) 6.794 8.177 ( 5.199 1.514 -2.237) 5.858 8.177 ( 5.199 1.514 2.237) 5.858 8.303 ( -1.792 2.516 -2.144) 3.760 8.303 ( -1.792 2.516 2.144) 3.760 8.348 ( -8.809 -2.590 -1.325) 9.277 8.348 ( -8.809 -2.590 1.325) 9.277 8.723 ( -2.654 -5.957 -7.375) 9.845 8.723 ( -2.654 -5.957 7.375) 9.845 9.355 ( 14.647 -1.508 -1.352) 14.786 9.355 ( 14.647 -1.508 1.352) 14.786 9.751 ( 0.445 11.639 -2.913) 12.006 9.751 ( 0.445 11.639 2.913) 12.006 10.015 ( 3.297 -2.811 -4.455) 6.215 10.015 ( 3.297 -2.811 4.455) 6.215 10.176 ( 5.147 2.965 -1.032) 6.029 10.176 ( 5.147 2.965 1.032) 6.029 10.450 ( 0.652 -9.538 -8.233) 12.617 10.450 ( 0.652 -9.538 8.233) 12.617 10.656 ( -3.901 -3.360 -4.452) 6.806 10.656 ( -3.901 -3.360 4.452) 6.806 10.959 ( 9.997 2.120 -1.971) 10.407 10.959 ( 9.997 2.120 1.971) 10.407 11.180 ( 4.792 -1.617 -2.194) 5.513 11.180 ( 4.792 -1.617 2.194) 5.513 11.370 ( -4.552 -4.054 -1.515) 6.281 11.370 ( -4.552 -4.054 1.515) 6.281 11.721 ( -3.109 1.308 -3.710) 5.014 11.721 ( -3.109 1.308 3.710) 5.014 11.841 ( -6.006 1.308 -4.973) 7.907 11.841 ( -6.006 1.308 4.973) 7.907 12.117 ( -1.225 2.993 -4.372) 5.438 12.117 ( -1.225 2.993 4.372) 5.438 12.390 ( -6.887 0.563 -4.059) 8.014 12.390 ( -6.887 0.563 4.059) 8.014 12.752 ( 1.107 7.030 -5.448) 8.962 12.752 ( 1.107 7.030 5.448) 8.962 12.961 ( -1.329 3.540 -3.538) 5.178 12.961 ( -1.329 3.540 3.538) 5.178 13.425 ( -3.330 -6.532 -7.272) 10.327 13.425 ( -3.330 -6.532 7.272) 10.327 13.892 ( 4.597 -0.667 -3.656) 5.911 13.892 ( 4.597 -0.667 3.656) 5.911 14.068 ( 4.235 -0.614 -3.946) 5.821 14.068 ( 4.235 -0.614 3.946) 5.821 ======================= Grid point 233 (75/84) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 0.000 21.798 -32.752) 39.343 2.950 ( 0.000 21.798 32.752) 39.343 2.988 ( 0.000 16.643 -35.721) 39.408 2.988 ( 0.000 16.643 35.721) 39.408 4.698 ( 0.000 14.399 -39.169) 41.732 4.698 ( 0.000 14.399 39.169) 41.732 4.827 ( -0.000 -6.867 -16.898) 18.240 4.827 ( -0.000 -6.867 16.898) 18.240 5.297 ( 0.000 0.537 -7.132) 7.152 5.297 ( 0.000 0.537 7.132) 7.152 5.638 ( -0.000 -0.288 -18.451) 18.453 5.638 ( -0.000 -0.288 18.451) 18.453 5.795 ( -0.000 -4.723 -24.658) 25.106 5.795 ( -0.000 -4.723 24.658) 25.106 6.255 ( 0.000 4.907 -13.299) 14.175 6.255 ( 0.000 4.907 13.299) 14.175 6.468 ( -0.000 -3.293 -15.018) 15.375 6.468 ( -0.000 -3.293 15.018) 15.375 6.946 ( -0.000 -6.779 -2.195) 7.126 6.946 ( -0.000 -6.779 2.195) 7.126 7.034 ( -0.000 -2.870 -7.496) 8.027 7.034 ( -0.000 -2.870 7.496) 8.027 7.340 ( -0.000 -3.172 -5.969) 6.759 7.340 ( -0.000 -3.172 5.969) 6.759 7.502 ( -0.000 -6.751 -6.540) 9.399 7.502 ( -0.000 -6.751 6.540) 9.399 7.666 ( -0.000 -3.384 -3.961) 5.210 7.666 ( -0.000 -3.384 3.961) 5.210 8.211 ( 0.000 2.980 -8.046) 8.580 8.211 ( 0.000 2.980 8.046) 8.580 8.234 ( 0.000 2.741 -1.271) 3.021 8.234 ( 0.000 2.741 1.271) 3.021 8.311 ( -0.000 -3.115 -3.194) 4.461 8.311 ( -0.000 -3.115 3.194) 4.461 8.814 ( -0.000 -6.868 -8.148) 10.656 8.814 ( -0.000 -6.868 8.148) 10.656 9.421 ( 0.000 4.028 -4.591) 6.108 9.421 ( 0.000 4.028 4.591) 6.108 9.621 ( 0.000 4.850 -4.050) 6.319 9.621 ( 0.000 4.850 4.050) 6.319 10.124 ( -0.000 -5.832 -4.096) 7.126 10.124 ( -0.000 -5.832 4.096) 7.126 10.129 ( 0.000 5.022 -4.650) 6.844 10.129 ( 0.000 5.022 4.650) 6.844 10.608 ( -0.000 -10.088 -8.105) 12.941 10.608 ( -0.000 -10.088 8.105) 12.941 10.719 ( -0.000 -6.619 -6.232) 9.092 10.719 ( -0.000 -6.619 6.232) 9.092 10.994 ( 0.000 3.758 -2.952) 4.779 10.994 ( 0.000 3.758 2.952) 4.779 11.186 ( 0.000 2.450 -2.060) 3.201 11.186 ( 0.000 2.450 2.060) 3.201 11.485 ( -0.000 -11.556 -5.371) 12.743 11.485 ( -0.000 -11.556 5.371) 12.743 11.676 ( -0.000 -0.378 -5.823) 5.835 11.676 ( -0.000 -0.378 5.823) 5.835 11.781 ( 0.000 0.535 -3.807) 3.845 11.781 ( 0.000 0.535 3.807) 3.845 12.022 ( 0.000 5.551 -7.702) 9.494 12.022 ( 0.000 5.551 7.702) 9.494 12.325 ( 0.000 4.131 -4.902) 6.410 12.325 ( 0.000 4.131 4.902) 6.410 12.603 ( 0.000 11.929 -2.832) 12.261 12.603 ( 0.000 11.929 2.832) 12.261 12.928 ( 0.000 1.036 -3.265) 3.426 12.928 ( 0.000 1.036 3.265) 3.426 13.487 ( -0.000 -4.026 -8.496) 9.402 13.487 ( -0.000 -4.026 8.496) 9.402 13.915 ( 0.000 1.199 -1.875) 2.225 13.915 ( 0.000 1.199 1.875) 2.225 14.121 ( -0.000 -2.330 -3.883) 4.529 14.121 ( -0.000 -2.330 3.883) 4.529 ======================= Grid point 239 (76/84) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 19.649 0.000 -19.959) 28.007 3.132 ( 19.649 0.000 19.959) 28.007 3.251 ( 19.640 0.000 -20.351) 28.283 3.251 ( 19.640 0.000 20.351) 28.283 5.008 ( 1.801 0.000 -14.041) 14.156 5.008 ( 1.801 0.000 14.041) 14.156 5.174 ( -3.706 -0.000 -10.743) 11.364 5.174 ( -3.706 -0.000 10.743) 11.364 5.234 ( 14.584 0.000 -17.129) 22.497 5.234 ( 14.584 0.000 17.129) 22.497 5.546 ( -1.713 -0.000 -1.515) 2.287 5.546 ( -1.713 -0.000 1.515) 2.287 5.760 ( -2.629 -0.000 -6.872) 7.358 5.760 ( -2.629 -0.000 6.872) 7.358 5.899 ( -10.908 -0.000 -1.037) 10.957 5.899 ( -10.908 -0.000 1.037) 10.957 6.066 ( -8.249 -0.000 -5.002) 9.647 6.066 ( -8.249 -0.000 5.002) 9.647 7.094 ( -0.289 -0.000 -3.306) 3.319 7.094 ( -0.289 -0.000 3.306) 3.319 7.357 ( -0.344 -0.000 -3.018) 3.037 7.357 ( -0.344 -0.000 3.018) 3.037 7.524 ( -1.527 -0.000 -4.559) 4.808 7.524 ( -1.527 -0.000 4.559) 4.808 7.693 ( -3.121 -0.000 -0.351) 3.141 7.693 ( -3.121 -0.000 0.351) 3.141 7.880 ( 8.589 0.000 -4.113) 9.523 7.880 ( 8.589 0.000 4.113) 9.523 8.016 ( -5.337 -0.000 -1.291) 5.491 8.016 ( -5.337 -0.000 1.291) 5.491 8.219 ( 10.344 0.000 -10.745) 14.915 8.219 ( 10.344 0.000 10.745) 14.915 8.514 ( -2.893 -0.000 -1.601) 3.307 8.514 ( -2.893 -0.000 1.601) 3.307 8.718 ( -16.491 -0.000 -2.229) 16.641 8.718 ( -16.491 -0.000 2.229) 16.641 8.820 ( -22.945 -0.000 -1.239) 22.978 8.820 ( -22.945 -0.000 1.239) 22.978 9.457 ( 8.380 0.000 -2.937) 8.880 9.457 ( 8.380 0.000 2.937) 8.880 9.746 ( 14.393 0.000 -9.601) 17.301 9.746 ( 14.393 0.000 9.601) 17.301 10.170 ( -0.383 -0.000 -4.384) 4.400 10.170 ( -0.383 -0.000 4.384) 4.400 10.657 ( -1.395 -0.000 -4.300) 4.521 10.657 ( -1.395 -0.000 4.300) 4.521 10.750 ( 0.598 0.000 -0.846) 1.036 10.750 ( 0.598 0.000 0.846) 1.036 11.307 ( 0.803 0.000 -0.751) 1.099 11.307 ( 0.803 0.000 0.751) 1.099 11.350 ( 6.383 0.000 -2.689) 6.927 11.350 ( 6.383 0.000 2.689) 6.927 11.504 ( -0.270 -0.000 -2.119) 2.136 11.504 ( -0.270 -0.000 2.119) 2.136 11.682 ( -1.961 -0.000 -4.827) 5.210 11.682 ( -1.961 -0.000 4.827) 5.210 11.899 ( 0.133 0.000 -3.289) 3.292 11.899 ( 0.133 0.000 3.289) 3.292 12.025 ( -2.512 -0.000 -5.376) 5.934 12.025 ( -2.512 -0.000 5.376) 5.934 12.100 ( -4.419 -0.000 -2.199) 4.936 12.100 ( -4.419 -0.000 2.199) 4.936 12.764 ( 3.135 0.000 -0.182) 3.140 12.764 ( 3.135 0.000 0.182) 3.140 13.082 ( 12.028 0.000 -1.665) 12.143 13.082 ( 12.028 0.000 1.665) 12.143 13.470 ( -5.701 -0.000 -5.128) 7.668 13.470 ( -5.701 -0.000 5.128) 7.668 13.708 ( -11.080 -0.000 -4.431) 11.933 13.708 ( -11.080 -0.000 4.431) 11.933 13.880 ( 2.998 0.000 -8.206) 8.737 13.880 ( 2.998 0.000 8.206) 8.737 ======================= Grid point 241 (77/84) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.453 ( 20.515 -7.473 -18.591) 28.677 3.453 ( 20.515 -7.473 18.591) 28.677 3.596 ( 23.094 -10.360 -14.592) 29.217 3.596 ( 23.094 -10.360 14.592) 29.217 4.879 ( -1.111 15.403 -14.616) 21.263 4.879 ( -1.111 15.403 14.616) 21.263 5.036 ( -11.122 4.989 -3.847) 12.782 5.036 ( -11.122 4.989 3.847) 12.782 5.308 ( -6.510 4.465 -8.242) 11.412 5.308 ( -6.510 4.465 8.242) 11.412 5.532 ( -15.054 -1.949 -4.914) 15.955 5.532 ( -15.054 -1.949 4.914) 15.955 5.668 ( 2.830 -4.417 -1.931) 5.589 5.668 ( 2.830 -4.417 1.931) 5.589 5.933 ( 13.779 -7.203 -24.437) 28.964 5.933 ( 13.779 -7.203 24.437) 28.964 6.195 ( -0.382 -15.554 -12.259) 19.808 6.195 ( -0.382 -15.554 12.259) 19.808 7.003 ( -1.682 9.883 -5.829) 11.596 7.003 ( -1.682 9.883 5.829) 11.596 7.275 ( -5.351 4.515 -6.450) 9.519 7.275 ( -5.351 4.515 6.450) 9.519 7.449 ( -0.362 7.881 -4.598) 9.132 7.449 ( -0.362 7.881 4.598) 9.132 7.650 ( -8.213 -0.932 -1.614) 8.422 7.650 ( -8.213 -0.932 1.614) 8.422 7.823 ( -6.916 3.843 -2.855) 8.411 7.823 ( -6.916 3.843 2.855) 8.411 8.053 ( 0.916 -4.700 -2.702) 5.499 8.053 ( 0.916 -4.700 2.702) 5.499 8.269 ( -8.617 -1.829 -4.660) 9.965 8.269 ( -8.617 -1.829 4.660) 9.965 8.451 ( -11.494 -2.640 -5.337) 12.945 8.451 ( -11.494 -2.640 5.337) 12.945 8.624 ( 11.162 -0.781 -4.104) 11.918 8.624 ( 11.162 -0.781 4.104) 11.918 8.726 ( 1.156 -0.878 -2.579) 2.960 8.726 ( 1.156 -0.878 2.579) 2.960 9.577 ( 5.974 -3.846 -2.899) 7.673 9.577 ( 5.974 -3.846 2.899) 7.673 9.905 ( 11.282 0.546 -6.976) 13.276 9.905 ( 11.282 0.546 6.976) 13.276 10.145 ( 1.830 3.946 -4.820) 6.492 10.145 ( 1.830 3.946 4.820) 6.492 10.609 ( -5.472 -1.129 -1.987) 5.930 10.609 ( -5.472 -1.129 1.987) 5.930 10.780 ( 5.753 1.970 -3.810) 7.176 10.780 ( 5.753 1.970 3.810) 7.176 11.128 ( -0.134 15.196 -1.702) 15.292 11.128 ( -0.134 15.196 1.702) 15.292 11.435 ( 0.784 4.250 -5.839) 7.264 11.435 ( 0.784 4.250 5.839) 7.264 11.509 ( 1.536 -0.372 -0.794) 1.769 11.509 ( 1.536 -0.372 0.794) 1.769 11.645 ( -3.491 -0.556 -0.903) 3.648 11.645 ( -3.491 -0.556 0.903) 3.648 11.932 ( -0.858 -2.681 -1.071) 3.012 11.932 ( -0.858 -2.681 1.071) 3.012 12.019 ( 2.558 -4.755 -1.553) 5.618 12.019 ( 2.558 -4.755 1.553) 5.618 12.145 ( -1.812 -6.074 -7.930) 10.152 12.145 ( -1.812 -6.074 7.930) 10.152 12.801 ( -2.547 -4.664 -2.129) 5.724 12.801 ( -2.547 -4.664 2.129) 5.724 13.159 ( -0.567 1.367 -2.655) 3.039 13.159 ( -0.567 1.367 2.655) 3.039 13.466 ( -0.246 -1.926 -1.972) 2.768 13.466 ( -0.246 -1.926 1.972) 2.768 13.545 ( -7.572 1.028 -2.359) 7.997 13.545 ( -7.572 1.028 2.359) 7.997 13.946 ( 5.947 -0.242 -5.931) 8.402 13.946 ( 5.947 -0.242 5.931) 8.402 ======================= Grid point 243 (78/84) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.838 ( 19.789 -9.012 -15.938) 26.960 3.838 ( 19.789 -9.012 15.938) 26.960 4.109 ( 22.985 -15.710 -10.735) 29.839 4.109 ( 22.985 -15.710 10.735) 29.839 4.557 ( -1.486 22.056 -15.247) 26.854 4.557 ( -1.486 22.056 15.247) 26.854 4.721 ( -10.050 16.576 -10.861) 22.220 4.721 ( -10.050 16.576 10.861) 22.220 5.104 ( -17.432 0.102 -6.359) 18.556 5.104 ( -17.432 0.102 6.359) 18.556 5.343 ( -21.679 -10.101 -1.139) 23.944 5.343 ( -21.679 -10.101 1.139) 23.944 5.947 ( 11.765 -12.079 -4.564) 17.469 5.947 ( 11.765 -12.079 4.564) 17.469 6.271 ( 16.467 -8.472 -23.118) 29.620 6.271 ( 16.467 -8.472 23.118) 29.620 6.414 ( -2.213 -12.482 -8.467) 15.244 6.414 ( -2.213 -12.482 8.467) 15.244 6.765 ( -2.898 16.081 -10.686) 19.524 6.765 ( -2.898 16.081 10.686) 19.524 7.120 ( -7.367 4.554 -8.085) 11.848 7.120 ( -7.367 4.554 8.085) 11.848 7.304 ( 2.553 10.718 -4.435) 11.877 7.304 ( 2.553 10.718 4.435) 11.877 7.476 ( -12.906 4.282 -4.097) 14.202 7.476 ( -12.906 4.282 4.097) 14.202 7.700 ( -6.851 1.321 -1.694) 7.180 7.700 ( -6.851 1.321 1.694) 7.180 8.080 ( -8.158 -5.451 -4.119) 10.641 8.080 ( -8.158 -5.451 4.119) 10.641 8.240 ( -0.740 -3.529 -2.271) 4.262 8.240 ( -0.740 -3.529 2.271) 4.262 8.416 ( -3.474 -2.148 -3.809) 5.585 8.416 ( -3.474 -2.148 3.809) 5.585 8.616 ( -6.752 -1.767 -4.800) 8.470 8.616 ( -6.752 -1.767 4.800) 8.470 8.988 ( 27.688 -0.320 -5.197) 28.173 8.988 ( 27.688 -0.320 5.197) 28.173 9.716 ( 2.632 -6.894 -6.696) 9.964 9.716 ( 2.632 -6.894 6.696) 9.964 9.972 ( -2.218 -0.694 -1.359) 2.692 9.972 ( -2.218 -0.694 1.359) 2.692 10.148 ( 10.390 3.433 -2.238) 11.169 10.148 ( 10.390 3.433 2.238) 11.169 10.559 ( -5.260 0.022 -0.912) 5.339 10.559 ( -5.260 0.022 0.912) 5.339 10.813 ( 3.814 6.582 -1.309) 7.719 10.813 ( 3.814 6.582 1.309) 7.719 10.918 ( 4.691 9.159 -1.987) 10.480 10.918 ( 4.691 9.159 1.987) 10.480 11.293 ( -0.003 9.674 -5.207) 10.986 11.293 ( -0.003 9.674 5.207) 10.986 11.497 ( -4.829 2.420 -0.512) 5.426 11.497 ( -4.829 2.420 0.512) 5.426 11.658 ( 1.367 -3.755 -1.601) 4.305 11.658 ( 1.367 -3.755 1.601) 4.305 11.936 ( -2.669 -0.839 -2.242) 3.585 11.936 ( -2.669 -0.839 2.242) 3.585 12.142 ( 2.511 -2.004 -6.562) 7.307 12.142 ( 2.511 -2.004 6.562) 7.307 12.246 ( 1.934 -8.192 -1.241) 8.508 12.246 ( 1.934 -8.192 1.241) 8.508 12.820 ( -6.651 -3.360 -3.970) 8.443 12.820 ( -6.651 -3.360 3.970) 8.443 13.089 ( -8.579 -3.642 -1.734) 9.480 13.089 ( -8.579 -3.642 1.734) 9.480 13.345 ( -6.336 4.288 -1.361) 7.771 13.345 ( -6.336 4.288 1.361) 7.771 13.642 ( 7.227 -4.363 -4.689) 9.657 13.642 ( 7.227 -4.363 4.689) 9.657 14.022 ( 5.352 -0.376 -3.300) 6.299 14.022 ( 5.352 -0.376 3.300) 6.299 ======================= Grid point 245 (79/84) ======================= q-point: (-0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.047 ( 4.164 19.484 -13.802) 24.238 4.047 ( 4.164 19.484 13.802) 24.238 4.171 ( -3.431 21.400 -15.369) 26.570 4.171 ( -3.431 21.400 15.369) 26.570 4.334 ( 9.597 -1.225 -12.609) 15.894 4.334 ( 9.597 -1.225 12.609) 15.894 4.769 ( 17.684 -14.443 -5.056) 23.386 4.769 ( 17.684 -14.443 5.056) 23.386 4.913 ( -15.311 -7.488 -3.733) 17.448 4.913 ( -15.311 -7.488 3.733) 17.448 5.307 ( -20.294 -17.133 -3.829) 26.833 5.307 ( -20.294 -17.133 3.829) 26.833 6.243 ( 9.578 -3.478 -4.250) 11.041 6.243 ( 9.578 -3.478 4.250) 11.041 6.363 ( 1.753 17.752 -14.282) 22.852 6.363 ( 1.753 17.752 14.282) 22.852 6.496 ( 1.045 -0.025 -11.109) 11.158 6.496 ( 1.045 -0.025 11.109) 11.158 6.633 ( -1.220 -10.885 -6.649) 12.813 6.633 ( -1.220 -10.885 6.649) 12.813 6.982 ( -4.469 2.411 -7.220) 8.827 6.982 ( -4.469 2.411 7.220) 8.827 7.229 ( -0.478 2.612 -1.152) 2.894 7.229 ( -0.478 2.612 1.152) 2.894 7.286 ( -1.419 4.402 -0.624) 4.667 7.286 ( -1.419 4.402 0.624) 4.667 7.598 ( -6.898 0.367 -3.025) 7.541 7.598 ( -6.898 0.367 3.025) 7.541 8.083 ( -6.034 -6.858 -4.879) 10.356 8.083 ( -6.034 -6.858 4.879) 10.356 8.292 ( 3.102 -0.345 -0.306) 3.136 8.292 ( 3.102 -0.345 0.306) 3.136 8.391 ( -3.473 0.544 -0.459) 3.545 8.391 ( -3.473 0.544 0.459) 3.545 8.585 ( -3.060 -2.841 -4.652) 6.251 8.585 ( -3.060 -2.841 4.652) 6.251 9.318 ( 21.794 -0.497 -2.866) 21.987 9.318 ( 21.794 -0.497 2.866) 21.987 9.834 ( 0.199 -5.073 -8.556) 9.949 9.834 ( 0.199 -5.073 8.556) 9.949 9.936 ( -7.771 -5.202 -4.182) 10.244 9.936 ( -7.771 -5.202 4.182) 10.244 10.235 ( 7.393 2.877 -5.612) 9.717 10.235 ( 7.393 2.877 5.612) 9.717 10.473 ( 1.549 5.864 -2.325) 6.495 10.473 ( 1.549 5.864 2.325) 6.495 10.641 ( -6.232 7.012 -3.525) 10.022 10.641 ( -6.232 7.012 3.525) 10.022 11.006 ( 10.888 -0.758 -5.152) 12.069 11.006 ( 10.888 -0.758 5.152) 12.069 11.200 ( 4.713 5.358 -1.204) 7.237 11.200 ( 4.713 5.358 1.204) 7.237 11.374 ( -7.160 2.613 -0.489) 7.638 11.374 ( -7.160 2.613 0.489) 7.638 11.716 ( -0.775 -1.456 -4.044) 4.367 11.716 ( -0.775 -1.456 4.044) 4.367 11.893 ( -2.953 1.371 -3.661) 4.899 11.893 ( -2.953 1.371 3.661) 4.899 12.184 ( 4.614 0.755 -6.847) 8.291 12.184 ( 4.614 0.755 6.847) 8.291 12.339 ( -4.901 -3.253 -4.478) 7.393 12.339 ( -4.901 -3.253 4.478) 7.393 12.755 ( -5.493 -2.061 -3.124) 6.647 12.755 ( -5.493 -2.061 3.124) 6.647 13.125 ( -2.620 -8.240 -3.464) 9.315 13.125 ( -2.620 -8.240 3.464) 9.315 13.213 ( -3.144 5.043 -1.316) 6.087 13.213 ( -3.144 5.043 1.316) 6.087 13.786 ( 4.140 -4.708 -4.755) 7.869 13.786 ( 4.140 -4.708 4.755) 7.869 14.082 ( 3.431 0.031 -0.715) 3.505 14.082 ( 3.431 0.031 0.715) 3.505 ======================= Grid point 247 (80/84) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.665 ( 0.000 25.615 -24.125) 35.187 3.665 ( 0.000 25.615 24.125) 35.187 3.742 ( 0.000 26.922 -24.064) 36.109 3.742 ( 0.000 26.922 24.064) 36.109 4.564 ( -0.000 -9.034 -12.398) 15.340 4.564 ( -0.000 -9.034 12.398) 15.340 4.824 ( -0.000 -4.905 -5.391) 7.288 4.824 ( -0.000 -4.905 5.391) 7.288 5.243 ( -0.000 -10.260 -13.495) 16.952 5.243 ( -0.000 -10.260 13.495) 16.952 5.405 ( -0.000 -20.903 -11.045) 23.641 5.405 ( -0.000 -20.903 11.045) 23.641 5.956 ( 0.000 23.921 -24.188) 34.018 5.956 ( 0.000 23.921 24.188) 34.018 6.415 ( 0.000 1.844 -6.661) 6.912 6.415 ( 0.000 1.844 6.661) 6.912 6.428 ( 0.000 2.234 -7.841) 8.153 6.428 ( 0.000 2.234 7.841) 8.153 6.789 ( -0.000 -7.673 -6.688) 10.179 6.789 ( -0.000 -7.673 6.688) 10.179 6.951 ( -0.000 -0.910 -7.007) 7.066 6.951 ( -0.000 -0.910 7.007) 7.066 7.190 ( -0.000 -2.779 -3.363) 4.363 7.190 ( -0.000 -2.779 3.363) 4.363 7.319 ( -0.000 -3.236 -6.970) 7.684 7.319 ( -0.000 -3.236 6.970) 7.684 7.556 ( -0.000 -2.000 -4.450) 4.879 7.556 ( -0.000 -2.000 4.450) 4.879 8.149 ( -0.000 -6.392 -4.677) 7.920 8.149 ( -0.000 -6.392 4.677) 7.920 8.313 ( 0.000 3.039 -5.613) 6.383 8.313 ( 0.000 3.039 5.613) 6.383 8.324 ( 0.000 1.518 -2.825) 3.207 8.324 ( 0.000 1.518 2.825) 3.207 8.626 ( -0.000 -4.559 -4.500) 6.406 8.626 ( -0.000 -4.559 4.500) 6.406 9.460 ( 0.000 0.802 -0.530) 0.961 9.460 ( 0.000 0.802 0.530) 0.961 9.903 ( 0.000 4.130 -7.044) 8.165 9.903 ( 0.000 4.130 7.044) 8.165 9.931 ( -0.000 -6.582 -7.437) 9.931 9.931 ( -0.000 -6.582 7.437) 9.931 10.222 ( 0.000 1.430 -8.623) 8.741 10.222 ( 0.000 1.430 8.623) 8.741 10.436 ( 0.000 4.744 -1.616) 5.012 10.436 ( 0.000 4.744 1.616) 5.012 10.542 ( -0.000 -3.923 -6.929) 7.962 10.542 ( -0.000 -3.923 6.929) 7.962 11.091 ( 0.000 1.741 -5.105) 5.394 11.091 ( 0.000 1.741 5.105) 5.394 11.248 ( -0.000 -3.022 -3.085) 4.318 11.248 ( -0.000 -3.022 3.085) 4.318 11.260 ( 0.000 2.472 -0.596) 2.543 11.260 ( 0.000 2.472 0.596) 2.543 11.689 ( 0.000 1.033 -5.766) 5.858 11.689 ( 0.000 1.033 5.766) 5.858 11.841 ( 0.000 2.581 -4.306) 5.020 11.841 ( 0.000 2.581 4.306) 5.020 12.195 ( 0.000 5.090 -9.234) 10.544 12.195 ( 0.000 5.090 9.234) 10.544 12.310 ( -0.000 -3.280 -2.603) 4.187 12.310 ( -0.000 -3.280 2.603) 4.187 12.776 ( -0.000 -2.559 -6.088) 6.604 12.776 ( -0.000 -2.559 6.088) 6.604 13.065 ( 0.000 9.001 -3.578) 9.686 13.065 ( 0.000 9.001 3.578) 9.686 13.274 ( -0.000 -9.822 -6.545) 11.802 13.274 ( -0.000 -9.822 6.545) 11.802 13.881 ( -0.000 -3.903 -4.865) 6.238 13.881 ( -0.000 -3.903 4.865) 6.238 14.099 ( 0.000 0.681 -2.874) 2.954 14.099 ( 0.000 0.681 2.874) 2.954 ======================= Grid point 257 (81/84) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.668 ( 22.780 0.000 -9.846) 24.817 3.668 ( 22.780 0.000 9.846) 24.817 3.815 ( 25.124 0.000 -8.560) 26.542 3.815 ( 25.124 0.000 8.560) 26.542 4.795 ( -17.996 -0.000 -2.953) 18.237 4.795 ( -17.996 -0.000 2.953) 18.237 5.140 ( 0.786 0.000 -3.333) 3.425 5.140 ( 0.786 0.000 3.333) 3.425 5.167 ( -19.047 -0.000 -1.001) 19.073 5.167 ( -19.047 -0.000 1.001) 19.073 5.390 ( -3.522 -0.000 -9.704) 10.324 5.390 ( -3.522 -0.000 9.704) 10.324 5.697 ( -3.400 -0.000 -0.998) 3.544 5.697 ( -3.400 -0.000 0.998) 3.544 5.821 ( -2.380 -0.000 -0.143) 2.384 5.821 ( -2.380 -0.000 0.143) 2.384 6.250 ( 21.974 0.000 -28.424) 35.928 6.250 ( 21.974 0.000 28.424) 35.928 7.060 ( -1.987 -0.000 -4.769) 5.166 7.060 ( -1.987 -0.000 4.769) 5.166 7.215 ( -10.334 -0.000 -11.305) 15.317 7.215 ( -10.334 -0.000 11.305) 15.317 7.519 ( 1.045 0.000 -2.266) 2.495 7.519 ( 1.045 0.000 2.266) 2.495 7.545 ( -7.915 -0.000 -1.797) 8.117 7.545 ( -7.915 -0.000 1.797) 8.117 7.765 ( -7.563 -0.000 -0.222) 7.566 7.765 ( -7.563 -0.000 0.222) 7.566 7.943 ( -12.403 -0.000 -6.373) 13.944 7.943 ( -12.403 -0.000 6.373) 13.944 8.151 ( 0.183 0.000 -0.555) 0.584 8.151 ( 0.183 0.000 0.555) 0.584 8.346 ( -3.482 -0.000 -4.999) 6.092 8.346 ( -3.482 -0.000 4.999) 6.092 8.595 ( -4.377 -0.000 -3.753) 5.765 8.595 ( -4.377 -0.000 3.753) 5.765 8.998 ( 27.788 0.000 -4.509) 28.151 8.998 ( 27.788 0.000 4.509) 28.151 9.605 ( 3.523 0.000 -1.379) 3.783 9.605 ( 3.523 0.000 1.379) 3.783 9.970 ( -1.068 -0.000 -1.412) 1.770 9.970 ( -1.068 -0.000 1.412) 1.770 10.218 ( 4.423 0.000 -7.129) 8.390 10.218 ( 4.423 0.000 7.129) 8.390 10.518 ( -5.916 -0.000 -5.697) 8.213 10.518 ( -5.916 -0.000 5.697) 8.213 10.873 ( 5.575 0.000 -5.252) 7.660 10.873 ( 5.575 0.000 5.252) 7.660 11.228 ( -5.675 -0.000 -3.148) 6.489 11.228 ( -5.675 -0.000 3.148) 6.489 11.498 ( 0.909 0.000 -0.090) 0.914 11.498 ( 0.909 0.000 0.090) 0.914 11.508 ( 5.613 0.000 -0.362) 5.625 11.508 ( 5.613 0.000 0.362) 5.625 11.652 ( -0.664 -0.000 -1.845) 1.961 11.652 ( -0.664 -0.000 1.845) 1.961 11.821 ( -5.304 -0.000 -1.404) 5.487 11.821 ( -5.304 -0.000 1.404) 5.487 12.077 ( 4.147 0.000 -3.719) 5.570 12.077 ( 4.147 0.000 3.719) 5.570 12.102 ( 6.970 0.000 -1.072) 7.052 12.102 ( 6.970 0.000 1.072) 7.052 12.719 ( -3.927 -0.000 -0.909) 4.031 12.719 ( -3.927 -0.000 0.909) 4.031 13.055 ( -16.042 -0.000 -2.574) 16.247 13.055 ( -16.042 -0.000 2.574) 16.247 13.437 ( -3.181 -0.000 -0.872) 3.298 13.437 ( -3.181 -0.000 0.872) 3.298 13.550 ( 6.565 0.000 -2.589) 7.058 13.550 ( 6.565 0.000 2.589) 7.058 14.011 ( 4.769 0.000 -5.087) 6.973 14.011 ( 4.769 0.000 5.087) 6.973 ======================= Grid point 259 (82/84) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.993 ( 21.854 -5.168 -9.208) 24.271 3.993 ( 21.854 -5.168 9.208) 24.271 4.206 ( 24.876 -9.264 -6.322) 27.287 4.206 ( 24.876 -9.264 6.322) 27.287 4.582 ( -19.508 -2.619 -3.144) 19.933 4.582 ( -19.508 -2.619 3.144) 19.933 4.891 ( -19.156 0.271 -2.000) 19.262 4.891 ( -19.156 0.271 2.000) 19.262 4.950 ( -3.599 17.546 -8.971) 20.033 4.950 ( -3.599 17.546 8.971) 20.033 5.178 ( -6.305 19.277 -14.586) 24.983 5.178 ( -6.305 19.277 14.586) 24.983 5.824 ( 6.913 -17.666 -5.242) 19.681 5.824 ( 6.913 -17.666 5.242) 19.681 6.012 ( -6.085 -19.901 -9.512) 22.881 6.012 ( -6.085 -19.901 9.512) 22.881 6.527 ( 19.955 0.406 -25.217) 32.160 6.527 ( 19.955 0.406 25.217) 32.160 6.941 ( -4.946 9.533 -8.434) 13.655 6.941 ( -4.946 9.533 8.434) 13.655 7.062 ( -8.977 2.615 -10.419) 13.999 7.062 ( -8.977 2.615 10.419) 13.999 7.402 ( -6.144 5.574 -4.328) 9.357 7.402 ( -6.144 5.574 4.328) 9.357 7.502 ( 2.387 5.565 -2.725) 6.640 7.502 ( 2.387 5.565 2.725) 6.640 7.655 ( -5.335 2.636 -2.534) 6.468 7.655 ( -5.335 2.636 2.534) 6.468 7.859 ( -8.217 -6.246 -6.543) 12.220 7.859 ( -8.217 -6.246 6.543) 12.220 8.223 ( 4.642 -3.160 -1.452) 5.801 8.223 ( 4.642 -3.160 1.452) 5.801 8.331 ( -3.489 -2.920 -3.717) 5.874 8.331 ( -3.489 -2.920 3.717) 5.874 8.549 ( -2.799 0.019 -4.456) 5.263 8.549 ( -2.799 0.019 4.456) 5.263 9.330 ( 25.202 0.710 -3.698) 25.482 9.330 ( 25.202 0.710 3.698) 25.482 9.661 ( 1.466 -3.242 -4.338) 5.610 9.661 ( 1.466 -3.242 4.338) 5.610 9.885 ( -11.351 0.268 -2.468) 11.620 9.885 ( -11.351 0.268 2.468) 11.620 10.267 ( 4.600 0.178 -7.808) 9.064 10.267 ( 4.600 0.178 7.808) 9.064 10.476 ( -3.548 -1.486 -6.323) 7.401 10.476 ( -3.548 -1.486 6.323) 7.401 10.934 ( 4.704 -0.323 -6.324) 7.888 10.934 ( 4.704 -0.323 6.324) 7.888 11.077 ( -3.582 9.719 -2.354) 10.622 11.077 ( -3.582 9.719 2.354) 10.622 11.428 ( 1.067 6.923 -2.144) 7.325 11.428 ( 1.067 6.923 2.144) 7.325 11.532 ( -2.945 8.698 -2.151) 9.432 11.532 ( -2.945 8.698 2.151) 9.432 11.642 ( 5.020 -3.893 -2.546) 6.844 11.642 ( 5.020 -3.893 2.546) 6.844 11.839 ( -3.965 -6.116 -1.820) 7.513 11.839 ( -3.965 -6.116 1.820) 7.513 12.137 ( 2.509 -1.783 -2.569) 4.009 12.137 ( 2.509 -1.783 2.569) 4.009 12.254 ( 10.614 -2.222 -6.091) 12.437 12.254 ( 10.614 -2.222 6.091) 12.437 12.700 ( -3.986 -2.433 -2.319) 5.214 12.700 ( -3.986 -2.433 2.319) 5.214 12.852 ( -16.294 -4.122 -4.362) 17.364 12.852 ( -16.294 -4.122 4.362) 17.364 13.386 ( -0.406 3.711 -4.157) 5.587 13.386 ( -0.406 3.711 4.157) 5.587 13.651 ( 4.064 -3.391 -3.249) 6.211 13.651 ( 4.064 -3.391 3.249) 6.211 14.063 ( 2.733 -0.665 -3.781) 4.713 14.063 ( 2.733 -0.665 3.781) 4.713 ======================= Grid point 261 (83/84) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.291 ( -0.000 -5.093 -7.001) 8.658 4.291 ( -0.000 -5.093 7.001) 8.658 4.376 ( 0.000 5.720 -9.433) 11.032 4.376 ( 0.000 5.720 9.433) 11.032 4.512 ( 0.000 20.976 -12.919) 24.635 4.512 ( 0.000 20.976 12.919) 24.635 4.717 ( -0.000 -15.069 -5.689) 16.107 4.717 ( -0.000 -15.069 5.689) 16.107 4.781 ( -0.000 -0.033 -4.895) 4.895 4.781 ( -0.000 -0.033 4.895) 4.895 4.881 ( 0.000 1.763 -7.614) 7.815 4.881 ( 0.000 1.763 7.614) 7.815 6.192 ( -0.000 -13.563 -7.479) 15.489 6.192 ( -0.000 -13.563 7.479) 15.489 6.228 ( -0.000 -19.734 -2.236) 19.860 6.228 ( -0.000 -19.734 2.236) 19.860 6.641 ( 0.000 4.031 -21.077) 21.459 6.641 ( 0.000 4.031 21.077) 21.459 6.698 ( 0.000 16.314 -12.263) 20.409 6.698 ( 0.000 16.314 12.263) 20.409 6.955 ( 0.000 1.041 -11.111) 11.159 6.955 ( 0.000 1.041 11.111) 11.159 7.266 ( 0.000 5.837 -4.338) 7.273 7.266 ( 0.000 5.837 4.338) 7.273 7.414 ( 0.000 7.836 -1.852) 8.052 7.414 ( 0.000 7.836 1.852) 8.052 7.572 ( 0.000 2.501 -5.338) 5.895 7.572 ( 0.000 2.501 5.338) 5.895 7.921 ( -0.000 -7.852 -6.224) 10.020 7.921 ( -0.000 -7.852 6.224) 10.020 8.316 ( -0.000 -2.047 -4.153) 4.630 8.316 ( -0.000 -2.047 4.153) 4.630 8.337 ( -0.000 -2.465 -0.960) 2.646 8.337 ( -0.000 -2.465 0.960) 2.646 8.536 ( -0.000 -1.022 -5.007) 5.111 8.536 ( -0.000 -1.022 5.007) 5.111 9.513 ( 0.000 2.303 -1.108) 2.556 9.513 ( 0.000 2.303 1.108) 2.556 9.749 ( -0.000 -6.474 -8.017) 10.305 9.749 ( -0.000 -6.474 8.017) 10.305 9.775 ( -0.000 -2.565 -6.376) 6.872 9.775 ( -0.000 -2.565 6.376) 6.872 10.308 ( 0.000 0.179 -9.716) 9.718 10.308 ( 0.000 0.179 9.716) 9.718 10.469 ( -0.000 -1.354 -7.575) 7.695 10.469 ( -0.000 -1.354 7.575) 7.695 10.834 ( 0.000 16.183 -1.029) 16.216 10.834 ( 0.000 16.183 1.029) 16.216 11.022 ( -0.000 -4.069 -6.935) 8.040 11.022 ( -0.000 -4.069 6.935) 8.040 11.357 ( 0.000 4.214 -1.090) 4.353 11.357 ( 0.000 4.214 1.090) 4.353 11.362 ( 0.000 8.401 -2.632) 8.803 11.362 ( 0.000 8.401 2.632) 8.803 11.711 ( -0.000 -0.432 -4.150) 4.173 11.711 ( -0.000 -0.432 4.150) 4.173 11.876 ( -0.000 -1.904 -1.931) 2.711 11.876 ( -0.000 -1.904 1.931) 2.711 12.193 ( -0.000 -3.544 -4.329) 5.595 12.193 ( -0.000 -3.544 4.329) 5.595 12.319 ( 0.000 2.718 -10.719) 11.059 12.319 ( 0.000 2.718 10.719) 11.059 12.675 ( -0.000 -2.028 -2.314) 3.077 12.675 ( -0.000 -2.028 2.314) 3.077 12.907 ( -0.000 -12.470 -3.395) 12.924 12.907 ( -0.000 -12.470 3.395) 12.924 13.309 ( 0.000 5.967 -4.621) 7.547 13.309 ( 0.000 5.967 4.621) 7.547 13.740 ( -0.000 -4.541 -4.365) 6.299 13.740 ( -0.000 -4.541 4.365) 6.299 14.094 ( -0.000 -0.915 -2.145) 2.332 14.094 ( -0.000 -0.915 2.145) 2.332 ======================= Grid point 277 (84/84) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.148 ( 0.000 0.000 -1.983) 1.983 4.148 ( 0.000 0.000 1.983) 1.983 4.366 ( -0.000 -0.000 -4.838) 4.838 4.366 ( -0.000 -0.000 4.838) 4.838 4.380 ( 0.000 0.000 -0.035) 0.035 4.380 ( 0.000 0.000 0.035) 0.035 4.610 ( -0.000 -0.000 -3.544) 3.544 4.610 ( -0.000 -0.000 3.544) 3.544 5.225 ( 0.000 0.000 -1.144) 1.144 5.225 ( 0.000 0.000 1.144) 1.144 5.347 ( -0.000 -0.000 -3.129) 3.129 5.347 ( -0.000 -0.000 3.129) 3.129 5.644 ( 0.000 0.000 -2.532) 2.532 5.644 ( 0.000 0.000 2.532) 2.532 5.764 ( 0.000 0.000 -1.347) 1.347 5.764 ( 0.000 0.000 1.347) 1.347 6.729 ( -0.000 -0.000 -24.857) 24.857 6.729 ( 0.000 0.000 24.857) 24.857 6.881 ( 0.000 0.000 -14.623) 14.623 6.881 ( -0.000 -0.000 14.623) 14.623 7.063 ( 0.000 0.000 -3.029) 3.029 7.063 ( 0.000 0.000 3.029) 3.029 7.411 ( 0.000 0.000 -2.950) 2.950 7.411 ( 0.000 0.000 2.950) 2.950 7.576 ( -0.000 -0.000 -1.225) 1.225 7.576 ( -0.000 -0.000 1.225) 1.225 7.636 ( 0.000 0.000 -3.470) 3.470 7.636 ( 0.000 0.000 3.470) 3.470 7.748 ( 0.000 0.000 -6.116) 6.116 7.748 ( 0.000 0.000 6.116) 6.116 8.251 ( 0.000 0.000 -3.342) 3.342 8.251 ( 0.000 0.000 3.342) 3.342 8.258 ( -0.000 -0.000 -0.704) 0.704 8.258 ( -0.000 -0.000 0.704) 0.704 8.533 ( 0.000 0.000 -4.287) 4.287 8.533 ( 0.000 0.000 4.287) 4.287 9.554 ( 0.000 0.000 -1.060) 1.060 9.554 ( 0.000 0.000 1.060) 1.060 9.653 ( 0.000 0.000 -0.684) 0.684 9.653 ( 0.000 0.000 0.684) 0.684 9.751 ( -0.000 -0.000 -4.790) 4.790 9.751 ( -0.000 -0.000 4.790) 4.790 10.289 ( 0.000 0.000 -10.039) 10.039 10.289 ( 0.000 0.000 10.039) 10.039 10.446 ( 0.000 0.000 -8.731) 8.731 10.446 ( 0.000 0.000 8.731) 8.731 10.948 ( 0.000 0.000 -8.035) 8.035 10.948 ( 0.000 0.000 8.035) 8.035 11.125 ( 0.000 0.000 -2.639) 2.639 11.125 ( 0.000 0.000 2.639) 2.639 11.523 ( 0.000 0.000 -1.937) 1.937 11.523 ( 0.000 0.000 1.937) 1.937 11.631 ( 0.000 0.000 -3.097) 3.097 11.631 ( -0.000 -0.000 3.097) 3.097 11.641 ( 0.000 0.000 -4.693) 4.693 11.641 ( 0.000 0.000 4.693) 4.693 11.697 ( 0.000 0.000 -0.661) 0.661 11.697 ( -0.000 -0.000 0.661) 0.661 12.142 ( 0.000 0.000 -1.506) 1.506 12.142 ( 0.000 0.000 1.506) 1.506 12.356 ( 0.000 0.000 -7.477) 7.477 12.356 ( 0.000 0.000 7.477) 7.477 12.655 ( -0.000 -0.000 -6.754) 6.754 12.655 ( 0.000 0.000 6.754) 6.754 12.668 ( 0.000 0.000 -1.358) 1.358 12.668 ( -0.000 -0.000 1.358) 1.358 13.415 ( 0.000 0.000 -5.411) 5.411 13.415 ( 0.000 0.000 5.411) 5.411 13.647 ( 0.000 0.000 -0.676) 0.676 13.647 ( 0.000 0.000 0.676) 0.676 14.074 ( 0.000 0.000 -3.893) 3.893 14.074 ( 0.000 0.000 3.893) 3.893 =================== 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 3/27648 10.0 1464.827 2358.722 933.512 0.000 0.000 -0.000 3/27648 20.0 2590.331 3761.040 2167.461 0.000 0.000 -0.000 3/27648 30.0 1526.985 1916.986 1472.993 0.000 0.000 0.000 3/27648 40.0 848.401 976.376 852.334 0.000 0.000 0.000 3/27648 50.0 490.657 545.701 500.867 0.000 0.000 0.000 3/27648 60.0 305.980 335.856 315.712 0.000 0.000 0.000 3/27648 70.0 206.463 225.073 214.694 0.000 0.000 0.000 3/27648 80.0 149.162 161.610 155.767 0.000 0.000 0.000 3/27648 90.0 113.947 122.572 119.059 0.000 0.000 0.000 3/27648 100.0 91.013 97.080 94.847 0.000 0.000 0.000 3/27648 110.0 75.305 79.581 78.088 0.000 0.000 0.000 3/27648 120.0 64.072 67.054 66.009 0.000 0.000 0.000 3/27648 130.0 55.736 57.764 56.998 0.000 0.000 0.000 3/27648 140.0 49.350 50.663 50.078 0.000 0.000 0.000 3/27648 150.0 44.324 45.094 44.629 0.000 0.000 0.000 3/27648 160.0 40.274 40.630 40.246 0.000 0.000 0.000 3/27648 170.0 36.946 36.981 36.655 0.000 0.000 0.000 3/27648 180.0 34.163 33.949 33.664 0.000 0.000 0.000 3/27648 190.0 31.801 31.393 31.138 0.000 0.000 0.000 3/27648 200.0 29.770 29.210 28.978 0.000 0.000 0.000 3/27648 210.0 28.003 27.325 27.111 0.000 0.000 0.000 3/27648 220.0 26.451 25.681 25.480 0.000 0.000 0.000 3/27648 230.0 25.077 24.234 24.044 0.000 0.000 0.000 3/27648 240.0 23.849 22.951 22.770 0.000 0.000 0.000 3/27648 250.0 22.745 21.805 21.632 0.000 0.000 0.000 3/27648 260.0 21.747 20.775 20.608 0.000 0.000 0.000 3/27648 270.0 20.839 19.843 19.682 0.000 0.000 0.000 3/27648 280.0 20.009 18.997 18.841 0.000 0.000 0.000 3/27648 290.0 19.248 18.224 18.073 0.000 0.000 0.000 3/27648 300.0 18.546 17.516 17.368 0.000 0.000 0.000 3/27648 310.0 17.896 16.863 16.720 0.000 0.000 0.000 3/27648 320.0 17.293 16.261 16.120 0.000 0.000 0.000 3/27648 330.0 16.732 15.702 15.565 0.000 0.000 0.000 3/27648 340.0 16.208 15.183 15.049 0.000 0.000 0.000 3/27648 350.0 15.718 14.699 14.567 0.000 0.000 0.000 3/27648 360.0 15.257 14.246 14.117 0.000 0.000 0.000 3/27648 370.0 14.825 13.822 13.696 0.000 0.000 0.000 3/27648 380.0 14.417 13.423 13.300 0.000 0.000 0.000 3/27648 390.0 14.032 13.048 12.927 0.000 0.000 0.000 3/27648 400.0 13.668 12.695 12.576 0.000 0.000 0.000 3/27648 410.0 13.323 12.360 12.244 0.000 0.000 0.000 3/27648 420.0 12.996 12.044 11.930 0.000 0.000 0.000 3/27648 430.0 12.685 11.745 11.632 0.000 0.000 0.000 3/27648 440.0 12.389 11.460 11.350 0.000 0.000 0.000 3/27648 450.0 12.107 11.190 11.081 0.000 0.000 0.000 3/27648 460.0 11.838 10.932 10.825 0.000 0.000 0.000 3/27648 470.0 11.581 10.686 10.582 0.000 0.000 0.000 3/27648 480.0 11.335 10.452 10.349 0.000 0.000 0.000 3/27648 490.0 11.100 10.228 10.127 0.000 0.000 0.000 3/27648 500.0 10.874 10.014 9.914 0.000 0.000 0.000 3/27648 510.0 10.658 9.809 9.711 0.000 0.000 0.000 3/27648 520.0 10.451 9.612 9.516 0.000 0.000 0.000 3/27648 530.0 10.251 9.424 9.329 0.000 0.000 0.000 3/27648 540.0 10.060 9.243 9.149 0.000 0.000 0.000 3/27648 550.0 9.875 9.069 8.976 0.000 0.000 0.000 3/27648 560.0 9.697 8.901 8.810 0.000 0.000 0.000 3/27648 570.0 9.526 8.740 8.650 0.000 0.000 0.000 3/27648 580.0 9.361 8.585 8.496 0.000 0.000 0.000 3/27648 590.0 9.201 8.435 8.348 0.000 0.000 0.000 3/27648 600.0 9.047 8.290 8.205 0.000 0.000 0.000 3/27648 610.0 8.898 8.151 8.066 0.000 0.000 0.000 3/27648 620.0 8.754 8.016 7.933 0.000 0.000 0.000 3/27648 630.0 8.615 7.886 7.804 0.000 0.000 0.000 3/27648 640.0 8.480 7.760 7.679 0.000 0.000 0.000 3/27648 650.0 8.349 7.638 7.558 0.000 0.000 0.000 3/27648 660.0 8.222 7.520 7.441 0.000 0.000 0.000 3/27648 670.0 8.100 7.405 7.327 0.000 0.000 0.000 3/27648 680.0 7.980 7.295 7.218 0.000 0.000 0.000 3/27648 690.0 7.865 7.187 7.111 0.000 0.000 0.000 3/27648 700.0 7.752 7.083 7.008 0.000 0.000 0.000 3/27648 710.0 7.643 6.981 6.907 0.000 0.000 0.000 3/27648 720.0 7.537 6.883 6.810 0.000 0.000 0.000 3/27648 730.0 7.434 6.787 6.715 0.000 0.000 0.000 3/27648 740.0 7.334 6.694 6.623 0.000 0.000 0.000 3/27648 750.0 7.236 6.604 6.533 0.000 0.000 0.000 3/27648 760.0 7.142 6.516 6.446 0.000 0.000 0.000 3/27648 770.0 7.049 6.430 6.361 0.000 0.000 0.000 3/27648 780.0 6.959 6.347 6.279 0.000 0.000 0.000 3/27648 790.0 6.871 6.266 6.198 0.000 0.000 0.000 3/27648 800.0 6.786 6.187 6.120 0.000 0.000 0.000 3/27648 810.0 6.702 6.109 6.044 0.000 0.000 0.000 3/27648 820.0 6.621 6.034 5.969 0.000 0.000 0.000 3/27648 830.0 6.541 5.961 5.897 0.000 0.000 0.000 3/27648 840.0 6.464 5.889 5.826 0.000 0.000 0.000 3/27648 850.0 6.388 5.820 5.757 0.000 0.000 0.000 3/27648 860.0 6.314 5.751 5.689 0.000 0.000 0.000 3/27648 870.0 6.242 5.685 5.623 0.000 0.000 0.000 3/27648 880.0 6.171 5.620 5.559 0.000 0.000 0.000 3/27648 890.0 6.102 5.556 5.496 0.000 0.000 0.000 3/27648 900.0 6.035 5.494 5.435 0.000 0.000 0.000 3/27648 910.0 5.969 5.434 5.374 0.000 0.000 0.000 3/27648 920.0 5.904 5.374 5.316 0.000 0.000 0.000 3/27648 930.0 5.841 5.316 5.258 0.000 0.000 0.000 3/27648 940.0 5.779 5.259 5.202 0.000 0.000 0.000 3/27648 950.0 5.719 5.204 5.147 0.000 0.000 0.000 3/27648 960.0 5.660 5.149 5.093 0.000 0.000 0.000 3/27648 970.0 5.602 5.096 5.040 0.000 0.000 0.000 3/27648 980.0 5.545 5.044 4.989 0.000 0.000 0.000 3/27648 990.0 5.489 4.993 4.938 0.000 0.000 0.000 3/27648 1000.0 5.435 4.943 4.889 0.000 0.000 0.000 3/27648 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:48:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|