----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:46:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.187520201799197 0.000000000000000 0.000000000000000 b -2.593760100899599 4.492524277403082 0.000000000000000 c 0.000000000000000 0.000000000000000 14.162885149999999 Atomic positions (fractional): *1 O 0.00000000000000 0.71274538860746 0.25000000000000 15.999 2 O 0.28725461139254 0.28725461139254 0.25000000000000 15.999 3 O 0.71274538860746 0.00000000000000 0.25000000000000 15.999 4 O 0.00000000000000 0.28725461139254 0.75000000000000 15.999 5 O 0.71274538860746 0.71274538860746 0.75000000000000 15.999 6 O 0.28725461139254 0.00000000000000 0.75000000000000 15.999 *7 O 0.02158879541215 0.34433168030288 0.41651425781862 15.999 8 O 0.32274288489073 0.97841120458785 0.41651425781862 15.999 9 O 0.65566831969712 0.67725711510927 0.41651425781862 15.999 10 O 0.67725711510927 0.65566831969712 0.08348574218138 15.999 11 O 0.34433168030288 0.02158879541215 0.08348574218138 15.999 12 O 0.97841120458785 0.32274288489073 0.08348574218138 15.999 13 O 0.02158879541215 0.67725711510927 0.91651425781862 15.999 14 O 0.65566831969712 0.97841120458785 0.91651425781862 15.999 15 O 0.32274288489073 0.34433168030288 0.91651425781862 15.999 16 O 0.34433168030288 0.32274288489073 0.58348574218138 15.999 17 O 0.67725711510927 0.02158879541215 0.58348574218138 15.999 18 O 0.97841120458785 0.65566831969712 0.58348574218138 15.999 *19 Zn 0.66666666666667 0.33333333333333 0.98487313727093 65.380 20 Zn 0.33333333333333 0.66666666666667 0.51512686272907 65.380 21 Zn 0.33333333333333 0.66666666666667 0.01512686272907 65.380 22 Zn 0.66666666666667 0.33333333333333 0.48487313727093 65.380 *23 Zn 0.66666666666667 0.33333333333333 0.20167662875284 65.380 24 Zn 0.33333333333333 0.66666666666667 0.29832337124716 65.380 25 Zn 0.33333333333333 0.66666666666667 0.79832337124716 65.380 26 Zn 0.66666666666667 0.33333333333333 0.70167662875284 65.380 *27 Nb 0.00000000000000 0.00000000000000 0.63942529102615 92.906 28 Nb 0.00000000000000 0.00000000000000 0.86057470897385 92.906 29 Nb 0.00000000000000 0.00000000000000 0.36057470897385 92.906 30 Nb 0.00000000000000 0.00000000000000 0.13942529102615 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.187520201799197 0.000000000000000 0.000000000000000 b -2.593760100899599 4.492524277403082 0.000000000000000 c 0.000000000000000 0.000000000000000 14.162885149999999 Atomic positions (fractional): *1 O 0.00000000000000 0.71274538860746 0.25000000000000 15.999 > 1 2 O 0.28725461139254 0.28725461139254 0.25000000000000 15.999 > 2 3 O 0.71274538860746 0.00000000000000 0.25000000000000 15.999 > 3 4 O 0.00000000000000 0.28725461139254 0.75000000000000 15.999 > 4 5 O 0.71274538860746 0.71274538860746 0.75000000000000 15.999 > 5 6 O 0.28725461139254 0.00000000000000 0.75000000000000 15.999 > 6 *7 O 0.02158879541215 0.34433168030288 0.41651425781862 15.999 > 7 8 O 0.32274288489073 0.97841120458785 0.41651425781862 15.999 > 8 9 O 0.65566831969712 0.67725711510927 0.41651425781862 15.999 > 9 10 O 0.67725711510927 0.65566831969712 0.08348574218138 15.999 > 10 11 O 0.34433168030288 0.02158879541215 0.08348574218138 15.999 > 11 12 O 0.97841120458785 0.32274288489073 0.08348574218138 15.999 > 12 13 O 0.02158879541215 0.67725711510927 0.91651425781862 15.999 > 13 14 O 0.65566831969712 0.97841120458785 0.91651425781862 15.999 > 14 15 O 0.32274288489073 0.34433168030288 0.91651425781862 15.999 > 15 16 O 0.34433168030288 0.32274288489073 0.58348574218138 15.999 > 16 17 O 0.67725711510927 0.02158879541215 0.58348574218138 15.999 > 17 18 O 0.97841120458785 0.65566831969712 0.58348574218138 15.999 > 18 *19 Zn 0.66666666666667 0.33333333333333 0.98487313727093 65.380 > 19 20 Zn 0.33333333333333 0.66666666666667 0.51512686272907 65.380 > 20 21 Zn 0.33333333333333 0.66666666666667 0.01512686272907 65.380 > 21 22 Zn 0.66666666666667 0.33333333333333 0.48487313727093 65.380 > 22 *23 Zn 0.66666666666667 0.33333333333333 0.20167662875284 65.380 > 23 24 Zn 0.33333333333333 0.66666666666667 0.29832337124716 65.380 > 24 25 Zn 0.33333333333333 0.66666666666667 0.79832337124716 65.380 > 25 26 Zn 0.66666666666667 0.33333333333333 0.70167662875284 65.380 > 26 *27 Nb 0.00000000000000 0.00000000000000 0.63942529102615 92.906 > 27 28 Nb 0.00000000000000 0.00000000000000 0.86057470897385 92.906 > 28 29 Nb 0.00000000000000 0.00000000000000 0.36057470897385 92.906 > 29 30 Nb 0.00000000000000 0.00000000000000 0.13942529102615 92.906 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.375040403598394 0.000000000000000 0.000000000000000 b -5.187520201799198 8.985048554806164 0.000000000000000 c 0.000000000000000 0.000000000000000 14.162885149999999 Atomic positions (fractional): *1 O 0.00000000000000 0.35637269430373 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.35637269430373 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.85637269430373 0.25000000000000 15.999 > 1 4 O 0.50000000000000 0.85637269430373 0.25000000000000 15.999 > 1 5 O 0.14362730569627 0.14362730569627 0.25000000000000 15.999 > 2 6 O 0.64362730569627 0.14362730569627 0.25000000000000 15.999 > 2 7 O 0.14362730569627 0.64362730569627 0.25000000000000 15.999 > 2 8 O 0.64362730569627 0.64362730569627 0.25000000000000 15.999 > 2 9 O 0.35637269430373 0.00000000000000 0.25000000000000 15.999 > 3 10 O 0.85637269430373 0.00000000000000 0.25000000000000 15.999 > 3 11 O 0.35637269430373 0.50000000000000 0.25000000000000 15.999 > 3 12 O 0.85637269430373 0.50000000000000 0.25000000000000 15.999 > 3 13 O 0.00000000000000 0.14362730569627 0.75000000000000 15.999 > 4 14 O 0.50000000000000 0.14362730569627 0.75000000000000 15.999 > 4 15 O 0.00000000000000 0.64362730569627 0.75000000000000 15.999 > 4 16 O 0.50000000000000 0.64362730569627 0.75000000000000 15.999 > 4 17 O 0.35637269430373 0.35637269430373 0.75000000000000 15.999 > 5 18 O 0.85637269430373 0.35637269430373 0.75000000000000 15.999 > 5 19 O 0.35637269430373 0.85637269430373 0.75000000000000 15.999 > 5 20 O 0.85637269430373 0.85637269430373 0.75000000000000 15.999 > 5 21 O 0.14362730569627 0.00000000000000 0.75000000000000 15.999 > 6 22 O 0.64362730569627 0.00000000000000 0.75000000000000 15.999 > 6 23 O 0.14362730569627 0.50000000000000 0.75000000000000 15.999 > 6 24 O 0.64362730569627 0.50000000000000 0.75000000000000 15.999 > 6 *25 O 0.01079439770608 0.17216584015144 0.41651425781862 15.999 > 7 26 O 0.51079439770608 0.17216584015144 0.41651425781862 15.999 > 7 27 O 0.01079439770608 0.67216584015144 0.41651425781862 15.999 > 7 28 O 0.51079439770608 0.67216584015144 0.41651425781862 15.999 > 7 29 O 0.16137144244537 0.48920560229392 0.41651425781862 15.999 > 8 30 O 0.66137144244537 0.48920560229392 0.41651425781862 15.999 > 8 31 O 0.16137144244537 0.98920560229392 0.41651425781862 15.999 > 8 32 O 0.66137144244537 0.98920560229392 0.41651425781862 15.999 > 8 33 O 0.32783415984856 0.33862855755463 0.41651425781862 15.999 > 9 34 O 0.82783415984856 0.33862855755463 0.41651425781862 15.999 > 9 35 O 0.32783415984856 0.83862855755463 0.41651425781862 15.999 > 9 36 O 0.82783415984856 0.83862855755463 0.41651425781862 15.999 > 9 37 O 0.33862855755463 0.32783415984856 0.08348574218138 15.999 > 10 38 O 0.83862855755463 0.32783415984856 0.08348574218138 15.999 > 10 39 O 0.33862855755463 0.82783415984856 0.08348574218138 15.999 > 10 40 O 0.83862855755463 0.82783415984856 0.08348574218138 15.999 > 10 41 O 0.17216584015144 0.01079439770608 0.08348574218138 15.999 > 11 42 O 0.67216584015144 0.01079439770608 0.08348574218138 15.999 > 11 43 O 0.17216584015144 0.51079439770608 0.08348574218138 15.999 > 11 44 O 0.67216584015144 0.51079439770608 0.08348574218138 15.999 > 11 45 O 0.48920560229392 0.16137144244537 0.08348574218138 15.999 > 12 46 O 0.98920560229392 0.16137144244537 0.08348574218138 15.999 > 12 47 O 0.48920560229392 0.66137144244537 0.08348574218138 15.999 > 12 48 O 0.98920560229392 0.66137144244537 0.08348574218138 15.999 > 12 49 O 0.01079439770608 0.33862855755463 0.91651425781862 15.999 > 13 50 O 0.51079439770608 0.33862855755463 0.91651425781862 15.999 > 13 51 O 0.01079439770608 0.83862855755463 0.91651425781862 15.999 > 13 52 O 0.51079439770608 0.83862855755463 0.91651425781862 15.999 > 13 53 O 0.32783415984856 0.48920560229392 0.91651425781862 15.999 > 14 54 O 0.82783415984856 0.48920560229392 0.91651425781862 15.999 > 14 55 O 0.32783415984856 0.98920560229392 0.91651425781862 15.999 > 14 56 O 0.82783415984856 0.98920560229392 0.91651425781862 15.999 > 14 57 O 0.16137144244537 0.17216584015144 0.91651425781862 15.999 > 15 58 O 0.66137144244537 0.17216584015144 0.91651425781862 15.999 > 15 59 O 0.16137144244537 0.67216584015144 0.91651425781862 15.999 > 15 60 O 0.66137144244537 0.67216584015144 0.91651425781862 15.999 > 15 61 O 0.17216584015144 0.16137144244537 0.58348574218138 15.999 > 16 62 O 0.67216584015144 0.16137144244537 0.58348574218138 15.999 > 16 63 O 0.17216584015144 0.66137144244537 0.58348574218138 15.999 > 16 64 O 0.67216584015144 0.66137144244537 0.58348574218138 15.999 > 16 65 O 0.33862855755463 0.01079439770608 0.58348574218138 15.999 > 17 66 O 0.83862855755463 0.01079439770608 0.58348574218138 15.999 > 17 67 O 0.33862855755463 0.51079439770608 0.58348574218138 15.999 > 17 68 O 0.83862855755463 0.51079439770608 0.58348574218138 15.999 > 17 69 O 0.48920560229392 0.32783415984856 0.58348574218138 15.999 > 18 70 O 0.98920560229392 0.32783415984856 0.58348574218138 15.999 > 18 71 O 0.48920560229392 0.82783415984856 0.58348574218138 15.999 > 18 72 O 0.98920560229392 0.82783415984856 0.58348574218138 15.999 > 18 *73 Zn 0.33333333333333 0.16666666666667 0.98487313727093 65.380 > 19 74 Zn 0.83333333333333 0.16666666666667 0.98487313727093 65.380 > 19 75 Zn 0.33333333333333 0.66666666666667 0.98487313727093 65.380 > 19 76 Zn 0.83333333333333 0.66666666666667 0.98487313727093 65.380 > 19 77 Zn 0.16666666666667 0.33333333333333 0.51512686272907 65.380 > 20 78 Zn 0.66666666666667 0.33333333333333 0.51512686272907 65.380 > 20 79 Zn 0.16666666666667 0.83333333333333 0.51512686272907 65.380 > 20 80 Zn 0.66666666666667 0.83333333333333 0.51512686272907 65.380 > 20 81 Zn 0.16666666666667 0.33333333333333 0.01512686272907 65.380 > 21 82 Zn 0.66666666666667 0.33333333333333 0.01512686272907 65.380 > 21 83 Zn 0.16666666666667 0.83333333333333 0.01512686272907 65.380 > 21 84 Zn 0.66666666666667 0.83333333333333 0.01512686272907 65.380 > 21 85 Zn 0.33333333333333 0.16666666666667 0.48487313727093 65.380 > 22 86 Zn 0.83333333333333 0.16666666666667 0.48487313727093 65.380 > 22 87 Zn 0.33333333333333 0.66666666666667 0.48487313727093 65.380 > 22 88 Zn 0.83333333333333 0.66666666666667 0.48487313727093 65.380 > 22 *89 Zn 0.33333333333333 0.16666666666667 0.20167662875284 65.380 > 23 90 Zn 0.83333333333333 0.16666666666667 0.20167662875284 65.380 > 23 91 Zn 0.33333333333333 0.66666666666667 0.20167662875284 65.380 > 23 92 Zn 0.83333333333333 0.66666666666667 0.20167662875284 65.380 > 23 93 Zn 0.16666666666667 0.33333333333333 0.29832337124716 65.380 > 24 94 Zn 0.66666666666667 0.33333333333333 0.29832337124716 65.380 > 24 95 Zn 0.16666666666667 0.83333333333333 0.29832337124716 65.380 > 24 96 Zn 0.66666666666667 0.83333333333333 0.29832337124716 65.380 > 24 97 Zn 0.16666666666667 0.33333333333333 0.79832337124716 65.380 > 25 98 Zn 0.66666666666667 0.33333333333333 0.79832337124716 65.380 > 25 99 Zn 0.16666666666667 0.83333333333333 0.79832337124716 65.380 > 25 100 Zn 0.66666666666667 0.83333333333333 0.79832337124716 65.380 > 25 101 Zn 0.33333333333333 0.16666666666667 0.70167662875284 65.380 > 26 102 Zn 0.83333333333333 0.16666666666667 0.70167662875284 65.380 > 26 103 Zn 0.33333333333333 0.66666666666667 0.70167662875284 65.380 > 26 104 Zn 0.83333333333333 0.66666666666667 0.70167662875284 65.380 > 26 *105 Nb 0.00000000000000 0.00000000000000 0.63942529102615 92.906 > 27 106 Nb 0.50000000000000 0.00000000000000 0.63942529102615 92.906 > 27 107 Nb 0.00000000000000 0.50000000000000 0.63942529102615 92.906 > 27 108 Nb 0.50000000000000 0.50000000000000 0.63942529102615 92.906 > 27 109 Nb 0.00000000000000 0.00000000000000 0.86057470897385 92.906 > 28 110 Nb 0.50000000000000 0.00000000000000 0.86057470897385 92.906 > 28 111 Nb 0.00000000000000 0.50000000000000 0.86057470897385 92.906 > 28 112 Nb 0.50000000000000 0.50000000000000 0.86057470897385 92.906 > 28 113 Nb 0.00000000000000 0.00000000000000 0.36057470897385 92.906 > 29 114 Nb 0.50000000000000 0.00000000000000 0.36057470897385 92.906 > 29 115 Nb 0.00000000000000 0.50000000000000 0.36057470897385 92.906 > 29 116 Nb 0.50000000000000 0.50000000000000 0.36057470897385 92.906 > 29 117 Nb 0.00000000000000 0.00000000000000 0.13942529102615 92.906 > 30 118 Nb 0.50000000000000 0.00000000000000 0.13942529102615 92.906 > 30 119 Nb 0.00000000000000 0.50000000000000 0.13942529102615 92.906 > 30 120 Nb 0.50000000000000 0.50000000000000 0.13942529102615 92.906 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6507081 0.0000000 0.0000000 0.0000000 5.6507081 0.0000000 0.0000000 0.0000000 5.1364630 -------------------------- Born effective charges -------------------------- 1 O -2.0084554 0.6562537 -0.2431433 0.6562537 -2.7662319 -0.1403789 -0.2667391 -0.1540019 -2.5661654 2 O -2.0084554 -0.6562537 0.2431433 -0.6562537 -2.7662319 -0.1403789 0.2667391 -0.1540019 -2.5661654 3 O -3.1451202 0.0000000 0.0000000 0.0000000 -1.6295672 0.2807577 -0.0000000 0.3080037 -2.5661654 4 O -2.0084554 0.6562537 -0.2431433 0.6562537 -2.7662319 -0.1403789 -0.2667391 -0.1540019 -2.5661654 5 O -2.0084554 -0.6562537 0.2431433 -0.6562537 -2.7662319 -0.1403789 0.2667391 -0.1540019 -2.5661654 6 O -3.1451202 0.0000000 0.0000000 0.0000000 -1.6295672 0.2807577 -0.0000000 0.3080037 -2.5661654 7 O -1.8167828 0.8677704 0.5601174 0.8052507 -3.2881893 -0.8172558 0.6473661 -0.8505475 -2.0879575 8 O -3.6447771 0.2501423 -0.9878230 0.1876226 -1.4601950 -0.0764479 -1.0602788 -0.1353617 -2.0879575 9 O -2.1958983 -1.0241331 0.4277056 -1.0866529 -2.9090738 0.8937038 0.4129127 0.9859093 -2.0879575 10 O -1.8167828 -0.8677704 -0.5601174 -0.8052507 -3.2881893 -0.8172558 -0.6473661 -0.8505475 -2.0879575 11 O -3.6447771 -0.2501423 0.9878230 -0.1876226 -1.4601950 -0.0764479 1.0602788 -0.1353617 -2.0879575 12 O -2.1958983 1.0241331 -0.4277056 1.0866529 -2.9090738 0.8937038 -0.4129127 0.9859093 -2.0879575 13 O -2.1958983 1.0241331 -0.4277056 1.0866529 -2.9090738 0.8937038 -0.4129127 0.9859093 -2.0879575 14 O -3.6447771 -0.2501423 0.9878230 -0.1876226 -1.4601950 -0.0764479 1.0602788 -0.1353617 -2.0879575 15 O -1.8167828 -0.8677704 -0.5601174 -0.8052507 -3.2881893 -0.8172558 -0.6473661 -0.8505475 -2.0879575 16 O -2.1958983 -1.0241331 0.4277056 -1.0866529 -2.9090738 0.8937038 0.4129127 0.9859093 -2.0879575 17 O -3.6447771 0.2501423 -0.9878230 0.1876226 -1.4601950 -0.0764479 -1.0602788 -0.1353617 -2.0879575 18 O -1.8167828 0.8677704 0.5601174 0.8052507 -3.2881893 -0.8172558 0.6473661 -0.8505475 -2.0879575 19 Zn 2.6617694 -0.0489828 0.0000000 0.0489828 2.6617694 0.0000000 -0.0000000 -0.0000000 2.9029802 20 Zn 2.6617694 0.0489828 0.0000000 -0.0489828 2.6617694 0.0000000 -0.0000000 -0.0000000 2.9029802 21 Zn 2.6617694 -0.0489828 0.0000000 0.0489828 2.6617694 0.0000000 -0.0000000 -0.0000000 2.9029802 22 Zn 2.6617694 0.0489828 0.0000000 -0.0489828 2.6617694 0.0000000 -0.0000000 -0.0000000 2.9029802 23 Zn 2.6569473 -0.0801860 0.0000000 0.0801860 2.6569473 0.0000000 -0.0000000 -0.0000000 1.8803732 24 Zn 2.6569473 0.0801860 0.0000000 -0.0801860 2.6569473 0.0000000 -0.0000000 -0.0000000 1.8803732 25 Zn 2.6569473 -0.0801860 0.0000000 0.0801860 2.6569473 0.0000000 -0.0000000 -0.0000000 1.8803732 26 Zn 2.6569473 0.0801860 0.0000000 -0.0801860 2.6569473 0.0000000 -0.0000000 -0.0000000 1.8803732 27 Nb 5.9197570 0.1180882 0.0000000 -0.1180882 5.9197570 0.0000000 -0.0000000 -0.0000000 5.3297673 28 Nb 5.9197570 -0.1180882 0.0000000 0.1180882 5.9197570 0.0000000 -0.0000000 -0.0000000 5.3297673 29 Nb 5.9197570 0.1180882 0.0000000 -0.1180882 5.9197570 0.0000000 -0.0000000 -0.0000000 5.3297673 30 Nb 5.9197570 -0.1180882 0.0000000 0.1180882 5.9197570 0.0000000 -0.0000000 -0.0000000 5.3297673 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1426 Number of blocks in projector: 706 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 150 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 246 eigenvectors found. (2) Block: 576 / 576 (2) 74 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 190 Use standard eigh solver. Tree of FC basis block matrices: - (1426, 1403), data: False |-- (190, 185), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 6), data: (576, 12) @ (12, 6) |-- (76, 74), data: True |-- (250, 246), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 10), data: (660, 22) @ (22, 10) |-- (160, 150), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 320 - Time: 2.034 Solver_block: 200 / 320 - Time: 1.989 Solver_block: 300 / 320 - Time: 1.981 Solver_block: 320 / 320 - Time: 0.463 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.503 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1426 Number of blocks in projector: 706 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 150 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 246 eigenvectors found. (2) Block: 576 / 576 (2) 74 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 190 Use standard eigh solver. Tree of FC basis block matrices: - (1426, 1403), data: False |-- (190, 185), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 6), data: (576, 12) @ (12, 6) |-- (76, 74), data: True |-- (250, 246), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 10), data: (660, 22) @ (22, 10) |-- (160, 150), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 03:46:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:46:26]------------------------- 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: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.187520201799197 0.000000000000000 0.000000000000000 b -2.593760100899599 4.492524277403082 0.000000000000000 c 0.000000000000000 0.000000000000000 14.162885149999999 Atomic positions (fractional): 1 O 0.00000000000000 0.71274538860746 0.25000000000000 15.999 2 O 0.28725461139254 0.28725461139254 0.25000000000000 15.999 3 O 0.71274538860746 0.00000000000000 0.25000000000000 15.999 4 O 0.00000000000000 0.28725461139254 0.75000000000000 15.999 5 O 0.71274538860746 0.71274538860746 0.75000000000000 15.999 6 O 0.28725461139254 0.00000000000000 0.75000000000000 15.999 7 O 0.02158879541215 0.34433168030288 0.41651425781862 15.999 8 O 0.32274288489073 0.97841120458785 0.41651425781862 15.999 9 O 0.65566831969712 0.67725711510927 0.41651425781862 15.999 10 O 0.67725711510927 0.65566831969712 0.08348574218138 15.999 11 O 0.34433168030288 0.02158879541215 0.08348574218138 15.999 12 O 0.97841120458785 0.32274288489073 0.08348574218138 15.999 13 O 0.02158879541215 0.67725711510927 0.91651425781862 15.999 14 O 0.65566831969712 0.97841120458785 0.91651425781862 15.999 15 O 0.32274288489073 0.34433168030288 0.91651425781862 15.999 16 O 0.34433168030288 0.32274288489073 0.58348574218138 15.999 17 O 0.67725711510927 0.02158879541215 0.58348574218138 15.999 18 O 0.97841120458785 0.65566831969712 0.58348574218138 15.999 19 Zn 0.66666666666667 0.33333333333333 0.98487313727093 65.380 20 Zn 0.33333333333333 0.66666666666667 0.51512686272907 65.380 21 Zn 0.33333333333333 0.66666666666667 0.01512686272907 65.380 22 Zn 0.66666666666667 0.33333333333333 0.48487313727093 65.380 23 Zn 0.66666666666667 0.33333333333333 0.20167662875284 65.380 24 Zn 0.33333333333333 0.66666666666667 0.29832337124716 65.380 25 Zn 0.33333333333333 0.66666666666667 0.79832337124716 65.380 26 Zn 0.66666666666667 0.33333333333333 0.70167662875284 65.380 27 Nb 0.00000000000000 0.00000000000000 0.63942529102615 92.906 28 Nb 0.00000000000000 0.00000000000000 0.86057470897385 92.906 29 Nb 0.00000000000000 0.00000000000000 0.36057470897385 92.906 30 Nb 0.00000000000000 0.00000000000000 0.13942529102615 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.375040403598394 0.000000000000000 0.000000000000000 b -5.187520201799198 8.985048554806164 0.000000000000000 c 0.000000000000000 0.000000000000000 14.162885149999999 Atomic positions (fractional): 1 O 0.00000000000000 0.35637269430373 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.35637269430373 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.85637269430373 0.25000000000000 15.999 > 1 4 O 0.50000000000000 0.85637269430373 0.25000000000000 15.999 > 1 5 O 0.14362730569627 0.14362730569627 0.25000000000000 15.999 > 5 6 O 0.64362730569627 0.14362730569627 0.25000000000000 15.999 > 5 7 O 0.14362730569627 0.64362730569627 0.25000000000000 15.999 > 5 8 O 0.64362730569627 0.64362730569627 0.25000000000000 15.999 > 5 9 O 0.35637269430373 0.00000000000000 0.25000000000000 15.999 > 9 10 O 0.85637269430373 0.00000000000000 0.25000000000000 15.999 > 9 11 O 0.35637269430373 0.50000000000000 0.25000000000000 15.999 > 9 12 O 0.85637269430373 0.50000000000000 0.25000000000000 15.999 > 9 13 O 0.00000000000000 0.14362730569627 0.75000000000000 15.999 > 13 14 O 0.50000000000000 0.14362730569627 0.75000000000000 15.999 > 13 15 O 0.00000000000000 0.64362730569627 0.75000000000000 15.999 > 13 16 O 0.50000000000000 0.64362730569627 0.75000000000000 15.999 > 13 17 O 0.35637269430373 0.35637269430373 0.75000000000000 15.999 > 17 18 O 0.85637269430373 0.35637269430373 0.75000000000000 15.999 > 17 19 O 0.35637269430373 0.85637269430373 0.75000000000000 15.999 > 17 20 O 0.85637269430373 0.85637269430373 0.75000000000000 15.999 > 17 21 O 0.14362730569627 0.00000000000000 0.75000000000000 15.999 > 21 22 O 0.64362730569627 0.00000000000000 0.75000000000000 15.999 > 21 23 O 0.14362730569627 0.50000000000000 0.75000000000000 15.999 > 21 24 O 0.64362730569627 0.50000000000000 0.75000000000000 15.999 > 21 25 O 0.01079439770608 0.17216584015144 0.41651425781862 15.999 > 25 26 O 0.51079439770608 0.17216584015144 0.41651425781862 15.999 > 25 27 O 0.01079439770608 0.67216584015144 0.41651425781862 15.999 > 25 28 O 0.51079439770608 0.67216584015144 0.41651425781862 15.999 > 25 29 O 0.16137144244537 0.48920560229392 0.41651425781862 15.999 > 29 30 O 0.66137144244537 0.48920560229392 0.41651425781862 15.999 > 29 31 O 0.16137144244537 0.98920560229392 0.41651425781862 15.999 > 29 32 O 0.66137144244537 0.98920560229392 0.41651425781862 15.999 > 29 33 O 0.32783415984856 0.33862855755463 0.41651425781862 15.999 > 33 34 O 0.82783415984856 0.33862855755463 0.41651425781862 15.999 > 33 35 O 0.32783415984856 0.83862855755463 0.41651425781862 15.999 > 33 36 O 0.82783415984856 0.83862855755463 0.41651425781862 15.999 > 33 37 O 0.33862855755463 0.32783415984856 0.08348574218138 15.999 > 37 38 O 0.83862855755463 0.32783415984856 0.08348574218138 15.999 > 37 39 O 0.33862855755463 0.82783415984856 0.08348574218138 15.999 > 37 40 O 0.83862855755463 0.82783415984856 0.08348574218138 15.999 > 37 41 O 0.17216584015144 0.01079439770608 0.08348574218138 15.999 > 41 42 O 0.67216584015144 0.01079439770608 0.08348574218138 15.999 > 41 43 O 0.17216584015144 0.51079439770608 0.08348574218138 15.999 > 41 44 O 0.67216584015144 0.51079439770608 0.08348574218138 15.999 > 41 45 O 0.48920560229392 0.16137144244537 0.08348574218138 15.999 > 45 46 O 0.98920560229392 0.16137144244537 0.08348574218138 15.999 > 45 47 O 0.48920560229392 0.66137144244537 0.08348574218138 15.999 > 45 48 O 0.98920560229392 0.66137144244537 0.08348574218138 15.999 > 45 49 O 0.01079439770608 0.33862855755463 0.91651425781862 15.999 > 49 50 O 0.51079439770608 0.33862855755463 0.91651425781862 15.999 > 49 51 O 0.01079439770608 0.83862855755463 0.91651425781862 15.999 > 49 52 O 0.51079439770608 0.83862855755463 0.91651425781862 15.999 > 49 53 O 0.32783415984856 0.48920560229392 0.91651425781862 15.999 > 53 54 O 0.82783415984856 0.48920560229392 0.91651425781862 15.999 > 53 55 O 0.32783415984856 0.98920560229392 0.91651425781862 15.999 > 53 56 O 0.82783415984856 0.98920560229392 0.91651425781862 15.999 > 53 57 O 0.16137144244537 0.17216584015144 0.91651425781862 15.999 > 57 58 O 0.66137144244537 0.17216584015144 0.91651425781862 15.999 > 57 59 O 0.16137144244537 0.67216584015144 0.91651425781862 15.999 > 57 60 O 0.66137144244537 0.67216584015144 0.91651425781862 15.999 > 57 61 O 0.17216584015144 0.16137144244537 0.58348574218138 15.999 > 61 62 O 0.67216584015144 0.16137144244537 0.58348574218138 15.999 > 61 63 O 0.17216584015144 0.66137144244537 0.58348574218138 15.999 > 61 64 O 0.67216584015144 0.66137144244537 0.58348574218138 15.999 > 61 65 O 0.33862855755463 0.01079439770608 0.58348574218138 15.999 > 65 66 O 0.83862855755463 0.01079439770608 0.58348574218138 15.999 > 65 67 O 0.33862855755463 0.51079439770608 0.58348574218138 15.999 > 65 68 O 0.83862855755463 0.51079439770608 0.58348574218138 15.999 > 65 69 O 0.48920560229392 0.32783415984856 0.58348574218138 15.999 > 69 70 O 0.98920560229392 0.32783415984856 0.58348574218138 15.999 > 69 71 O 0.48920560229392 0.82783415984856 0.58348574218138 15.999 > 69 72 O 0.98920560229392 0.82783415984856 0.58348574218138 15.999 > 69 73 Zn 0.33333333333333 0.16666666666667 0.98487313727093 65.380 > 73 74 Zn 0.83333333333333 0.16666666666667 0.98487313727093 65.380 > 73 75 Zn 0.33333333333333 0.66666666666667 0.98487313727093 65.380 > 73 76 Zn 0.83333333333333 0.66666666666667 0.98487313727093 65.380 > 73 77 Zn 0.16666666666667 0.33333333333333 0.51512686272907 65.380 > 77 78 Zn 0.66666666666667 0.33333333333333 0.51512686272907 65.380 > 77 79 Zn 0.16666666666667 0.83333333333333 0.51512686272907 65.380 > 77 80 Zn 0.66666666666667 0.83333333333333 0.51512686272907 65.380 > 77 81 Zn 0.16666666666667 0.33333333333333 0.01512686272907 65.380 > 81 82 Zn 0.66666666666667 0.33333333333333 0.01512686272907 65.380 > 81 83 Zn 0.16666666666667 0.83333333333333 0.01512686272907 65.380 > 81 84 Zn 0.66666666666667 0.83333333333333 0.01512686272907 65.380 > 81 85 Zn 0.33333333333333 0.16666666666667 0.48487313727093 65.380 > 85 86 Zn 0.83333333333333 0.16666666666667 0.48487313727093 65.380 > 85 87 Zn 0.33333333333333 0.66666666666667 0.48487313727093 65.380 > 85 88 Zn 0.83333333333333 0.66666666666667 0.48487313727093 65.380 > 85 89 Zn 0.33333333333333 0.16666666666667 0.20167662875284 65.380 > 89 90 Zn 0.83333333333333 0.16666666666667 0.20167662875284 65.380 > 89 91 Zn 0.33333333333333 0.66666666666667 0.20167662875284 65.380 > 89 92 Zn 0.83333333333333 0.66666666666667 0.20167662875284 65.380 > 89 93 Zn 0.16666666666667 0.33333333333333 0.29832337124716 65.380 > 93 94 Zn 0.66666666666667 0.33333333333333 0.29832337124716 65.380 > 93 95 Zn 0.16666666666667 0.83333333333333 0.29832337124716 65.380 > 93 96 Zn 0.66666666666667 0.83333333333333 0.29832337124716 65.380 > 93 97 Zn 0.16666666666667 0.33333333333333 0.79832337124716 65.380 > 97 98 Zn 0.66666666666667 0.33333333333333 0.79832337124716 65.380 > 97 99 Zn 0.16666666666667 0.83333333333333 0.79832337124716 65.380 > 97 100 Zn 0.66666666666667 0.83333333333333 0.79832337124716 65.380 > 97 101 Zn 0.33333333333333 0.16666666666667 0.70167662875284 65.380 > 101 102 Zn 0.83333333333333 0.16666666666667 0.70167662875284 65.380 > 101 103 Zn 0.33333333333333 0.66666666666667 0.70167662875284 65.380 > 101 104 Zn 0.83333333333333 0.66666666666667 0.70167662875284 65.380 > 101 105 Nb 0.00000000000000 0.00000000000000 0.63942529102615 92.906 > 105 106 Nb 0.50000000000000 0.00000000000000 0.63942529102615 92.906 > 105 107 Nb 0.00000000000000 0.50000000000000 0.63942529102615 92.906 > 105 108 Nb 0.50000000000000 0.50000000000000 0.63942529102615 92.906 > 105 109 Nb 0.00000000000000 0.00000000000000 0.86057470897385 92.906 > 109 110 Nb 0.50000000000000 0.00000000000000 0.86057470897385 92.906 > 109 111 Nb 0.00000000000000 0.50000000000000 0.86057470897385 92.906 > 109 112 Nb 0.50000000000000 0.50000000000000 0.86057470897385 92.906 > 109 113 Nb 0.00000000000000 0.00000000000000 0.36057470897385 92.906 > 113 114 Nb 0.50000000000000 0.00000000000000 0.36057470897385 92.906 > 113 115 Nb 0.00000000000000 0.50000000000000 0.36057470897385 92.906 > 113 116 Nb 0.50000000000000 0.50000000000000 0.36057470897385 92.906 > 113 117 Nb 0.00000000000000 0.00000000000000 0.13942529102615 92.906 > 117 118 Nb 0.50000000000000 0.00000000000000 0.13942529102615 92.906 > 117 119 Nb 0.00000000000000 0.50000000000000 0.13942529102615 92.906 > 117 120 Nb 0.50000000000000 0.50000000000000 0.13942529102615 92.906 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6507081 0.0000000 0.0000000 0.0000000 5.6507081 0.0000000 0.0000000 0.0000000 5.1364630 -------------------------- Born effective charges -------------------------- 1 O -2.0084554 0.6562537 -0.2431433 0.6562537 -2.7662319 -0.1403789 -0.2667391 -0.1540019 -2.5661654 2 O -2.0084554 -0.6562537 0.2431433 -0.6562537 -2.7662319 -0.1403789 0.2667391 -0.1540019 -2.5661654 3 O -3.1451202 0.0000000 0.0000000 0.0000000 -1.6295672 0.2807577 -0.0000000 0.3080037 -2.5661654 4 O -2.0084554 0.6562537 -0.2431433 0.6562537 -2.7662319 -0.1403789 -0.2667391 -0.1540019 -2.5661654 5 O -2.0084554 -0.6562537 0.2431433 -0.6562537 -2.7662319 -0.1403789 0.2667391 -0.1540019 -2.5661654 6 O -3.1451202 0.0000000 0.0000000 0.0000000 -1.6295672 0.2807577 -0.0000000 0.3080037 -2.5661654 7 O -1.8167828 0.8677704 0.5601174 0.8052507 -3.2881893 -0.8172558 0.6473661 -0.8505475 -2.0879575 8 O -3.6447771 0.2501423 -0.9878230 0.1876226 -1.4601950 -0.0764479 -1.0602788 -0.1353617 -2.0879575 9 O -2.1958983 -1.0241331 0.4277056 -1.0866529 -2.9090738 0.8937038 0.4129127 0.9859093 -2.0879575 10 O -1.8167828 -0.8677704 -0.5601174 -0.8052507 -3.2881893 -0.8172558 -0.6473661 -0.8505475 -2.0879575 11 O -3.6447771 -0.2501423 0.9878230 -0.1876226 -1.4601950 -0.0764479 1.0602788 -0.1353617 -2.0879575 12 O -2.1958983 1.0241331 -0.4277056 1.0866529 -2.9090738 0.8937038 -0.4129127 0.9859093 -2.0879575 13 O -2.1958983 1.0241331 -0.4277056 1.0866529 -2.9090738 0.8937038 -0.4129127 0.9859093 -2.0879575 14 O -3.6447771 -0.2501423 0.9878230 -0.1876226 -1.4601950 -0.0764479 1.0602788 -0.1353617 -2.0879575 15 O -1.8167828 -0.8677704 -0.5601174 -0.8052507 -3.2881893 -0.8172558 -0.6473661 -0.8505475 -2.0879575 16 O -2.1958983 -1.0241331 0.4277056 -1.0866529 -2.9090738 0.8937038 0.4129127 0.9859093 -2.0879575 17 O -3.6447771 0.2501423 -0.9878230 0.1876226 -1.4601950 -0.0764479 -1.0602788 -0.1353617 -2.0879575 18 O -1.8167828 0.8677704 0.5601174 0.8052507 -3.2881893 -0.8172558 0.6473661 -0.8505475 -2.0879575 19 Zn 2.6617694 -0.0489828 0.0000000 0.0489828 2.6617694 0.0000000 -0.0000000 -0.0000000 2.9029802 20 Zn 2.6617694 0.0489828 0.0000000 -0.0489828 2.6617694 0.0000000 -0.0000000 -0.0000000 2.9029802 21 Zn 2.6617694 -0.0489828 0.0000000 0.0489828 2.6617694 0.0000000 -0.0000000 -0.0000000 2.9029802 22 Zn 2.6617694 0.0489828 0.0000000 -0.0489828 2.6617694 0.0000000 -0.0000000 -0.0000000 2.9029802 23 Zn 2.6569473 -0.0801860 0.0000000 0.0801860 2.6569473 0.0000000 -0.0000000 -0.0000000 1.8803732 24 Zn 2.6569473 0.0801860 0.0000000 -0.0801860 2.6569473 0.0000000 -0.0000000 -0.0000000 1.8803732 25 Zn 2.6569473 -0.0801860 0.0000000 0.0801860 2.6569473 0.0000000 -0.0000000 -0.0000000 1.8803732 26 Zn 2.6569473 0.0801860 0.0000000 -0.0801860 2.6569473 0.0000000 -0.0000000 -0.0000000 1.8803732 27 Nb 5.9197570 0.1180882 0.0000000 -0.1180882 5.9197570 0.0000000 -0.0000000 -0.0000000 5.3297673 28 Nb 5.9197570 -0.1180882 0.0000000 0.1180882 5.9197570 0.0000000 -0.0000000 -0.0000000 5.3297673 29 Nb 5.9197570 0.1180882 0.0000000 -0.1180882 5.9197570 0.0000000 -0.0000000 -0.0000000 5.3297673 30 Nb 5.9197570 -0.1180882 0.0000000 0.1180882 5.9197570 0.0000000 -0.0000000 -0.0000000 5.3297673 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000009 (yx) 0.00000009 (yx) 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 03:46:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:46:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.187520201799197 0.000000000000000 0.000000000000000 b -2.593760100899599 4.492524277403082 0.000000000000000 c 0.000000000000000 0.000000000000000 14.162885149999999 Atomic positions (fractional): 1 O 0.00000000000000 0.71274538860746 0.25000000000000 15.999 2 O 0.28725461139254 0.28725461139254 0.25000000000000 15.999 3 O 0.71274538860746 0.00000000000000 0.25000000000000 15.999 4 O 0.00000000000000 0.28725461139254 0.75000000000000 15.999 5 O 0.71274538860746 0.71274538860746 0.75000000000000 15.999 6 O 0.28725461139254 0.00000000000000 0.75000000000000 15.999 7 O 0.02158879541215 0.34433168030288 0.41651425781862 15.999 8 O 0.32274288489073 0.97841120458785 0.41651425781862 15.999 9 O 0.65566831969712 0.67725711510927 0.41651425781862 15.999 10 O 0.67725711510927 0.65566831969712 0.08348574218138 15.999 11 O 0.34433168030288 0.02158879541215 0.08348574218138 15.999 12 O 0.97841120458785 0.32274288489073 0.08348574218138 15.999 13 O 0.02158879541215 0.67725711510927 0.91651425781862 15.999 14 O 0.65566831969712 0.97841120458785 0.91651425781862 15.999 15 O 0.32274288489073 0.34433168030288 0.91651425781862 15.999 16 O 0.34433168030288 0.32274288489073 0.58348574218138 15.999 17 O 0.67725711510927 0.02158879541215 0.58348574218138 15.999 18 O 0.97841120458785 0.65566831969712 0.58348574218138 15.999 19 Zn 0.66666666666667 0.33333333333333 0.98487313727093 65.380 20 Zn 0.33333333333333 0.66666666666667 0.51512686272907 65.380 21 Zn 0.33333333333333 0.66666666666667 0.01512686272907 65.380 22 Zn 0.66666666666667 0.33333333333333 0.48487313727093 65.380 23 Zn 0.66666666666667 0.33333333333333 0.20167662875284 65.380 24 Zn 0.33333333333333 0.66666666666667 0.29832337124716 65.380 25 Zn 0.33333333333333 0.66666666666667 0.79832337124716 65.380 26 Zn 0.66666666666667 0.33333333333333 0.70167662875284 65.380 27 Nb 0.00000000000000 0.00000000000000 0.63942529102615 92.906 28 Nb 0.00000000000000 0.00000000000000 0.86057470897385 92.906 29 Nb 0.00000000000000 0.00000000000000 0.36057470897385 92.906 30 Nb 0.00000000000000 0.00000000000000 0.13942529102615 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.375040403598394 0.000000000000000 0.000000000000000 b -5.187520201799198 8.985048554806164 0.000000000000000 c 0.000000000000000 0.000000000000000 14.162885149999999 Atomic positions (fractional): 1 O 0.00000000000000 0.35637269430373 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.35637269430373 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.85637269430373 0.25000000000000 15.999 > 1 4 O 0.50000000000000 0.85637269430373 0.25000000000000 15.999 > 1 5 O 0.14362730569627 0.14362730569627 0.25000000000000 15.999 > 5 6 O 0.64362730569627 0.14362730569627 0.25000000000000 15.999 > 5 7 O 0.14362730569627 0.64362730569627 0.25000000000000 15.999 > 5 8 O 0.64362730569627 0.64362730569627 0.25000000000000 15.999 > 5 9 O 0.35637269430373 0.00000000000000 0.25000000000000 15.999 > 9 10 O 0.85637269430373 0.00000000000000 0.25000000000000 15.999 > 9 11 O 0.35637269430373 0.50000000000000 0.25000000000000 15.999 > 9 12 O 0.85637269430373 0.50000000000000 0.25000000000000 15.999 > 9 13 O 0.00000000000000 0.14362730569627 0.75000000000000 15.999 > 13 14 O 0.50000000000000 0.14362730569627 0.75000000000000 15.999 > 13 15 O 0.00000000000000 0.64362730569627 0.75000000000000 15.999 > 13 16 O 0.50000000000000 0.64362730569627 0.75000000000000 15.999 > 13 17 O 0.35637269430373 0.35637269430373 0.75000000000000 15.999 > 17 18 O 0.85637269430373 0.35637269430373 0.75000000000000 15.999 > 17 19 O 0.35637269430373 0.85637269430373 0.75000000000000 15.999 > 17 20 O 0.85637269430373 0.85637269430373 0.75000000000000 15.999 > 17 21 O 0.14362730569627 0.00000000000000 0.75000000000000 15.999 > 21 22 O 0.64362730569627 0.00000000000000 0.75000000000000 15.999 > 21 23 O 0.14362730569627 0.50000000000000 0.75000000000000 15.999 > 21 24 O 0.64362730569627 0.50000000000000 0.75000000000000 15.999 > 21 25 O 0.01079439770608 0.17216584015144 0.41651425781862 15.999 > 25 26 O 0.51079439770608 0.17216584015144 0.41651425781862 15.999 > 25 27 O 0.01079439770608 0.67216584015144 0.41651425781862 15.999 > 25 28 O 0.51079439770608 0.67216584015144 0.41651425781862 15.999 > 25 29 O 0.16137144244537 0.48920560229392 0.41651425781862 15.999 > 29 30 O 0.66137144244537 0.48920560229392 0.41651425781862 15.999 > 29 31 O 0.16137144244537 0.98920560229392 0.41651425781862 15.999 > 29 32 O 0.66137144244537 0.98920560229392 0.41651425781862 15.999 > 29 33 O 0.32783415984856 0.33862855755463 0.41651425781862 15.999 > 33 34 O 0.82783415984856 0.33862855755463 0.41651425781862 15.999 > 33 35 O 0.32783415984856 0.83862855755463 0.41651425781862 15.999 > 33 36 O 0.82783415984856 0.83862855755463 0.41651425781862 15.999 > 33 37 O 0.33862855755463 0.32783415984856 0.08348574218138 15.999 > 37 38 O 0.83862855755463 0.32783415984856 0.08348574218138 15.999 > 37 39 O 0.33862855755463 0.82783415984856 0.08348574218138 15.999 > 37 40 O 0.83862855755463 0.82783415984856 0.08348574218138 15.999 > 37 41 O 0.17216584015144 0.01079439770608 0.08348574218138 15.999 > 41 42 O 0.67216584015144 0.01079439770608 0.08348574218138 15.999 > 41 43 O 0.17216584015144 0.51079439770608 0.08348574218138 15.999 > 41 44 O 0.67216584015144 0.51079439770608 0.08348574218138 15.999 > 41 45 O 0.48920560229392 0.16137144244537 0.08348574218138 15.999 > 45 46 O 0.98920560229392 0.16137144244537 0.08348574218138 15.999 > 45 47 O 0.48920560229392 0.66137144244537 0.08348574218138 15.999 > 45 48 O 0.98920560229392 0.66137144244537 0.08348574218138 15.999 > 45 49 O 0.01079439770608 0.33862855755463 0.91651425781862 15.999 > 49 50 O 0.51079439770608 0.33862855755463 0.91651425781862 15.999 > 49 51 O 0.01079439770608 0.83862855755463 0.91651425781862 15.999 > 49 52 O 0.51079439770608 0.83862855755463 0.91651425781862 15.999 > 49 53 O 0.32783415984856 0.48920560229392 0.91651425781862 15.999 > 53 54 O 0.82783415984856 0.48920560229392 0.91651425781862 15.999 > 53 55 O 0.32783415984856 0.98920560229392 0.91651425781862 15.999 > 53 56 O 0.82783415984856 0.98920560229392 0.91651425781862 15.999 > 53 57 O 0.16137144244537 0.17216584015144 0.91651425781862 15.999 > 57 58 O 0.66137144244537 0.17216584015144 0.91651425781862 15.999 > 57 59 O 0.16137144244537 0.67216584015144 0.91651425781862 15.999 > 57 60 O 0.66137144244537 0.67216584015144 0.91651425781862 15.999 > 57 61 O 0.17216584015144 0.16137144244537 0.58348574218138 15.999 > 61 62 O 0.67216584015144 0.16137144244537 0.58348574218138 15.999 > 61 63 O 0.17216584015144 0.66137144244537 0.58348574218138 15.999 > 61 64 O 0.67216584015144 0.66137144244537 0.58348574218138 15.999 > 61 65 O 0.33862855755463 0.01079439770608 0.58348574218138 15.999 > 65 66 O 0.83862855755463 0.01079439770608 0.58348574218138 15.999 > 65 67 O 0.33862855755463 0.51079439770608 0.58348574218138 15.999 > 65 68 O 0.83862855755463 0.51079439770608 0.58348574218138 15.999 > 65 69 O 0.48920560229392 0.32783415984856 0.58348574218138 15.999 > 69 70 O 0.98920560229392 0.32783415984856 0.58348574218138 15.999 > 69 71 O 0.48920560229392 0.82783415984856 0.58348574218138 15.999 > 69 72 O 0.98920560229392 0.82783415984856 0.58348574218138 15.999 > 69 73 Zn 0.33333333333333 0.16666666666667 0.98487313727093 65.380 > 73 74 Zn 0.83333333333333 0.16666666666667 0.98487313727093 65.380 > 73 75 Zn 0.33333333333333 0.66666666666667 0.98487313727093 65.380 > 73 76 Zn 0.83333333333333 0.66666666666667 0.98487313727093 65.380 > 73 77 Zn 0.16666666666667 0.33333333333333 0.51512686272907 65.380 > 77 78 Zn 0.66666666666667 0.33333333333333 0.51512686272907 65.380 > 77 79 Zn 0.16666666666667 0.83333333333333 0.51512686272907 65.380 > 77 80 Zn 0.66666666666667 0.83333333333333 0.51512686272907 65.380 > 77 81 Zn 0.16666666666667 0.33333333333333 0.01512686272907 65.380 > 81 82 Zn 0.66666666666667 0.33333333333333 0.01512686272907 65.380 > 81 83 Zn 0.16666666666667 0.83333333333333 0.01512686272907 65.380 > 81 84 Zn 0.66666666666667 0.83333333333333 0.01512686272907 65.380 > 81 85 Zn 0.33333333333333 0.16666666666667 0.48487313727093 65.380 > 85 86 Zn 0.83333333333333 0.16666666666667 0.48487313727093 65.380 > 85 87 Zn 0.33333333333333 0.66666666666667 0.48487313727093 65.380 > 85 88 Zn 0.83333333333333 0.66666666666667 0.48487313727093 65.380 > 85 89 Zn 0.33333333333333 0.16666666666667 0.20167662875284 65.380 > 89 90 Zn 0.83333333333333 0.16666666666667 0.20167662875284 65.380 > 89 91 Zn 0.33333333333333 0.66666666666667 0.20167662875284 65.380 > 89 92 Zn 0.83333333333333 0.66666666666667 0.20167662875284 65.380 > 89 93 Zn 0.16666666666667 0.33333333333333 0.29832337124716 65.380 > 93 94 Zn 0.66666666666667 0.33333333333333 0.29832337124716 65.380 > 93 95 Zn 0.16666666666667 0.83333333333333 0.29832337124716 65.380 > 93 96 Zn 0.66666666666667 0.83333333333333 0.29832337124716 65.380 > 93 97 Zn 0.16666666666667 0.33333333333333 0.79832337124716 65.380 > 97 98 Zn 0.66666666666667 0.33333333333333 0.79832337124716 65.380 > 97 99 Zn 0.16666666666667 0.83333333333333 0.79832337124716 65.380 > 97 100 Zn 0.66666666666667 0.83333333333333 0.79832337124716 65.380 > 97 101 Zn 0.33333333333333 0.16666666666667 0.70167662875284 65.380 > 101 102 Zn 0.83333333333333 0.16666666666667 0.70167662875284 65.380 > 101 103 Zn 0.33333333333333 0.66666666666667 0.70167662875284 65.380 > 101 104 Zn 0.83333333333333 0.66666666666667 0.70167662875284 65.380 > 101 105 Nb 0.00000000000000 0.00000000000000 0.63942529102615 92.906 > 105 106 Nb 0.50000000000000 0.00000000000000 0.63942529102615 92.906 > 105 107 Nb 0.00000000000000 0.50000000000000 0.63942529102615 92.906 > 105 108 Nb 0.50000000000000 0.50000000000000 0.63942529102615 92.906 > 105 109 Nb 0.00000000000000 0.00000000000000 0.86057470897385 92.906 > 109 110 Nb 0.50000000000000 0.00000000000000 0.86057470897385 92.906 > 109 111 Nb 0.00000000000000 0.50000000000000 0.86057470897385 92.906 > 109 112 Nb 0.50000000000000 0.50000000000000 0.86057470897385 92.906 > 109 113 Nb 0.00000000000000 0.00000000000000 0.36057470897385 92.906 > 113 114 Nb 0.50000000000000 0.00000000000000 0.36057470897385 92.906 > 113 115 Nb 0.00000000000000 0.50000000000000 0.36057470897385 92.906 > 113 116 Nb 0.50000000000000 0.50000000000000 0.36057470897385 92.906 > 113 117 Nb 0.00000000000000 0.00000000000000 0.13942529102615 92.906 > 117 118 Nb 0.50000000000000 0.00000000000000 0.13942529102615 92.906 > 117 119 Nb 0.00000000000000 0.50000000000000 0.13942529102615 92.906 > 117 120 Nb 0.50000000000000 0.50000000000000 0.13942529102615 92.906 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6507081 0.0000000 0.0000000 0.0000000 5.6507081 0.0000000 0.0000000 0.0000000 5.1364630 -------------------------- Born effective charges -------------------------- 1 O -2.0084554 0.6562537 -0.2431433 0.6562537 -2.7662319 -0.1403789 -0.2667391 -0.1540019 -2.5661654 2 O -2.0084554 -0.6562537 0.2431433 -0.6562537 -2.7662319 -0.1403789 0.2667391 -0.1540019 -2.5661654 3 O -3.1451202 0.0000000 0.0000000 0.0000000 -1.6295672 0.2807577 -0.0000000 0.3080037 -2.5661654 4 O -2.0084554 0.6562537 -0.2431433 0.6562537 -2.7662319 -0.1403789 -0.2667391 -0.1540019 -2.5661654 5 O -2.0084554 -0.6562537 0.2431433 -0.6562537 -2.7662319 -0.1403789 0.2667391 -0.1540019 -2.5661654 6 O -3.1451202 0.0000000 0.0000000 0.0000000 -1.6295672 0.2807577 -0.0000000 0.3080037 -2.5661654 7 O -1.8167828 0.8677704 0.5601174 0.8052507 -3.2881893 -0.8172558 0.6473661 -0.8505475 -2.0879575 8 O -3.6447771 0.2501423 -0.9878230 0.1876226 -1.4601950 -0.0764479 -1.0602788 -0.1353617 -2.0879575 9 O -2.1958983 -1.0241331 0.4277056 -1.0866529 -2.9090738 0.8937038 0.4129127 0.9859093 -2.0879575 10 O -1.8167828 -0.8677704 -0.5601174 -0.8052507 -3.2881893 -0.8172558 -0.6473661 -0.8505475 -2.0879575 11 O -3.6447771 -0.2501423 0.9878230 -0.1876226 -1.4601950 -0.0764479 1.0602788 -0.1353617 -2.0879575 12 O -2.1958983 1.0241331 -0.4277056 1.0866529 -2.9090738 0.8937038 -0.4129127 0.9859093 -2.0879575 13 O -2.1958983 1.0241331 -0.4277056 1.0866529 -2.9090738 0.8937038 -0.4129127 0.9859093 -2.0879575 14 O -3.6447771 -0.2501423 0.9878230 -0.1876226 -1.4601950 -0.0764479 1.0602788 -0.1353617 -2.0879575 15 O -1.8167828 -0.8677704 -0.5601174 -0.8052507 -3.2881893 -0.8172558 -0.6473661 -0.8505475 -2.0879575 16 O -2.1958983 -1.0241331 0.4277056 -1.0866529 -2.9090738 0.8937038 0.4129127 0.9859093 -2.0879575 17 O -3.6447771 0.2501423 -0.9878230 0.1876226 -1.4601950 -0.0764479 -1.0602788 -0.1353617 -2.0879575 18 O -1.8167828 0.8677704 0.5601174 0.8052507 -3.2881893 -0.8172558 0.6473661 -0.8505475 -2.0879575 19 Zn 2.6617694 -0.0489828 0.0000000 0.0489828 2.6617694 0.0000000 -0.0000000 -0.0000000 2.9029802 20 Zn 2.6617694 0.0489828 0.0000000 -0.0489828 2.6617694 0.0000000 -0.0000000 -0.0000000 2.9029802 21 Zn 2.6617694 -0.0489828 0.0000000 0.0489828 2.6617694 0.0000000 -0.0000000 -0.0000000 2.9029802 22 Zn 2.6617694 0.0489828 0.0000000 -0.0489828 2.6617694 0.0000000 -0.0000000 -0.0000000 2.9029802 23 Zn 2.6569473 -0.0801860 0.0000000 0.0801860 2.6569473 0.0000000 -0.0000000 -0.0000000 1.8803732 24 Zn 2.6569473 0.0801860 0.0000000 -0.0801860 2.6569473 0.0000000 -0.0000000 -0.0000000 1.8803732 25 Zn 2.6569473 -0.0801860 0.0000000 0.0801860 2.6569473 0.0000000 -0.0000000 -0.0000000 1.8803732 26 Zn 2.6569473 0.0801860 0.0000000 -0.0801860 2.6569473 0.0000000 -0.0000000 -0.0000000 1.8803732 27 Nb 5.9197570 0.1180882 0.0000000 -0.1180882 5.9197570 0.0000000 -0.0000000 -0.0000000 5.3297673 28 Nb 5.9197570 -0.1180882 0.0000000 0.1180882 5.9197570 0.0000000 -0.0000000 -0.0000000 5.3297673 29 Nb 5.9197570 0.1180882 0.0000000 -0.1180882 5.9197570 0.0000000 -0.0000000 -0.0000000 5.3297673 30 Nb 5.9197570 -0.1180882 0.0000000 0.1180882 5.9197570 0.0000000 -0.0000000 -0.0000000 5.3297673 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 11 11 4 ] 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: 287, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/58) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.552 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 5.814 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.393 ( 0.000 0.000 0.000) 0.000 6.393 ( 0.000 0.000 0.000) 0.000 6.606 ( 0.000 0.000 0.000) 0.000 6.606 ( 0.000 0.000 0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.260 ( 0.000 0.000 0.000) 0.000 7.260 ( 0.000 0.000 0.000) 0.000 7.261 ( 0.000 0.000 0.000) 0.000 7.261 ( 0.000 0.000 0.000) 0.000 8.368 ( 0.000 0.000 0.000) 0.000 8.458 ( 0.000 0.000 0.000) 0.000 8.645 ( 0.000 0.000 0.000) 0.000 8.645 ( 0.000 0.000 0.000) 0.000 9.831 ( 0.000 0.000 0.000) 0.000 9.831 ( 0.000 0.000 0.000) 0.000 10.050 ( 0.000 0.000 0.000) 0.000 10.050 ( 0.000 0.000 0.000) 0.000 10.301 ( 0.000 0.000 0.000) 0.000 10.309 ( 0.000 0.000 0.000) 0.000 10.320 ( 0.000 0.000 0.000) 0.000 10.447 ( 0.000 0.000 0.000) 0.000 10.447 ( 0.000 0.000 0.000) 0.000 10.618 ( 0.000 0.000 0.000) 0.000 10.618 ( 0.000 0.000 0.000) 0.000 10.764 ( 0.000 0.000 0.000) 0.000 10.764 ( 0.000 0.000 0.000) 0.000 11.247 ( 0.000 0.000 0.000) 0.000 11.295 ( 0.000 0.000 0.000) 0.000 11.835 ( 0.000 0.000 0.000) 0.000 12.405 ( 0.000 0.000 0.000) 0.000 12.569 ( 0.000 0.000 0.000) 0.000 12.786 ( 0.000 0.000 0.000) 0.000 12.786 ( 0.000 0.000 0.000) 0.000 12.795 ( 0.000 0.000 0.000) 0.000 12.795 ( 0.000 0.000 0.000) 0.000 12.977 ( 0.000 0.000 0.000) 0.000 16.514 ( 0.000 0.000 0.000) 0.000 16.811 ( 0.000 0.000 0.000) 0.000 16.811 ( 0.000 0.000 0.000) 0.000 16.826 ( 0.000 0.000 0.000) 0.000 16.826 ( 0.000 0.000 0.000) 0.000 17.356 ( 0.000 0.000 0.000) 0.000 17.356 ( 0.000 0.000 0.000) 0.000 17.466 ( 0.000 0.000 0.000) 0.000 17.466 ( 0.000 0.000 0.000) 0.000 18.015 ( 0.000 0.000 0.000) 0.000 18.037 ( 0.000 0.000 0.000) 0.000 18.852 ( 0.000 0.000 0.000) 0.000 19.072 ( 0.000 0.000 0.000) 0.000 19.072 ( 0.000 0.000 0.000) 0.000 19.124 ( 0.000 0.000 0.000) 0.000 19.124 ( 0.000 0.000 0.000) 0.000 21.502 ( 0.000 0.000 0.000) 0.000 22.912 ( 0.000 0.000 0.000) 0.000 23.311 ( 0.000 0.000 0.000) 0.000 23.378 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/58) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 18.188 10.501 -5.710) 21.764 0.658 ( 27.476 15.863 -6.364) 32.359 1.357 ( 56.313 32.512 4.832) 65.204 1.713 ( -0.127 -0.073 21.199) 21.199 1.765 ( 8.879 5.126 -12.773) 16.379 2.077 ( 11.081 6.398 -21.759) 25.242 2.185 ( 16.481 9.515 14.225) 23.759 2.607 ( -6.738 -3.890 -0.797) 7.821 2.707 ( 1.122 0.648 0.092) 1.299 2.767 ( 0.885 0.511 0.186) 1.038 3.123 ( 1.518 0.877 0.381) 1.794 3.483 ( -8.461 -4.885 19.751) 22.035 3.533 ( -4.733 -2.732 -18.481) 19.272 3.823 ( 3.400 1.963 -18.692) 19.100 3.863 ( 7.798 4.502 19.772) 21.725 3.883 ( -0.936 -0.540 -2.597) 2.812 4.103 ( -5.527 -3.191 0.779) 6.430 4.224 ( 3.120 1.801 0.151) 3.606 4.231 ( 4.490 2.592 -2.964) 5.972 4.291 ( 0.288 0.166 -3.489) 3.505 4.530 ( -0.878 -0.507 3.306) 3.458 4.590 ( -8.913 -5.146 7.671) 12.836 4.595 ( -1.867 -1.078 -3.776) 4.348 4.875 ( 7.809 4.508 -3.288) 9.597 5.084 ( 7.321 4.227 4.208) 9.443 5.423 ( -0.677 -0.391 -12.336) 12.361 5.441 ( -0.175 -0.101 7.848) 7.851 5.684 ( -2.026 -1.170 7.631) 7.981 5.689 ( -1.938 -1.119 -8.342) 8.637 5.799 ( -1.026 -0.592 -0.343) 1.233 6.227 ( -4.842 -2.796 -2.764) 6.237 6.232 ( -4.050 -2.338 0.158) 4.679 6.371 ( 2.426 1.401 0.427) 2.834 6.620 ( -9.144 -5.279 6.881) 12.603 6.632 ( -6.170 -3.562 -6.269) 9.490 6.819 ( 1.646 0.951 9.530) 9.718 6.837 ( -0.563 -0.325 -0.715) 0.967 7.144 ( -1.384 -0.799 -7.321) 7.493 7.232 ( -0.934 -0.539 -3.477) 3.640 7.233 ( -0.842 -0.486 22.215) 22.236 7.367 ( 3.904 2.254 -16.003) 16.626 7.522 ( 13.089 7.557 5.565) 16.106 7.545 ( 15.653 9.037 -6.926) 19.356 8.355 ( -0.689 -0.398 -0.142) 0.809 8.488 ( 2.555 1.475 0.468) 2.988 8.679 ( 2.239 1.293 5.649) 6.213 8.722 ( 6.372 3.679 -4.576) 8.665 9.088 ( -38.249 -22.083 2.435) 44.233 9.711 ( -9.698 -5.599 -7.936) 13.725 9.831 ( -20.924 -12.081 1.986) 24.243 9.992 ( -15.713 -9.072 2.530) 18.319 10.137 ( -0.432 -0.250 2.695) 2.741 10.211 ( -0.916 -0.529 -3.457) 3.615 10.323 ( 2.426 1.401 3.852) 4.764 10.474 ( -3.051 -1.761 -2.052) 4.077 10.660 ( 3.315 1.914 0.307) 3.841 10.692 ( 7.126 4.114 -0.389) 8.237 10.752 ( -1.472 -0.850 0.357) 1.737 11.261 ( -1.679 -0.970 -1.034) 2.198 11.268 ( 3.219 1.858 -0.129) 3.719 11.441 ( 35.262 20.359 2.231) 40.779 11.714 ( -1.914 -1.105 4.723) 5.215 11.798 ( 6.130 3.539 -7.557) 10.354 12.183 ( -11.611 -6.703 0.318) 13.411 12.487 ( -5.351 -3.089 -0.684) 6.216 12.719 ( -8.435 -4.870 -0.466) 9.751 12.880 ( 5.199 3.001 0.991) 6.084 12.922 ( -0.650 -0.375 1.146) 1.370 13.147 ( 24.132 13.932 -2.675) 27.993 13.945 ( 8.210 4.740 2.078) 9.705 16.218 ( -18.835 -10.875 1.102) 21.777 16.644 ( -31.627 -18.260 -1.071) 36.535 16.762 ( -5.830 -3.366 0.177) 6.734 16.770 ( -5.501 -3.176 -0.038) 6.352 16.921 ( -3.468 -2.002 -0.198) 4.009 16.971 ( 5.631 3.251 0.724) 6.542 17.410 ( 5.559 3.209 -0.494) 6.437 17.520 ( 4.869 2.811 0.139) 5.624 17.927 ( -6.716 -3.878 -0.042) 7.755 18.014 ( -1.953 -1.127 0.060) 2.256 19.107 ( 2.495 1.440 -0.139) 2.884 19.110 ( 4.572 2.639 0.211) 5.283 19.182 ( 4.965 2.866 -0.488) 5.753 19.201 ( 6.092 3.517 0.468) 7.049 19.516 ( 38.702 22.345 -0.293) 44.691 21.538 ( 2.936 1.695 0.384) 3.412 22.253 ( -1.021 -0.590 -0.040) 1.180 22.864 ( -3.752 -2.166 -0.011) 4.333 23.260 ( -4.378 -2.528 0.001) 5.056 23.350 ( -2.343 -1.353 0.002) 2.706 ======================= Grid point 2 (3/58) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 18.390 10.617 -5.283) 21.882 1.268 ( 24.319 14.041 -7.290) 29.013 1.745 ( 2.535 1.464 18.210) 18.443 1.936 ( 3.296 1.903 -4.973) 6.262 2.385 ( 14.746 8.514 -20.004) 26.270 2.392 ( -1.231 -0.711 7.265) 7.403 2.399 ( -5.802 -3.350 -1.275) 6.820 2.482 ( 22.476 12.977 1.279) 25.985 2.872 ( 24.803 14.320 3.655) 28.873 2.901 ( 9.732 5.619 4.748) 12.199 3.244 ( 5.788 3.342 10.280) 12.262 3.310 ( -1.129 -0.652 7.380) 7.494 3.438 ( -3.260 -1.882 -14.307) 14.794 3.804 ( -0.893 -0.516 -2.001) 2.251 3.936 ( -7.414 -4.280 3.321) 9.183 4.000 ( 6.960 4.018 -17.266) 19.045 4.015 ( 4.058 2.343 13.944) 14.710 4.242 ( -1.893 -1.093 -4.993) 5.451 4.274 ( -2.678 -1.546 -12.613) 12.987 4.322 ( -3.428 -1.979 -2.404) 4.631 4.457 ( 3.798 2.193 5.516) 7.047 4.570 ( 5.199 3.002 21.807) 22.618 4.636 ( 6.955 4.016 -9.553) 12.480 4.974 ( -4.084 -2.358 -6.161) 7.759 5.121 ( -4.662 -2.691 5.823) 7.930 5.391 ( -1.190 -0.687 17.208) 17.262 5.442 ( 1.340 0.773 -13.546) 13.634 5.586 ( -6.090 -3.516 -8.232) 10.826 5.661 ( 2.137 1.234 8.136) 8.502 5.807 ( 2.060 1.189 -4.152) 4.785 6.113 ( -7.708 -4.450 -1.473) 9.021 6.218 ( 1.716 0.991 -3.908) 4.382 6.354 ( -6.339 -3.660 8.991) 11.594 6.400 ( -9.187 -5.304 -5.982) 12.179 6.468 ( 4.137 2.389 -2.180) 5.251 6.872 ( -0.091 -0.053 -6.053) 6.054 6.934 ( 2.822 1.629 21.673) 21.916 7.114 ( -1.243 -0.717 -15.398) 15.465 7.210 ( -0.319 -0.184 -0.858) 0.934 7.249 ( 4.097 2.366 16.695) 17.352 7.466 ( 4.116 2.376 -10.760) 11.762 7.799 ( 9.859 5.692 5.946) 12.843 7.910 ( 15.091 8.713 -10.831) 20.517 8.269 ( -27.493 -15.873 2.197) 31.822 8.354 ( 0.661 0.381 -0.523) 0.925 8.573 ( 4.471 2.581 2.463) 5.720 8.819 ( 5.467 3.156 12.259) 13.789 8.921 ( 9.950 5.745 -7.045) 13.478 9.304 ( -22.690 -13.100 0.743) 26.211 9.400 ( -16.946 -9.784 -6.321) 20.563 9.561 ( -18.486 -10.673 -1.103) 21.374 10.111 ( -2.421 -1.398 9.406) 9.813 10.239 ( 2.444 1.411 -10.620) 10.989 10.369 ( -5.482 -3.165 -4.275) 7.638 10.386 ( 1.879 1.085 5.655) 6.057 10.608 ( -9.041 -5.220 2.840) 10.819 10.757 ( 4.447 2.567 -0.200) 5.139 10.825 ( 5.157 2.977 -0.513) 5.977 11.242 ( 0.200 0.115 -2.495) 2.506 11.389 ( 5.255 3.034 -0.048) 6.068 11.549 ( -7.235 -4.177 2.843) 8.825 11.692 ( -10.791 -6.230 1.340) 12.533 12.058 ( 11.426 6.597 -5.708) 14.375 12.196 ( 6.487 3.745 4.143) 8.560 12.350 ( -6.204 -3.582 0.497) 7.181 12.441 ( -8.323 -4.805 -0.599) 9.629 12.975 ( 3.971 2.293 -0.614) 4.626 12.988 ( 3.754 2.167 0.723) 4.394 13.815 ( 29.877 17.249 -2.624) 34.598 14.202 ( 13.015 7.514 2.285) 15.201 15.743 ( -20.651 -11.923 0.530) 23.852 15.839 ( -31.160 -17.990 -0.547) 35.985 16.575 ( -9.754 -5.631 -0.360) 11.268 16.594 ( -9.007 -5.200 0.242) 10.403 16.984 ( 3.967 2.290 -1.820) 4.929 17.030 ( 0.493 0.285 2.405) 2.471 17.611 ( 10.112 5.838 -1.194) 11.737 17.674 ( 2.517 1.453 1.967) 3.509 17.777 ( 0.677 0.391 -1.386) 1.591 17.948 ( -3.278 -1.893 0.189) 3.790 19.162 ( 1.736 1.002 0.085) 2.006 19.238 ( 6.020 3.476 -0.010) 6.952 19.341 ( 8.145 4.702 -1.165) 9.477 19.369 ( 7.662 4.424 1.020) 8.906 20.355 ( 31.245 18.039 -0.400) 36.081 21.627 ( 4.354 2.514 0.815) 5.093 22.229 ( -0.665 -0.384 -0.144) 0.781 22.765 ( -4.168 -2.406 -0.139) 4.815 23.108 ( -8.598 -4.964 0.068) 9.928 23.267 ( -4.854 -2.802 0.013) 5.604 ======================= Grid point 3 (4/58) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 16.603 9.586 -5.025) 19.819 1.731 ( 10.607 6.124 -7.339) 14.278 1.800 ( 1.826 1.054 11.492) 11.684 1.953 ( 2.757 1.592 -0.581) 3.236 2.247 ( -3.261 -1.883 -0.809) 3.851 2.266 ( -5.209 -3.008 2.601) 6.553 2.615 ( 2.375 1.371 -2.765) 3.895 2.775 ( 14.822 8.557 -16.245) 23.597 2.989 ( -3.248 -1.875 11.149) 11.762 3.316 ( 5.949 3.434 6.659) 9.567 3.378 ( -1.677 -0.968 -7.900) 8.134 3.452 ( 0.954 0.551 10.649) 10.706 3.497 ( 6.732 3.887 2.319) 8.112 3.814 ( 1.872 1.081 2.575) 3.362 3.976 ( 0.898 0.519 7.308) 7.381 4.056 ( 8.021 4.631 1.960) 9.467 4.100 ( -6.870 -3.967 -1.662) 8.105 4.174 ( 6.033 3.483 -16.832) 18.217 4.219 ( 8.322 4.805 -1.170) 9.680 4.271 ( 1.843 1.064 -9.024) 9.272 4.618 ( 5.386 3.110 1.236) 6.341 4.673 ( -14.301 -8.257 -1.140) 16.553 4.805 ( 12.333 7.120 8.940) 16.814 4.847 ( 10.129 5.848 -1.691) 11.817 4.966 ( -5.704 -3.293 3.090) 7.275 5.323 ( -10.061 -5.809 -10.357) 15.563 5.477 ( 5.451 3.147 13.859) 15.222 5.527 ( -0.219 -0.127 -0.323) 0.411 5.758 ( 5.424 3.132 4.741) 7.855 5.804 ( -5.287 -3.052 -3.197) 6.891 5.958 ( 0.160 0.093 1.311) 1.324 6.197 ( -5.865 -3.386 -5.715) 8.862 6.266 ( -0.285 -0.164 -6.438) 6.446 6.363 ( 4.667 2.694 4.573) 7.068 6.555 ( 2.157 1.245 -3.653) 4.421 6.803 ( -4.727 -2.729 -9.686) 11.118 6.927 ( -2.000 -1.155 19.234) 19.372 7.069 ( -2.517 -1.453 -12.553) 12.885 7.246 ( 3.287 1.898 5.557) 6.729 7.435 ( 9.824 5.672 11.169) 15.919 7.527 ( 0.402 0.232 -7.926) 7.940 7.733 ( -18.456 -10.656 2.828) 21.498 7.976 ( 5.473 3.160 2.000) 6.629 8.218 ( 8.977 5.183 -11.640) 15.587 8.397 ( 4.058 2.343 -0.748) 4.745 8.660 ( 0.376 0.217 4.291) 4.313 8.782 ( -18.146 -10.477 0.961) 20.975 8.967 ( -15.814 -9.130 -0.715) 18.275 8.985 ( 5.050 2.916 13.810) 14.991 9.075 ( -4.513 -2.606 -7.523) 9.152 9.296 ( 2.974 1.717 -4.463) 5.631 10.024 ( -5.049 -2.915 3.675) 6.891 10.215 ( -7.365 -4.252 -0.741) 8.537 10.287 ( 1.216 0.702 -9.137) 9.244 10.382 ( -2.757 -1.592 1.470) 3.507 10.404 ( -6.713 -3.876 4.265) 8.847 10.842 ( 2.604 1.504 -0.534) 3.054 10.973 ( 7.118 4.109 0.183) 8.221 11.263 ( 0.690 0.399 -2.924) 3.030 11.369 ( -11.307 -6.528 3.588) 13.540 11.463 ( 1.082 0.625 1.195) 1.729 11.489 ( -0.071 -0.041 -1.273) 1.275 11.969 ( -14.462 -8.350 2.267) 16.853 12.188 ( -5.410 -3.123 -3.453) 7.138 12.297 ( 6.608 3.815 1.747) 7.828 12.566 ( 8.087 4.669 -0.552) 9.354 13.060 ( 2.705 1.562 0.058) 3.124 13.082 ( 4.994 2.883 0.345) 5.777 14.391 ( 16.838 9.721 -1.367) 19.491 14.496 ( 10.291 5.941 1.118) 11.935 15.248 ( -18.659 -10.773 0.735) 21.558 15.311 ( -14.777 -8.532 -0.883) 17.086 16.348 ( -8.334 -4.812 -1.225) 9.701 16.387 ( -7.570 -4.371 1.028) 8.802 17.026 ( -0.737 -0.426 3.507) 3.609 17.044 ( 0.185 0.107 -3.223) 3.230 17.544 ( -6.021 -3.476 1.853) 7.195 17.713 ( -4.347 -2.510 -1.161) 5.152 17.997 ( 10.217 5.899 -0.437) 11.806 18.073 ( 17.145 9.899 -0.342) 19.801 19.170 ( -1.348 -0.778 0.310) 1.587 19.361 ( 3.776 2.180 -0.513) 4.391 19.539 ( 8.283 4.782 -1.449) 9.674 19.542 ( 6.948 4.012 1.640) 8.189 20.970 ( 22.038 12.724 -0.489) 25.452 21.728 ( 4.019 2.321 1.111) 4.772 22.237 ( 1.654 0.955 -0.251) 1.926 22.684 ( -2.642 -1.525 -0.903) 3.182 22.865 ( -11.950 -6.899 0.692) 13.816 23.124 ( -7.354 -4.246 0.031) 8.492 ======================= Grid point 4 (5/58) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 8.024 4.632 -3.541) 9.919 1.748 ( -1.291 -0.745 -2.195) 2.653 1.893 ( 7.808 4.508 4.394) 10.029 1.972 ( -4.494 -2.595 0.871) 5.262 2.231 ( 0.388 0.224 1.519) 1.584 2.397 ( 13.482 7.784 -4.558) 16.221 2.659 ( 2.647 1.529 -5.185) 6.019 2.871 ( -5.850 -3.377 5.094) 8.460 3.112 ( 11.625 6.712 -13.196) 18.824 3.287 ( -7.872 -4.545 13.671) 16.417 3.318 ( -6.608 -3.815 7.994) 11.051 3.339 ( -2.210 -1.276 -3.911) 4.670 3.593 ( 2.773 1.601 -0.337) 3.220 3.796 ( -8.179 -4.722 -0.678) 9.468 3.871 ( 2.147 1.239 4.507) 5.144 3.931 ( -6.373 -3.679 0.030) 7.359 3.964 ( -9.010 -5.202 -0.935) 10.446 4.153 ( -11.139 -6.431 -0.537) 12.874 4.330 ( 6.688 3.862 -11.975) 14.250 4.582 ( -0.820 -0.473 2.737) 2.896 4.615 ( 9.144 5.279 4.258) 11.384 4.707 ( 2.994 1.729 5.698) 6.664 5.000 ( 5.460 3.152 -8.415) 10.515 5.009 ( -2.948 -1.702 -1.145) 3.592 5.191 ( 16.028 9.254 2.514) 18.678 5.215 ( 16.440 9.492 -3.687) 19.338 5.479 ( -2.885 -1.666 0.872) 3.444 5.565 ( 1.913 1.104 11.596) 11.805 5.757 ( 3.183 1.838 -2.634) 4.522 5.884 ( 4.215 2.433 -1.341) 5.048 5.997 ( 1.468 0.848 1.326) 2.152 6.057 ( -6.281 -3.626 -3.434) 8.025 6.239 ( -2.290 -1.322 -2.233) 3.461 6.523 ( 8.214 4.742 4.693) 10.582 6.537 ( -3.073 -1.774 -7.950) 8.706 6.756 ( 1.838 1.061 -1.842) 2.810 6.876 ( -2.206 -1.274 13.274) 13.516 6.997 ( -3.938 -2.274 -13.497) 14.242 7.325 ( 2.294 1.324 8.228) 8.644 7.396 ( -10.225 -5.903 -0.845) 11.837 7.457 ( -4.884 -2.820 -1.602) 5.863 7.666 ( 8.493 4.903 5.183) 11.092 8.014 ( -4.610 -2.661 -0.283) 5.330 8.234 ( -6.474 -3.738 -7.587) 10.651 8.443 ( -7.978 -4.606 0.817) 9.248 8.503 ( -5.417 -3.128 2.827) 6.864 8.573 ( 7.834 4.523 -2.216) 9.313 8.805 ( -6.487 -3.745 -4.767) 8.879 8.906 ( -2.065 -1.192 -1.162) 2.652 9.108 ( 4.342 2.507 11.419) 12.471 9.520 ( 10.730 6.195 -1.515) 12.483 9.917 ( -2.481 -1.432 -2.070) 3.534 10.037 ( -7.495 -4.327 3.789) 9.448 10.255 ( -3.251 -1.877 -3.919) 5.427 10.277 ( -5.306 -3.063 -3.404) 7.009 10.335 ( -1.058 -0.611 3.135) 3.365 10.891 ( 1.849 1.068 -1.081) 2.393 11.084 ( -2.551 -1.473 0.993) 3.108 11.155 ( -1.679 -0.969 -0.078) 1.940 11.255 ( -0.847 -0.489 -0.456) 1.079 11.499 ( 0.829 0.479 0.682) 1.175 11.557 ( 4.272 2.466 -0.456) 4.954 11.683 ( -9.073 -5.238 1.790) 10.628 12.077 ( -2.581 -1.490 -2.106) 3.649 12.409 ( 2.569 1.483 2.078) 3.622 12.701 ( 3.556 2.053 -1.179) 4.272 13.125 ( 2.945 1.700 -0.380) 3.421 13.202 ( 4.981 2.876 0.752) 5.800 14.527 ( -3.475 -2.006 -1.095) 4.160 14.584 ( -2.766 -1.597 0.511) 3.234 14.999 ( -4.265 -2.463 2.344) 5.455 15.116 ( -2.750 -1.588 -2.353) 3.952 16.259 ( 1.814 1.047 -1.545) 2.602 16.309 ( 2.181 1.259 1.311) 2.839 16.955 ( -7.756 -4.478 -3.089) 9.474 16.977 ( -4.134 -2.386 4.351) 6.459 17.461 ( -1.160 -0.669 1.694) 2.159 17.554 ( -7.178 -4.144 -1.809) 8.484 18.286 ( 12.895 7.445 -0.748) 14.909 18.494 ( 17.772 10.261 -0.111) 20.521 19.094 ( -5.119 -2.956 0.498) 5.932 19.389 ( -1.624 -0.938 -0.619) 1.975 19.686 ( 5.103 2.946 1.511) 6.083 19.708 ( 5.844 3.374 -1.190) 6.852 21.420 ( 17.152 9.903 -0.309) 19.808 21.807 ( 2.644 1.527 0.946) 3.197 22.317 ( 5.271 3.043 -0.206) 6.090 22.553 ( -13.602 -7.853 -3.097) 16.009 22.647 ( -1.487 -0.859 2.729) 3.224 22.927 ( -9.293 -5.365 0.043) 10.731 ======================= Grid point 5 (6/58) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 4.390 2.534 -1.582) 5.310 1.783 ( 3.572 2.062 -4.190) 5.880 1.871 ( -3.450 -1.992 4.708) 6.167 2.027 ( 0.259 0.150 1.062) 1.103 2.276 ( 4.173 2.409 1.560) 5.065 2.571 ( -1.751 -1.011 -3.398) 3.954 2.747 ( 3.762 2.172 -6.365) 7.706 2.851 ( 8.208 4.739 -2.743) 9.867 3.078 ( -5.406 -3.121 7.230) 9.552 3.096 ( -10.622 -6.133 7.386) 14.317 3.165 ( -5.504 -3.178 0.471) 6.373 3.482 ( 11.071 6.392 -7.426) 14.784 3.659 ( 2.858 1.650 1.590) 3.663 3.682 ( -2.408 -1.390 -2.345) 3.637 3.739 ( -8.936 -5.159 4.178) 11.132 3.804 ( -4.198 -2.424 -0.535) 4.876 3.900 ( -0.258 -0.149 3.771) 3.782 3.961 ( -3.649 -2.107 -2.879) 5.103 4.459 ( 3.399 1.962 -5.187) 6.505 4.516 ( -1.634 -0.943 -2.825) 3.397 4.655 ( -4.984 -2.878 6.655) 8.798 4.825 ( 5.839 3.371 5.553) 8.734 4.972 ( 2.949 1.702 -3.398) 4.811 5.090 ( 2.296 1.326 -2.663) 3.758 5.259 ( -6.007 -3.468 2.483) 7.367 5.498 ( 7.422 4.285 -1.605) 8.719 5.610 ( 4.638 2.678 0.842) 5.421 5.707 ( 6.842 3.950 0.421) 7.912 5.825 ( -8.722 -5.036 -2.558) 10.391 5.955 ( 11.293 6.520 -3.760) 13.572 5.986 ( 0.343 0.198 1.163) 1.228 6.024 ( 2.015 1.164 1.840) 2.967 6.179 ( -2.080 -1.201 1.718) 2.953 6.490 ( -0.591 -0.341 -3.785) 3.846 6.698 ( 5.382 3.108 11.445) 13.024 6.822 ( -2.100 -1.213 0.743) 2.536 6.839 ( 3.666 2.117 0.878) 4.323 6.874 ( -5.687 -3.284 -11.222) 13.002 7.202 ( -5.154 -2.976 0.104) 5.953 7.363 ( -1.896 -1.095 -0.479) 2.241 7.378 ( 1.113 0.642 1.998) 2.376 7.765 ( -3.520 -2.032 2.359) 4.700 7.862 ( -0.551 -0.318 0.646) 0.906 8.058 ( -5.195 -2.999 -2.251) 6.407 8.368 ( -0.828 -0.478 -0.472) 1.066 8.520 ( 3.352 1.935 -0.009) 3.871 8.651 ( -4.767 -2.752 -2.048) 5.873 8.691 ( 2.288 1.321 -0.402) 2.672 8.897 ( -0.351 -0.203 -0.277) 0.490 9.175 ( 1.395 0.805 4.218) 4.515 9.730 ( 6.778 3.913 0.079) 7.826 9.884 ( -5.343 -3.085 2.918) 6.825 9.942 ( 3.581 2.068 -2.979) 5.097 10.167 ( -4.127 -2.383 -1.613) 5.031 10.177 ( -2.541 -1.467 -2.771) 4.036 10.294 ( -1.597 -0.922 3.275) 3.759 10.927 ( 0.984 0.568 -0.613) 1.291 10.983 ( -2.498 -1.442 0.383) 2.910 11.182 ( 0.943 0.545 -0.809) 1.357 11.238 ( -0.426 -0.246 0.054) 0.495 11.462 ( -3.168 -1.829 -0.365) 3.676 11.597 ( -0.160 -0.092 0.252) 0.313 11.613 ( 1.283 0.741 1.686) 2.244 12.079 ( 1.443 0.833 -1.909) 2.534 12.431 ( -0.085 -0.049 1.686) 1.689 12.746 ( 0.680 0.392 -0.628) 1.005 13.185 ( 1.676 0.968 -0.238) 1.950 13.295 ( 2.405 1.388 0.335) 2.797 14.423 ( -2.976 -1.718 -0.301) 3.450 14.495 ( -2.688 -1.552 0.109) 3.106 14.924 ( -2.306 -1.331 1.005) 2.846 15.075 ( -1.321 -0.763 -1.135) 1.901 16.414 ( 9.568 5.524 -0.307) 11.052 16.480 ( 10.319 5.958 -0.375) 11.921 16.723 ( -10.777 -6.222 -1.424) 12.526 16.811 ( -9.375 -5.413 3.088) 11.258 17.434 ( -2.631 -1.519 -1.116) 3.236 17.457 ( 0.189 0.109 0.554) 0.596 18.556 ( 8.810 5.086 -0.557) 10.188 18.849 ( 10.790 6.230 0.025) 12.459 18.949 ( -6.027 -3.479 0.463) 6.974 19.298 ( -4.861 -2.806 -0.295) 5.621 19.769 ( 1.867 1.078 0.590) 2.236 19.802 ( 2.048 1.182 -0.458) 2.409 21.784 ( 13.330 7.696 0.100) 15.393 21.849 ( 0.904 0.522 0.354) 1.102 22.229 ( -12.730 -7.350 -0.786) 14.720 22.480 ( 8.483 4.897 -0.088) 9.795 22.630 ( -0.282 -0.163 0.402) 0.517 22.700 ( -9.881 -5.705 0.047) 11.410 ======================= Grid point 12 (7/58) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 9.644 16.703 0.000) 19.287 1.164 ( 15.701 27.194 0.000) 31.401 1.818 ( 2.177 3.770 0.000) 4.354 1.830 ( 3.848 6.665 0.000) 7.697 2.237 ( 24.318 42.120 0.000) 48.636 2.246 ( 4.049 7.013 0.000) 8.097 2.433 ( 6.009 10.407 0.000) 12.017 2.460 ( -5.183 -8.978 0.000) 10.366 2.765 ( 5.081 8.800 0.000) 10.161 2.853 ( 5.576 9.659 0.000) 11.153 3.196 ( 4.379 7.584 0.000) 8.757 3.346 ( -4.639 -8.034 0.000) 9.277 3.448 ( -1.928 -3.339 0.000) 3.856 3.812 ( -1.021 -1.768 0.000) 2.042 3.961 ( 2.188 3.790 0.000) 4.376 3.975 ( 2.568 4.447 0.000) 5.135 3.992 ( -2.355 -4.079 0.000) 4.710 4.213 ( -0.220 -0.382 0.000) 0.441 4.303 ( 0.351 0.608 0.000) 0.702 4.343 ( 2.164 3.748 0.000) 4.328 4.417 ( -5.019 -8.693 0.000) 10.038 4.548 ( 1.933 3.348 0.000) 3.866 4.608 ( 2.041 3.535 0.000) 4.081 5.020 ( 3.798 6.579 0.000) 7.596 5.144 ( -1.536 -2.661 0.000) 3.073 5.304 ( -3.244 -5.619 0.000) 6.489 5.559 ( 4.215 7.300 0.000) 8.429 5.562 ( -4.616 -7.995 0.000) 9.232 5.705 ( 1.259 2.181 0.000) 2.518 5.785 ( -0.804 -1.392 0.000) 1.608 6.142 ( -1.630 -2.823 0.000) 3.260 6.192 ( -1.050 -1.818 0.000) 2.100 6.379 ( -6.068 -10.511 0.000) 12.137 6.458 ( -6.642 -11.504 0.000) 13.284 6.462 ( 1.761 3.050 0.000) 3.521 6.853 ( 1.907 3.303 0.000) 3.814 6.950 ( 3.125 5.413 0.000) 6.250 7.135 ( 0.612 1.060 0.000) 1.223 7.152 ( -1.869 -3.238 0.000) 3.739 7.291 ( 0.747 1.294 0.000) 1.494 7.409 ( 1.622 2.809 0.000) 3.244 7.737 ( 6.336 10.973 0.000) 12.671 7.811 ( 9.096 15.755 0.000) 18.192 8.351 ( 0.148 0.257 0.000) 0.296 8.460 ( -16.393 -28.394 0.000) 32.787 8.543 ( 2.114 3.662 0.000) 4.229 8.787 ( 2.050 3.550 0.000) 4.099 8.865 ( 5.744 9.948 0.000) 11.487 9.313 ( -13.180 -22.829 0.000) 26.361 9.619 ( -12.516 -21.678 0.000) 25.032 9.788 ( -4.840 -8.383 0.000) 9.680 10.037 ( -4.749 -8.226 0.000) 9.498 10.147 ( 0.269 0.466 0.000) 0.538 10.386 ( -0.115 -0.200 0.000) 0.231 10.486 ( 1.888 3.269 0.000) 3.775 10.599 ( -3.061 -5.302 0.000) 6.122 10.748 ( 1.162 2.013 0.000) 2.324 10.820 ( 2.740 4.746 0.000) 5.480 11.222 ( -1.127 -1.952 0.000) 2.254 11.344 ( 2.504 4.337 0.000) 5.008 11.651 ( -2.977 -5.157 0.000) 5.954 11.733 ( -2.169 -3.757 0.000) 4.338 11.965 ( 6.050 10.479 0.000) 12.100 12.146 ( 7.014 12.148 0.000) 14.027 12.389 ( -3.443 -5.963 0.000) 6.885 12.500 ( -9.048 -15.672 0.000) 18.096 12.900 ( 1.942 3.363 0.000) 3.883 13.014 ( 2.464 4.268 0.000) 4.929 13.632 ( 17.499 30.309 0.000) 34.998 14.127 ( 7.468 12.935 0.000) 14.936 15.845 ( -14.277 -24.728 0.000) 28.553 16.073 ( -17.148 -29.701 0.000) 34.296 16.621 ( -5.536 -9.588 0.000) 11.072 16.650 ( -4.757 -8.239 0.000) 9.514 16.941 ( 2.254 3.904 0.000) 4.508 17.106 ( 2.393 4.145 0.000) 4.786 17.471 ( 3.022 5.235 0.000) 6.045 17.621 ( 4.377 7.582 0.000) 8.755 17.777 ( -5.370 -9.301 0.000) 10.740 17.967 ( -2.062 -3.572 0.000) 4.125 19.070 ( 0.051 0.089 0.000) 0.103 19.213 ( 2.453 4.249 0.000) 4.907 19.365 ( 7.368 12.762 0.000) 14.736 19.408 ( 7.744 13.413 0.000) 15.488 20.121 ( 18.684 32.362 0.000) 37.368 21.601 ( 2.480 4.296 0.000) 4.960 22.218 ( -1.407 -2.437 0.000) 2.814 22.796 ( -2.259 -3.913 0.000) 4.518 23.158 ( -4.361 -7.554 0.000) 8.722 23.294 ( -2.437 -4.221 0.000) 4.874 ======================= Grid point 13 (8/58) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 16.055 11.290 -3.125) 19.875 1.676 ( 12.376 21.510 -4.152) 25.161 1.829 ( -2.083 2.431 7.618) 8.264 1.974 ( 0.874 5.660 1.114) 5.835 2.223 ( -0.677 -8.589 -1.405) 8.729 2.376 ( -6.101 0.584 4.987) 7.902 2.506 ( 9.693 0.372 -11.446) 15.004 2.642 ( 2.909 2.375 -2.572) 4.552 3.042 ( -0.523 3.238 5.941) 6.786 3.269 ( 3.988 4.739 5.037) 7.983 3.336 ( 19.525 20.745 5.596) 29.032 3.349 ( 3.261 -0.487 -4.095) 5.257 3.475 ( 3.720 7.913 -1.858) 8.939 3.797 ( 0.700 -0.362 1.230) 1.461 3.897 ( 4.185 5.538 2.961) 7.547 3.990 ( 0.921 -6.158 -0.821) 6.281 4.066 ( 0.481 -2.055 -3.639) 4.206 4.191 ( -1.626 1.534 -5.842) 6.255 4.219 ( -7.874 -2.682 -1.150) 8.398 4.364 ( 4.393 3.448 -1.076) 5.688 4.474 ( 8.159 4.399 -4.723) 10.404 4.674 ( 7.587 6.448 11.551) 15.250 4.766 ( 6.738 7.894 -3.670) 11.008 4.870 ( -14.167 -9.824 1.251) 17.285 4.981 ( -5.800 -11.798 0.207) 13.148 5.311 ( 0.562 -5.544 -1.585) 5.793 5.476 ( 1.770 4.020 0.725) 4.452 5.639 ( -5.685 6.159 3.866) 9.230 5.721 ( 0.028 -0.224 3.891) 3.897 5.836 ( 4.443 4.922 -6.766) 9.473 6.040 ( -8.824 -0.999 2.471) 9.218 6.180 ( 2.711 -5.677 -3.681) 7.289 6.230 ( 1.682 -5.185 -0.104) 5.452 6.269 ( -0.877 -5.378 0.413) 5.464 6.579 ( 2.169 6.829 -1.896) 7.412 6.880 ( -1.016 -0.866 -0.441) 1.406 6.950 ( -4.543 -0.368 6.624) 8.041 7.076 ( -2.906 -2.066 -9.702) 10.336 7.268 ( 6.230 5.491 3.159) 8.885 7.304 ( 2.398 2.051 9.035) 9.570 7.475 ( 3.674 -1.449 -5.309) 6.617 7.872 ( -5.389 -5.875 2.223) 8.276 7.996 ( -5.850 -1.744 1.335) 6.248 8.127 ( 9.649 11.253 -7.161) 16.462 8.373 ( 1.280 1.374 -0.125) 1.882 8.628 ( 3.346 2.455 2.627) 4.911 8.832 ( -10.902 -19.214 0.434) 22.096 8.901 ( 3.527 -0.042 3.724) 5.129 9.116 ( 5.170 9.504 -0.749) 10.845 9.155 ( -13.861 -14.403 -0.274) 19.991 9.502 ( -18.675 0.754 -4.631) 19.256 9.955 ( 5.341 -13.385 4.346) 15.052 10.126 ( -1.218 -5.013 -1.010) 5.257 10.364 ( -2.330 0.717 -3.006) 3.870 10.423 ( -6.015 -6.153 -1.613) 8.755 10.549 ( -2.818 5.191 3.022) 6.635 10.831 ( 2.899 4.542 1.081) 5.496 10.927 ( 3.587 5.997 -0.912) 7.047 11.195 ( 1.385 -4.219 -1.317) 4.632 11.392 ( 2.492 -1.981 -1.051) 3.352 11.497 ( -9.947 -8.476 2.620) 13.328 11.581 ( -4.070 1.759 0.482) 4.460 12.128 ( -11.537 -8.765 1.626) 14.580 12.167 ( 5.734 1.639 -3.837) 7.092 12.257 ( -4.767 -5.164 1.587) 7.205 12.461 ( 10.182 7.169 -0.005) 12.453 12.996 ( 4.670 2.869 0.488) 5.503 13.084 ( 1.192 4.134 -0.468) 4.328 14.201 ( 16.858 16.972 -0.184) 23.922 14.436 ( 9.335 14.808 -0.184) 17.506 15.307 ( -14.439 -24.777 1.168) 28.701 15.554 ( -17.861 -13.725 -0.884) 22.543 16.401 ( -6.823 -10.282 -0.604) 12.355 16.465 ( -6.629 -6.532 0.622) 9.327 17.023 ( 2.181 2.848 -1.685) 3.964 17.119 ( -3.966 4.396 1.872) 6.209 17.569 ( -2.992 -8.224 0.772) 8.785 17.653 ( 6.730 -0.868 -0.523) 6.806 17.851 ( 13.400 6.646 -0.036) 14.958 17.892 ( 0.094 -3.157 -0.461) 3.192 19.079 ( 2.000 -3.296 0.308) 3.868 19.310 ( 4.250 1.675 -0.554) 4.602 19.617 ( 1.691 20.751 0.623) 20.829 19.689 ( 3.587 20.676 -0.376) 20.988 20.717 ( 20.350 16.459 -0.295) 26.174 21.700 ( 3.294 4.496 0.611) 5.607 22.177 ( 1.187 -4.307 -0.141) 4.470 22.723 ( -2.637 -1.508 -0.272) 3.050 22.958 ( -8.286 -9.803 0.183) 12.838 23.178 ( -4.946 -6.023 0.011) 7.793 ======================= Grid point 14 (9/58) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 14.092 7.586 -4.139) 16.530 1.816 ( 0.499 0.404 2.152) 2.246 1.830 ( -3.961 2.727 1.448) 5.022 2.061 ( -3.213 3.240 -0.229) 4.569 2.269 ( -1.507 4.952 0.959) 5.265 2.305 ( 7.835 10.769 0.284) 13.321 2.632 ( 2.716 0.709 -3.197) 4.255 2.763 ( 10.228 -7.107 -6.444) 14.023 3.005 ( 2.290 0.331 -0.860) 2.469 3.358 ( -3.635 -2.249 4.441) 6.163 3.383 ( -4.727 -3.479 3.670) 6.922 3.394 ( -1.725 3.345 6.748) 7.726 3.575 ( 0.884 2.343 -5.137) 5.715 3.831 ( 3.672 -3.413 3.745) 6.257 3.904 ( -7.010 -4.085 4.626) 9.340 3.936 ( -1.542 -5.771 -4.146) 7.271 4.032 ( -7.681 -5.270 1.451) 9.427 4.212 ( 4.184 -2.411 -7.949) 9.301 4.255 ( 0.311 0.250 -0.226) 0.459 4.465 ( 3.805 1.254 -1.566) 4.301 4.627 ( 0.643 0.258 6.065) 6.104 4.687 ( 1.241 2.120 -2.463) 3.479 4.869 ( 10.366 6.264 -4.369) 12.875 4.959 ( 9.404 8.530 -2.229) 12.891 5.020 ( 17.622 12.363 7.199) 22.698 5.142 ( -6.599 -8.899 -6.128) 12.661 5.522 ( -3.285 -2.211 0.886) 4.058 5.614 ( -1.353 5.375 7.258) 9.132 5.703 ( 0.356 -3.039 2.437) 3.912 5.909 ( -0.278 8.007 -0.427) 8.023 6.002 ( -0.106 2.613 -0.376) 2.642 6.099 ( -1.896 -4.310 -4.009) 6.184 6.232 ( 0.417 -1.624 -5.811) 6.048 6.372 ( 9.591 1.878 5.164) 11.054 6.640 ( -1.808 4.360 -1.246) 4.882 6.798 ( -5.915 -1.004 -6.524) 8.863 6.865 ( -1.320 -3.786 9.010) 9.862 7.010 ( -2.165 -2.289 -9.392) 9.906 7.334 ( 0.398 4.616 7.407) 8.737 7.439 ( -0.755 -6.167 3.948) 7.361 7.518 ( 10.313 1.288 0.902) 10.432 7.607 ( -11.149 -0.581 -1.243) 11.233 8.041 ( -0.427 0.878 0.272) 1.014 8.257 ( -2.801 -4.485 -7.548) 9.216 8.446 ( 0.099 -7.329 2.509) 7.747 8.510 ( 0.862 1.194 -4.512) 4.746 8.607 ( -7.216 -3.749 2.387) 8.475 8.830 ( 1.683 -3.097 2.955) 4.600 9.050 ( -2.650 4.271 1.309) 5.194 9.121 ( -10.789 2.669 1.453) 11.209 9.450 ( 6.564 10.863 -1.934) 12.839 9.909 ( 2.360 -9.532 2.941) 10.251 10.015 ( -2.947 -5.986 -0.680) 6.707 10.275 ( -2.970 -4.954 -1.604) 5.995 10.338 ( -3.608 1.729 -3.745) 5.480 10.493 ( -9.341 5.028 2.404) 10.877 10.891 ( 0.155 2.415 0.402) 2.453 11.060 ( 4.023 2.973 -0.388) 5.018 11.161 ( 1.543 -6.797 0.439) 6.984 11.271 ( -6.845 -2.695 -1.057) 7.431 11.482 ( 6.900 0.765 -1.753) 7.160 11.544 ( -2.464 3.319 2.339) 4.750 11.806 ( -12.219 -7.073 1.258) 14.174 12.122 ( -4.650 -3.062 -0.547) 5.594 12.312 ( 6.887 -1.575 -0.127) 7.065 12.648 ( 5.399 2.889 -0.312) 6.131 13.100 ( 3.339 3.217 0.223) 4.642 13.165 ( 3.358 4.683 0.037) 5.762 14.526 ( 7.852 3.040 2.097) 8.677 14.577 ( -5.288 -1.322 -3.813) 6.653 14.966 ( 0.221 -13.810 3.892) 14.349 15.177 ( -11.761 -7.656 -2.463) 14.248 16.239 ( -1.219 -4.205 -1.568) 4.651 16.343 ( -2.637 1.683 1.604) 3.516 17.042 ( -3.194 1.754 -1.657) 4.003 17.076 ( -5.783 1.777 1.577) 6.252 17.433 ( -0.953 -7.147 1.858) 7.446 17.609 ( -5.260 -7.033 -0.803) 8.819 18.045 ( 15.142 0.537 -1.376) 15.214 18.208 ( 19.359 5.015 0.306) 20.000 19.053 ( 0.133 -6.134 0.579) 6.163 19.369 ( 1.770 -1.517 -0.731) 2.443 19.832 ( -3.286 23.844 0.968) 24.088 19.931 ( -3.251 25.856 -0.701) 26.069 21.176 ( 18.950 7.285 -0.351) 20.305 21.797 ( 2.444 4.366 0.906) 5.085 22.193 ( 6.256 -4.704 -0.229) 7.831 22.665 ( -7.023 -5.399 -7.308) 11.484 22.689 ( -6.166 -5.795 7.066) 11.024 23.002 ( -7.037 -7.805 0.018) 10.509 ======================= Grid point 15 (10/58) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 6.145 5.495 -1.664) 8.409 1.794 ( -1.973 4.333 -2.081) 5.196 1.902 ( 1.445 0.010 2.144) 2.585 2.028 ( 2.441 5.117 0.571) 5.698 2.258 ( -2.255 1.482 2.444) 3.641 2.572 ( 2.641 5.047 -3.203) 6.535 2.720 ( 3.286 3.618 -7.037) 8.568 2.757 ( 5.107 -2.365 -0.869) 5.694 3.109 ( -2.383 -6.160 2.591) 7.095 3.187 ( -2.012 -5.515 6.012) 8.403 3.232 ( -5.827 -2.527 2.354) 6.773 3.372 ( -0.784 1.222 0.559) 1.556 3.614 ( 2.441 -0.983 -1.035) 2.828 3.733 ( -3.641 -9.333 -5.088) 11.237 3.773 ( -4.714 0.811 -0.221) 4.789 3.848 ( -3.319 -5.484 2.899) 7.036 3.928 ( -2.693 2.461 5.333) 6.461 4.083 ( -8.673 -0.572 -1.266) 8.783 4.265 ( 9.202 -10.945 -6.167) 15.573 4.509 ( -0.409 -6.459 -2.275) 6.860 4.687 ( -1.007 -2.719 6.700) 7.301 4.711 ( 8.294 1.845 6.799) 10.882 4.919 ( 0.647 -4.275 -6.989) 8.218 5.092 ( 3.359 7.118 -2.689) 8.317 5.296 ( -3.072 -2.650 3.629) 5.444 5.380 ( 12.169 7.209 -6.237) 15.458 5.572 ( 13.203 8.490 2.951) 15.972 5.629 ( -1.232 3.388 3.146) 4.785 5.805 ( 11.433 5.252 -2.689) 12.866 5.918 ( -5.776 -5.873 2.097) 8.500 5.980 ( -1.197 5.881 -4.132) 7.287 6.084 ( -0.836 3.258 0.349) 3.381 6.191 ( -2.746 -1.744 0.112) 3.255 6.541 ( 2.326 5.362 -0.480) 5.865 6.646 ( 2.083 0.411 8.840) 9.091 6.710 ( 0.004 -4.102 -1.620) 4.410 6.854 ( 1.675 0.311 0.792) 1.878 6.950 ( -2.914 -0.976 -9.973) 10.436 7.270 ( -6.245 -4.615 2.958) 8.309 7.409 ( -1.077 3.257 2.041) 3.992 7.456 ( -7.328 3.524 -1.249) 8.226 7.702 ( 8.150 -1.175 3.178) 8.826 7.909 ( -8.040 -6.302 0.665) 10.237 8.064 ( -4.448 -10.937 -3.276) 12.253 8.364 ( -0.494 -1.215 -0.128) 1.318 8.550 ( -0.708 6.156 -0.245) 6.201 8.663 ( 4.062 4.895 -2.980) 7.024 8.832 ( -9.042 3.602 -0.855) 9.770 8.896 ( -2.266 0.439 0.454) 2.353 9.151 ( 2.064 1.132 5.420) 5.909 9.668 ( 6.283 6.977 0.319) 9.394 9.853 ( 0.158 -5.258 1.099) 5.374 9.965 ( 0.245 1.843 -1.634) 2.475 10.197 ( -1.706 -3.882 -1.472) 4.489 10.271 ( -6.042 2.797 -4.330) 7.942 10.357 ( -7.921 0.098 4.722) 9.222 10.885 ( -0.682 -2.519 0.661) 2.692 11.077 ( -0.458 1.492 -0.139) 1.566 11.157 ( 1.033 -0.559 -1.870) 2.208 11.216 ( 0.290 -0.661 -0.538) 0.900 11.493 ( -3.676 -7.852 -0.307) 8.675 11.565 ( -0.711 0.807 2.813) 3.012 11.674 ( -0.427 8.406 -0.652) 8.442 12.059 ( 0.265 -1.062 -1.084) 1.540 12.373 ( 3.632 -4.014 1.454) 5.605 12.720 ( 2.154 -0.802 -0.745) 2.416 13.187 ( 1.838 4.748 -0.381) 5.105 13.277 ( 3.170 4.638 0.586) 5.649 14.383 ( -4.574 -10.056 -1.675) 11.174 14.548 ( -1.832 -4.127 1.740) 4.839 14.887 ( 1.792 -10.985 1.830) 11.280 14.993 ( -0.870 -8.889 -2.254) 9.211 16.305 ( 7.590 4.485 -2.120) 9.067 16.438 ( 5.296 10.874 2.028) 12.264 16.898 ( -12.303 -1.385 -2.854) 12.705 16.962 ( -9.029 0.273 4.068) 9.907 17.399 ( 2.989 -5.296 1.037) 6.169 17.448 ( -3.472 -6.272 -1.502) 7.324 18.318 ( 15.227 -1.880 -1.123) 15.384 18.580 ( 18.162 0.656 0.320) 18.176 18.960 ( -2.515 -7.133 0.680) 7.594 19.335 ( -2.078 -3.887 -0.556) 4.443 19.973 ( -7.979 23.361 0.724) 24.697 20.088 ( -9.995 27.783 -0.572) 29.532 21.547 ( 17.476 2.829 -0.043) 17.704 21.872 ( 1.344 4.499 0.542) 4.727 22.306 ( 11.076 -3.322 -0.462) 11.573 22.348 ( -12.056 -12.224 -0.553) 17.178 22.645 ( -1.897 -1.645 0.526) 2.565 22.790 ( -7.519 -6.716 0.052) 10.082 ======================= Grid point 16 (11/58) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -0.984 1.703 0.000) 1.967 1.850 ( -0.488 0.845 0.000) 0.975 1.874 ( -2.849 4.935 -0.000) 5.698 2.082 ( -3.268 5.660 0.000) 6.536 2.285 ( 0.901 -1.560 0.000) 1.802 2.526 ( 1.290 -2.234 -0.000) 2.580 2.788 ( -0.017 0.030 -0.000) 0.034 2.870 ( 2.947 -5.105 -0.000) 5.894 2.984 ( 0.365 -0.633 0.000) 0.731 3.105 ( -3.572 6.187 -0.000) 7.144 3.148 ( -0.325 0.563 -0.000) 0.650 3.472 ( 6.472 -11.209 0.000) 12.943 3.550 ( 2.425 -4.201 -0.000) 4.851 3.676 ( 0.023 -0.040 0.000) 0.046 3.757 ( -3.424 5.931 -0.000) 6.849 3.802 ( -0.585 1.013 0.000) 1.170 3.864 ( 1.192 -2.065 0.000) 2.384 4.030 ( -3.712 6.429 -0.000) 7.424 4.288 ( 9.091 -15.746 0.000) 18.182 4.474 ( 3.024 -5.238 -0.000) 6.049 4.613 ( 0.289 -0.500 0.000) 0.577 4.789 ( 3.706 -6.419 -0.000) 7.412 5.024 ( -1.535 2.659 0.000) 3.071 5.114 ( 2.001 -3.466 0.000) 4.003 5.187 ( -1.615 2.798 0.000) 3.231 5.609 ( -3.165 5.482 -0.000) 6.330 5.666 ( 0.880 -1.523 0.000) 1.759 5.704 ( 2.542 -4.403 -0.000) 5.084 5.751 ( -0.445 0.770 0.000) 0.889 5.910 ( 1.103 -1.910 0.000) 2.205 6.090 ( -2.939 5.091 0.000) 5.878 6.128 ( 1.300 -2.252 0.000) 2.600 6.134 ( -2.665 4.616 -0.000) 5.330 6.578 ( -4.233 7.332 -0.000) 8.467 6.613 ( 5.164 -8.945 -0.000) 10.329 6.802 ( -0.463 0.803 0.000) 0.927 6.821 ( 0.145 -0.252 -0.000) 0.291 6.929 ( -0.623 1.078 -0.000) 1.245 7.164 ( -0.111 0.192 -0.000) 0.222 7.387 ( -1.800 3.117 0.000) 3.599 7.443 ( -2.953 5.115 0.000) 5.906 7.718 ( 0.933 -1.616 -0.000) 1.866 7.830 ( 1.519 -2.632 -0.000) 3.039 7.963 ( 3.018 -5.227 0.000) 6.036 8.357 ( 0.106 -0.184 0.000) 0.213 8.598 ( -2.555 4.426 -0.000) 5.111 8.725 ( -5.088 8.813 0.000) 10.177 8.737 ( -1.673 2.897 -0.000) 3.346 8.893 ( 0.061 -0.105 -0.000) 0.121 9.174 ( 0.536 -0.928 -0.000) 1.072 9.774 ( 2.274 -3.939 -0.000) 4.548 9.821 ( -2.059 3.567 0.000) 4.119 10.019 ( -1.456 2.522 0.000) 2.912 10.116 ( -0.107 0.185 0.000) 0.214 10.246 ( -3.363 5.825 0.000) 6.726 10.265 ( 0.737 -1.276 -0.000) 1.474 10.857 ( 1.911 -3.309 0.000) 3.821 11.088 ( -3.285 5.689 -0.000) 6.570 11.184 ( 0.584 -1.011 -0.000) 1.167 11.223 ( -0.410 0.711 -0.000) 0.821 11.362 ( 5.344 -9.255 -0.000) 10.687 11.581 ( -1.843 3.193 0.000) 3.687 11.723 ( -4.144 7.178 0.000) 8.289 12.072 ( 1.125 -1.949 -0.000) 2.251 12.379 ( 2.563 -4.440 0.000) 5.127 12.731 ( 1.267 -2.194 -0.000) 2.534 13.234 ( -2.233 3.868 -0.000) 4.467 13.335 ( -1.505 2.607 -0.000) 3.011 14.286 ( 4.231 -7.328 0.000) 8.461 14.495 ( 2.168 -3.755 0.000) 4.336 14.834 ( 4.345 -7.525 -0.000) 8.689 14.940 ( 5.653 -9.791 -0.000) 11.305 16.470 ( 0.019 -0.034 0.000) 0.039 16.663 ( -3.894 6.745 -0.000) 7.788 16.675 ( -2.577 4.464 0.000) 5.155 16.804 ( -3.112 5.390 -0.000) 6.223 17.380 ( 2.275 -3.941 -0.000) 4.551 17.408 ( 2.650 -4.590 0.000) 5.300 18.468 ( 5.563 -9.636 -0.000) 11.127 18.770 ( 5.232 -9.061 0.000) 10.463 18.878 ( 1.722 -2.982 0.000) 3.443 19.273 ( 0.637 -1.104 -0.000) 1.275 20.022 ( -12.310 21.322 0.000) 24.620 20.141 ( -15.333 26.557 0.000) 30.665 21.758 ( 3.073 -5.323 -0.000) 6.147 21.974 ( -2.713 4.699 -0.000) 5.426 22.067 ( 3.747 -6.490 0.000) 7.493 22.492 ( 3.230 -5.594 -0.000) 6.459 22.511 ( 4.574 -7.922 0.000) 9.148 22.696 ( -2.031 3.517 -0.000) 4.061 ======================= Grid point 25 (12/58) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 8.490 14.705 0.000) 16.980 1.810 ( -0.821 -1.422 0.000) 1.642 1.913 ( -0.083 -0.144 0.000) 0.166 2.109 ( 0.873 1.512 0.000) 1.746 2.276 ( 9.878 17.110 0.000) 19.757 2.395 ( 0.183 0.318 0.000) 0.367 2.503 ( 1.608 2.786 0.000) 3.217 2.650 ( -0.084 -0.145 0.000) 0.167 2.989 ( -2.511 -4.349 0.000) 5.021 3.361 ( 0.986 1.708 0.000) 1.973 3.417 ( -3.663 -6.344 0.000) 7.325 3.431 ( 4.128 7.151 0.000) 8.257 3.626 ( 2.369 4.103 0.000) 4.738 3.699 ( -5.658 -9.800 0.000) 11.316 3.917 ( 1.402 2.428 0.000) 2.803 3.967 ( -3.594 -6.225 0.000) 7.188 4.096 ( -4.919 -8.520 0.000) 9.838 4.171 ( -4.346 -7.528 0.000) 8.693 4.200 ( 7.508 13.005 0.000) 15.016 4.455 ( 4.855 8.408 0.000) 9.709 4.613 ( -7.682 -13.305 0.000) 15.363 4.678 ( -3.578 -6.198 0.000) 7.157 4.866 ( 7.084 12.269 0.000) 14.167 4.869 ( 13.239 22.930 0.000) 26.477 4.927 ( 4.830 8.366 0.000) 9.660 5.160 ( -4.416 -7.649 0.000) 8.832 5.538 ( -2.346 -4.063 0.000) 4.691 5.655 ( 0.707 1.225 0.000) 1.415 5.690 ( -1.860 -3.221 0.000) 3.720 6.015 ( 2.779 4.813 0.000) 5.558 6.026 ( -0.886 -1.535 0.000) 1.772 6.043 ( -0.139 -0.241 0.000) 0.278 6.223 ( 2.058 3.564 0.000) 4.116 6.271 ( 3.216 5.571 0.000) 6.433 6.696 ( 2.195 3.802 0.000) 4.390 6.776 ( -4.810 -8.331 0.000) 9.620 6.913 ( -2.028 -3.513 0.000) 4.056 7.058 ( -0.711 -1.231 0.000) 1.421 7.339 ( 2.000 3.465 0.000) 4.001 7.401 ( 3.541 6.133 0.000) 7.082 7.411 ( -2.215 -3.837 0.000) 4.430 7.718 ( -3.164 -5.481 0.000) 6.329 8.050 ( 0.592 1.026 0.000) 1.185 8.261 ( -3.038 -5.262 0.000) 6.076 8.395 ( 0.366 0.634 0.000) 0.733 8.517 ( -1.545 -2.675 0.000) 3.089 8.647 ( -1.635 -2.833 0.000) 3.271 8.789 ( -2.721 -4.712 0.000) 5.441 9.069 ( 2.212 3.831 0.000) 4.424 9.288 ( -0.289 -0.501 0.000) 0.578 9.508 ( 2.234 3.869 0.000) 4.468 9.747 ( -2.418 -4.188 0.000) 4.836 10.030 ( -2.493 -4.317 0.000) 4.985 10.276 ( -3.844 -6.658 0.000) 7.688 10.390 ( 0.756 1.309 0.000) 1.512 10.624 ( -0.088 -0.153 0.000) 0.176 10.908 ( 1.063 1.840 0.000) 2.125 11.038 ( 2.599 4.502 0.000) 5.198 11.093 ( -3.286 -5.691 0.000) 6.571 11.344 ( -2.527 -4.377 0.000) 5.054 11.384 ( 1.146 1.984 0.000) 2.291 11.600 ( -0.165 -0.286 0.000) 0.331 11.895 ( -6.398 -11.082 0.000) 12.796 12.156 ( -2.760 -4.780 0.000) 5.519 12.222 ( 1.614 2.795 0.000) 3.227 12.600 ( 3.067 5.312 0.000) 6.133 13.081 ( 2.989 5.177 0.000) 5.977 13.166 ( 2.558 4.431 0.000) 5.116 14.455 ( 4.548 7.877 0.000) 9.096 14.663 ( 2.148 3.720 0.000) 4.296 14.841 ( -11.467 -19.861 0.000) 22.934 15.260 ( -8.445 -14.628 0.000) 16.891 16.225 ( -3.009 -5.211 0.000) 6.017 16.384 ( -0.125 -0.217 0.000) 0.250 17.080 ( 1.242 2.151 0.000) 2.484 17.149 ( -0.591 -1.024 0.000) 1.182 17.396 ( -4.772 -8.265 0.000) 9.543 17.607 ( -3.254 -5.636 0.000) 6.508 17.900 ( 3.604 6.242 0.000) 7.208 18.047 ( 7.383 12.787 0.000) 14.765 19.020 ( -1.879 -3.254 0.000) 3.758 19.342 ( 0.418 0.724 0.000) 0.836 20.029 ( 10.949 18.964 0.000) 21.898 20.126 ( 12.163 21.067 0.000) 24.326 21.011 ( 7.545 13.069 0.000) 15.090 21.799 ( 2.858 4.950 0.000) 5.716 22.092 ( -1.782 -3.087 0.000) 3.565 22.699 ( -0.633 -1.096 0.000) 1.265 22.716 ( -8.016 -13.885 0.000) 16.033 23.023 ( -5.294 -9.170 0.000) 10.589 ======================= Grid point 26 (13/58) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 7.971 9.510 -1.266) 12.473 1.843 ( 4.227 3.407 0.883) 5.501 1.910 ( -2.305 6.290 0.203) 6.702 2.045 ( -1.820 -2.967 -0.898) 3.594 2.377 ( -6.604 4.787 5.122) 9.632 2.563 ( 5.161 -3.346 -3.680) 7.167 2.642 ( 5.447 8.372 0.508) 10.001 2.689 ( 6.311 6.148 -5.493) 10.383 2.971 ( 5.512 -2.064 -3.199) 6.699 3.216 ( -7.874 -8.541 7.944) 14.073 3.388 ( -8.832 -0.559 1.514) 8.978 3.422 ( -4.098 -1.619 0.887) 4.494 3.546 ( 0.215 -5.301 0.775) 5.361 3.659 ( 2.918 -6.607 -5.580) 9.127 3.827 ( -3.967 -11.280 3.597) 12.487 3.861 ( -2.954 -0.167 1.214) 3.198 3.983 ( -2.205 -3.266 0.946) 4.052 4.079 ( 0.752 -1.512 -4.827) 5.114 4.203 ( -7.743 -4.587 0.004) 9.000 4.396 ( -0.205 -13.557 0.631) 13.574 4.612 ( 2.227 -1.087 1.057) 2.694 4.655 ( 6.564 7.667 2.367) 10.367 4.903 ( -5.839 -8.577 -2.487) 10.670 5.102 ( 5.474 9.349 -0.607) 10.851 5.240 ( 11.123 12.928 -3.056) 17.326 5.361 ( 0.719 5.413 0.903) 5.535 5.461 ( 4.456 0.527 1.601) 4.764 5.659 ( 0.482 1.381 -0.049) 1.464 5.684 ( 8.235 6.827 -0.114) 10.698 5.949 ( -2.236 -1.915 1.095) 3.141 6.041 ( -1.594 -0.174 -1.864) 2.459 6.117 ( 0.541 3.124 0.444) 3.201 6.286 ( -4.214 7.013 -2.827) 8.656 6.460 ( 9.832 3.422 6.519) 12.284 6.595 ( -2.159 -7.321 2.863) 8.152 6.740 ( -0.234 0.539 -3.809) 3.854 6.846 ( -1.525 -1.030 -1.867) 2.621 7.003 ( -4.030 -0.219 -3.128) 5.106 7.324 ( -4.299 -2.102 1.192) 4.931 7.432 ( 3.218 3.072 5.769) 7.286 7.535 ( 6.947 0.692 -4.407) 8.256 7.611 ( -5.515 -0.690 1.528) 5.765 7.977 ( -5.716 -5.158 1.793) 7.906 8.026 ( -5.527 -12.633 -2.848) 14.080 8.385 ( -1.673 0.707 -0.145) 1.822 8.615 ( 0.391 4.538 -0.043) 4.555 8.631 ( 5.490 6.000 -2.256) 8.440 8.826 ( 3.333 2.010 2.669) 4.720 9.108 ( -10.133 -1.216 -3.233) 10.706 9.138 ( 0.032 0.469 3.151) 3.186 9.666 ( 2.603 8.924 1.631) 9.438 9.765 ( 6.182 -0.986 -0.112) 6.261 9.979 ( -0.558 0.678 -1.315) 1.581 10.171 ( -1.362 -4.380 -0.019) 4.587 10.400 ( -2.910 3.665 -2.858) 5.483 10.517 ( -9.186 -2.847 3.221) 10.142 10.904 ( -2.555 -1.039 -0.013) 2.759 10.988 ( 1.663 -7.033 1.632) 7.409 11.087 ( 2.243 -4.244 -2.304) 5.324 11.307 ( -3.117 5.637 0.197) 6.445 11.418 ( 1.105 -7.318 -1.686) 7.591 11.625 ( 0.130 5.833 1.531) 6.032 11.769 ( -0.750 4.416 -0.314) 4.490 12.065 ( -2.973 -2.557 1.038) 4.057 12.269 ( 2.982 -2.269 -0.490) 3.779 12.661 ( 1.996 -1.818 -0.205) 2.708 13.201 ( 3.657 7.085 0.035) 7.973 13.275 ( 3.548 6.489 0.038) 7.396 14.427 ( -11.146 -8.675 -1.008) 14.160 14.505 ( -2.932 -8.474 -0.721) 8.996 14.648 ( 3.559 -18.229 2.595) 18.754 15.000 ( -6.729 -9.268 -0.919) 11.490 16.243 ( 5.032 5.397 -1.307) 7.494 16.474 ( 3.985 10.152 1.441) 11.001 17.079 ( -5.414 1.658 -2.853) 6.341 17.084 ( -6.078 -0.915 2.062) 6.483 17.271 ( 2.105 -8.698 1.783) 9.126 17.440 ( -5.158 -9.555 -0.684) 10.879 18.103 ( 10.154 6.125 -0.961) 11.897 18.348 ( 12.781 9.631 0.368) 16.008 18.932 ( -2.622 -6.418 0.370) 6.942 19.318 ( -1.442 -4.086 -0.268) 4.341 20.349 ( -1.164 25.979 0.374) 26.008 20.500 ( 0.801 28.708 -0.343) 28.721 21.276 ( 14.019 3.302 -0.137) 14.403 21.886 ( 1.735 3.660 0.519) 4.083 22.082 ( 6.266 -5.535 -0.221) 8.364 22.407 ( -10.181 -14.682 -0.397) 17.871 22.655 ( -2.920 -4.701 0.244) 5.539 22.832 ( -5.198 -6.828 0.021) 8.582 ======================= Grid point 27 (14/58) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 2.683 5.967 1.872) 6.805 1.871 ( -2.828 2.082 -1.702) 3.902 1.960 ( 1.822 5.812 -0.629) 6.123 2.194 ( 6.185 12.620 -0.872) 14.081 2.266 ( -5.233 -0.558 1.168) 5.391 2.518 ( -2.540 -5.668 -1.411) 6.370 2.716 ( 0.158 -2.078 2.053) 2.925 2.845 ( 1.455 2.468 -5.906) 6.564 2.999 ( -5.108 -4.754 4.252) 8.172 3.099 ( 6.816 -2.693 -1.930) 7.579 3.221 ( -3.420 0.552 3.299) 4.784 3.327 ( -2.042 -2.731 0.409) 3.434 3.472 ( -0.480 -5.889 1.675) 6.142 3.648 ( 0.933 -5.691 -5.279) 7.818 3.759 ( 4.057 -1.429 5.625) 7.081 3.851 ( 0.455 -3.646 -1.328) 3.907 3.893 ( -4.241 -4.721 -0.460) 6.363 3.992 ( 1.157 -3.808 -2.087) 4.494 4.163 ( -2.914 6.475 0.364) 7.110 4.302 ( 5.080 -12.562 0.564) 13.562 4.625 ( -0.834 -4.370 -0.138) 4.450 4.655 ( -0.565 -6.167 2.526) 6.688 4.932 ( 9.953 4.671 -2.535) 11.283 5.180 ( -10.297 -5.061 0.901) 11.509 5.277 ( 0.825 9.929 3.359) 10.514 5.508 ( 9.147 -1.349 -7.454) 11.877 5.574 ( 8.467 -1.448 -0.570) 8.609 5.725 ( 0.188 7.383 0.606) 7.410 5.817 ( -5.216 -2.375 4.335) 7.186 5.907 ( -2.056 -0.152 -5.590) 5.958 6.081 ( 3.837 0.038 4.154) 5.655 6.181 ( -5.932 -1.702 2.031) 6.497 6.200 ( 4.239 11.251 -1.268) 12.090 6.492 ( -0.217 -6.555 1.165) 6.662 6.690 ( 2.211 7.130 -2.008) 7.730 6.753 ( 3.202 2.734 6.391) 7.653 6.839 ( 0.231 -1.388 -3.688) 3.948 6.922 ( -2.465 -3.872 -2.929) 5.445 7.229 ( -5.116 2.133 -0.235) 5.548 7.471 ( -2.635 3.729 0.165) 4.569 7.540 ( -2.470 2.972 0.357) 3.881 7.636 ( 5.085 -4.707 0.674) 6.961 7.841 ( -3.937 -0.407 2.318) 4.587 7.871 ( -0.626 -7.327 -2.224) 7.683 8.372 ( -1.153 1.423 -0.259) 1.850 8.682 ( -0.653 5.902 -1.253) 6.069 8.769 ( 3.107 4.989 -0.901) 5.946 8.870 ( -0.642 0.405 1.813) 1.966 8.942 ( -6.829 2.712 -0.379) 7.358 9.150 ( 0.661 -0.869 0.860) 1.390 9.743 ( -0.067 3.456 2.912) 4.520 9.884 ( 1.862 6.756 -2.808) 7.550 10.014 ( 2.498 0.660 -1.593) 3.035 10.140 ( -0.180 -0.347 -0.739) 0.836 10.307 ( -8.278 -1.953 4.401) 9.577 10.379 ( -4.435 4.704 -2.040) 6.779 10.820 ( -1.705 -3.307 1.060) 3.869 11.027 ( 6.788 -7.015 0.730) 9.789 11.080 ( 6.867 -7.278 -3.371) 10.559 11.247 ( -4.760 -8.100 1.609) 9.532 11.349 ( -4.765 8.900 -0.745) 10.123 11.689 ( -2.424 8.211 0.314) 8.567 11.876 ( -0.306 10.060 -0.469) 10.075 12.019 ( 0.113 -1.524 0.436) 1.589 12.277 ( 2.707 -5.250 0.487) 5.927 12.653 ( 2.473 -5.928 -0.356) 6.433 13.331 ( -0.180 9.775 -0.187) 9.779 13.396 ( 0.672 7.428 0.253) 7.462 14.190 ( -3.430 -8.715 -0.525) 9.381 14.333 ( 1.403 -16.376 0.285) 16.439 14.552 ( 8.173 -19.776 0.454) 21.403 14.850 ( -1.596 -5.199 -0.256) 5.444 16.451 ( 6.707 9.341 -1.603) 11.611 16.691 ( 6.052 12.775 2.268) 14.317 16.882 ( -11.730 -0.362 -1.688) 11.856 16.967 ( -9.833 0.099 1.589) 9.961 17.257 ( 4.218 -8.476 0.093) 9.468 17.307 ( 1.410 -7.505 -0.489) 7.652 18.315 ( 6.715 2.911 -0.647) 7.347 18.626 ( 7.867 4.981 0.263) 9.315 18.817 ( -1.029 -7.435 0.384) 7.516 19.227 ( -0.823 -7.166 -0.212) 7.216 20.506 ( -11.695 27.689 0.210) 30.058 20.709 ( -12.326 31.819 -0.223) 34.123 21.568 ( 15.537 -0.021 0.064) 15.537 21.908 ( 0.618 -6.389 0.072) 6.419 22.108 ( -8.091 -6.731 -0.251) 10.527 22.207 ( 14.518 -7.130 0.126) 16.175 22.464 ( -5.878 -13.121 -0.025) 14.377 22.757 ( -1.815 1.264 0.051) 2.212 ======================= Grid point 37 (15/58) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 4.356 7.545 0.000) 8.712 1.939 ( -2.303 -3.989 0.000) 4.606 1.955 ( 4.328 7.496 0.000) 8.655 2.167 ( 9.166 15.876 0.000) 18.332 2.414 ( -2.455 -4.253 0.000) 4.911 2.427 ( -1.814 -3.142 0.000) 3.629 2.742 ( 1.527 2.645 0.000) 3.055 2.851 ( 1.068 1.850 0.000) 2.136 2.991 ( 1.564 2.709 0.000) 3.128 3.032 ( -5.448 -9.436 0.000) 10.895 3.302 ( -3.031 -5.250 0.000) 6.062 3.363 ( -4.835 -8.374 0.000) 9.669 3.404 ( -2.873 -4.976 0.000) 5.746 3.515 ( -0.249 -0.432 0.000) 0.499 3.722 ( 0.187 0.324 0.000) 0.374 3.832 ( -4.456 -7.717 0.000) 8.911 3.889 ( -0.911 -1.578 0.000) 1.822 4.062 ( -5.024 -8.702 0.000) 10.048 4.127 ( 0.546 0.946 0.000) 1.093 4.242 ( 2.653 4.595 0.000) 5.306 4.561 ( -2.109 -3.653 0.000) 4.218 4.682 ( -6.915 -11.977 0.000) 13.830 4.858 ( 5.833 10.104 0.000) 11.667 5.318 ( -3.054 -5.289 0.000) 6.107 5.333 ( -2.972 -5.149 0.000) 5.945 5.335 ( 6.147 10.647 0.000) 12.294 5.474 ( 5.255 9.102 0.000) 10.510 5.760 ( 4.989 8.642 0.000) 9.979 5.851 ( -0.779 -1.350 0.000) 1.559 5.963 ( -3.553 -6.154 0.000) 7.106 6.006 ( 2.401 4.158 0.000) 4.801 6.212 ( 5.621 9.736 0.000) 11.242 6.253 ( -6.499 -11.257 0.000) 12.998 6.453 ( 1.619 2.805 0.000) 3.239 6.674 ( 4.589 7.948 0.000) 9.178 6.757 ( 0.604 1.046 0.000) 1.208 6.827 ( -0.220 -0.382 0.000) 0.441 6.929 ( -3.708 -6.422 0.000) 7.415 7.322 ( 0.647 1.121 0.000) 1.294 7.496 ( 1.818 3.149 0.000) 3.636 7.546 ( 0.089 0.153 0.000) 0.177 7.582 ( -0.701 -1.214 0.000) 1.402 7.823 ( -3.950 -6.842 0.000) 7.900 7.899 ( -1.679 -2.907 0.000) 3.357 8.402 ( 0.277 0.480 0.000) 0.555 8.733 ( 3.318 5.747 0.000) 6.636 8.738 ( 2.719 4.709 0.000) 5.438 8.874 ( 0.746 1.292 0.000) 1.492 9.024 ( -2.727 -4.723 0.000) 5.454 9.141 ( -0.211 -0.366 0.000) 0.423 9.805 ( 3.947 6.836 0.000) 7.893 9.877 ( 4.712 8.162 0.000) 9.424 9.988 ( -0.162 -0.281 0.000) 0.324 10.136 ( 0.499 0.865 0.000) 0.999 10.401 ( -4.534 -7.854 0.000) 9.069 10.458 ( 0.848 1.469 0.000) 1.697 10.839 ( -3.204 -5.550 0.000) 6.409 10.877 ( -1.586 -2.746 0.000) 3.171 10.958 ( -3.841 -6.653 0.000) 7.683 11.249 ( -3.627 -6.282 0.000) 7.254 11.462 ( 4.242 7.347 0.000) 8.483 11.766 ( 3.157 5.468 0.000) 6.314 11.880 ( 2.102 3.640 0.000) 4.203 12.070 ( 3.286 5.692 0.000) 6.573 12.215 ( -1.965 -3.404 0.000) 3.930 12.579 ( -3.354 -5.810 0.000) 6.709 13.392 ( 6.633 11.488 0.000) 13.266 13.437 ( 5.509 9.542 0.000) 11.018 14.220 ( -9.711 -16.820 0.000) 19.422 14.247 ( -9.923 -17.187 0.000) 19.846 14.287 ( -4.536 -7.856 0.000) 9.071 14.837 ( -3.547 -6.143 0.000) 7.093 16.438 ( 7.123 12.337 0.000) 14.246 16.704 ( 6.825 11.821 0.000) 13.650 17.056 ( -1.632 -2.826 0.000) 3.263 17.071 ( -4.389 -7.601 0.000) 8.777 17.111 ( -0.764 -1.323 0.000) 1.528 17.233 ( -5.758 -9.973 0.000) 11.516 18.278 ( 5.825 10.089 0.000) 11.650 18.587 ( 7.369 12.764 0.000) 14.738 18.784 ( -4.558 -7.895 0.000) 9.116 19.191 ( -4.781 -8.281 0.000) 9.563 20.833 ( 11.560 20.022 0.000) 23.119 21.041 ( 13.438 23.275 0.000) 26.876 21.347 ( 3.038 5.263 0.000) 6.077 21.874 ( -4.852 -8.404 0.000) 9.704 21.984 ( -2.351 -4.072 0.000) 4.702 22.146 ( -4.355 -7.544 0.000) 8.711 22.449 ( -7.336 -12.705 0.000) 14.671 22.779 ( -0.139 -0.241 0.000) 0.278 ======================= Grid point 38 (16/58) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -1.229 2.129 0.000) 2.458 1.880 ( -0.114 0.197 -0.000) 0.228 2.096 ( -2.914 5.048 0.000) 5.829 2.273 ( -1.764 3.055 0.000) 3.527 2.400 ( 3.363 -5.824 -0.000) 6.725 2.495 ( -6.824 11.820 -0.000) 13.649 2.668 ( -0.967 1.675 0.000) 1.934 2.852 ( 2.614 -4.528 -0.000) 5.229 2.902 ( 1.577 -2.731 0.000) 3.153 3.041 ( 1.862 -3.226 0.000) 3.725 3.123 ( 0.433 -0.749 -0.000) 0.865 3.287 ( 7.638 -13.230 0.000) 15.277 3.506 ( -5.903 10.225 -0.000) 11.807 3.551 ( -0.777 1.345 0.000) 1.553 3.669 ( 1.253 -2.171 0.000) 2.507 3.716 ( 2.803 -4.855 -0.000) 5.606 3.829 ( 4.049 -7.013 -0.000) 8.098 3.969 ( 2.705 -4.685 0.000) 5.410 4.229 ( -4.542 7.866 0.000) 9.083 4.314 ( -4.325 7.491 -0.000) 8.650 4.497 ( 4.771 -8.264 0.000) 9.543 4.507 ( 4.052 -7.018 0.000) 8.103 5.019 ( -1.272 2.204 -0.000) 2.545 5.158 ( -2.159 3.739 0.000) 4.318 5.306 ( 4.799 -8.312 0.000) 9.598 5.520 ( -4.434 7.679 -0.000) 8.867 5.591 ( -0.345 0.597 0.000) 0.689 5.778 ( 1.460 -2.528 0.000) 2.920 5.865 ( 1.224 -2.121 0.000) 2.449 5.898 ( -4.451 7.710 -0.000) 8.903 6.034 ( 2.351 -4.072 -0.000) 4.702 6.082 ( 2.577 -4.464 0.000) 5.154 6.391 ( -2.688 4.655 0.000) 5.375 6.447 ( -0.627 1.087 -0.000) 1.255 6.770 ( -0.750 1.300 0.000) 1.501 6.788 ( 1.289 -2.233 0.000) 2.579 6.820 ( -0.190 0.329 -0.000) 0.380 6.831 ( 0.774 -1.340 0.000) 1.547 7.343 ( -4.206 7.284 -0.000) 8.411 7.520 ( 3.659 -6.338 -0.000) 7.318 7.552 ( -1.919 3.323 0.000) 3.837 7.575 ( -0.337 0.584 0.000) 0.675 7.752 ( 2.067 -3.580 0.000) 4.134 7.866 ( -0.651 1.127 -0.000) 1.301 8.405 ( -0.781 1.352 -0.000) 1.562 8.780 ( -2.272 3.936 0.000) 4.545 8.838 ( -0.404 0.699 -0.000) 0.808 8.853 ( 0.727 -1.260 0.000) 1.454 8.970 ( -0.155 0.268 0.000) 0.310 9.138 ( 0.092 -0.159 -0.000) 0.184 9.885 ( -5.004 8.668 0.000) 10.009 9.987 ( 1.090 -1.888 0.000) 2.180 10.004 ( -1.502 2.601 -0.000) 3.003 10.166 ( -1.013 1.754 0.000) 2.026 10.263 ( 1.041 -1.803 -0.000) 2.082 10.469 ( -1.746 3.025 -0.000) 3.493 10.765 ( 0.818 -1.417 -0.000) 1.636 10.853 ( 5.726 -9.917 0.000) 11.451 10.883 ( 2.938 -5.089 -0.000) 5.877 11.183 ( 0.264 -0.457 -0.000) 0.527 11.560 ( -5.716 9.900 0.000) 11.432 11.776 ( 2.370 -4.104 -0.000) 4.739 11.954 ( -3.419 5.921 0.000) 6.837 12.156 ( 3.843 -6.656 0.000) 7.686 12.186 ( -7.105 12.306 -0.000) 14.210 12.487 ( 5.569 -9.645 -0.000) 11.137 13.576 ( -7.469 12.937 -0.000) 14.939 13.591 ( -6.701 11.607 -0.000) 13.403 13.973 ( 9.160 -15.866 0.000) 18.320 13.990 ( 7.690 -13.319 0.000) 15.379 14.223 ( 4.836 -8.376 -0.000) 9.671 14.772 ( 1.312 -2.273 -0.000) 2.625 16.626 ( -3.368 5.834 0.000) 6.737 16.905 ( -3.064 5.306 0.000) 6.127 16.907 ( -2.715 4.703 -0.000) 5.430 16.989 ( -2.436 4.219 0.000) 4.872 17.069 ( 5.419 -9.385 -0.000) 10.837 17.147 ( 4.795 -8.305 0.000) 9.590 18.428 ( -3.987 6.905 -0.000) 7.973 18.647 ( 4.254 -7.368 0.000) 8.507 18.787 ( -4.806 8.325 -0.000) 9.613 19.053 ( 5.176 -8.965 0.000) 10.352 21.049 ( -14.249 24.679 -0.000) 28.497 21.322 ( -15.461 26.780 0.000) 30.923 21.559 ( 2.484 -4.304 0.000) 4.969 21.587 ( 9.341 -16.178 -0.000) 18.681 21.931 ( 11.242 -19.472 0.000) 22.484 22.100 ( -0.666 1.154 -0.000) 1.332 22.285 ( 1.984 -3.436 0.000) 3.968 22.780 ( -0.391 0.678 -0.000) 0.783 ======================= Grid point 133 (17/58) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 0.000 -0.000 24.045) 24.045 0.420 ( 0.000 -0.000 24.045) 24.045 1.103 ( 0.000 0.000 60.557) 60.557 1.296 ( 0.000 -0.000 -25.245) 25.245 1.296 ( 0.000 0.000 -25.245) 25.245 2.292 ( 0.000 -0.000 26.587) 26.587 2.292 ( -0.000 0.000 26.587) 26.587 2.650 ( 0.000 0.000 -16.097) 16.097 2.739 ( 0.000 0.000 4.695) 4.695 3.043 ( 0.000 -0.000 -8.536) 8.536 3.234 ( 0.000 -0.000 -25.589) 25.589 3.234 ( 0.000 0.000 -25.589) 25.589 3.265 ( 0.000 0.000 2.630) 2.630 3.715 ( 0.000 0.000 -32.195) 32.195 3.982 ( 0.000 0.000 3.864) 3.864 4.060 ( 0.000 0.000 18.979) 18.979 4.060 ( 0.000 -0.000 18.979) 18.979 4.142 ( 0.000 0.000 -3.100) 3.100 4.255 ( 0.000 -0.000 8.756) 8.756 4.255 ( 0.000 0.000 8.756) 8.756 4.535 ( 0.000 -0.000 -9.028) 9.028 4.535 ( 0.000 -0.000 -9.028) 9.028 4.683 ( 0.000 0.000 -8.486) 8.486 4.683 ( 0.000 -0.000 -8.486) 8.486 5.091 ( 0.000 0.000 32.873) 32.873 5.495 ( 0.000 0.000 5.676) 5.676 5.495 ( 0.000 0.000 5.676) 5.676 5.669 ( 0.000 -0.000 -2.953) 2.953 5.669 ( -0.000 0.000 -2.953) 2.953 5.909 ( 0.000 0.000 -12.205) 12.205 6.282 ( 0.000 -0.000 -0.244) 0.244 6.282 ( 0.000 0.000 -0.244) 0.244 6.363 ( 0.000 -0.000 -3.029) 3.029 6.363 ( 0.000 0.000 -3.029) 3.029 6.698 ( 0.000 -0.000 9.220) 9.220 6.698 ( 0.000 0.000 9.220) 9.220 7.002 ( 0.000 -0.000 2.365) 2.365 7.002 ( 0.000 0.000 2.365) 2.365 7.141 ( 0.000 0.000 -9.555) 9.555 7.141 ( -0.000 0.000 -9.555) 9.555 7.228 ( -0.000 0.000 -4.760) 4.760 7.228 ( 0.000 -0.000 -4.760) 4.760 8.385 ( 0.000 0.000 1.734) 1.734 8.448 ( 0.000 0.000 -1.099) 1.099 8.816 ( 0.000 -0.000 17.493) 17.493 8.816 ( 0.000 -0.000 17.493) 17.493 9.578 ( 0.000 -0.000 -20.540) 20.540 9.578 ( 0.000 -0.000 -20.540) 20.540 10.212 ( 0.000 -0.000 10.595) 10.595 10.212 ( 0.000 0.000 10.595) 10.595 10.270 ( 0.000 0.000 -1.199) 1.199 10.288 ( 0.000 0.000 -1.204) 1.204 10.404 ( 0.000 0.000 6.110) 6.110 10.435 ( 0.000 -0.000 -1.912) 1.912 10.435 ( 0.000 -0.000 -1.912) 1.912 10.630 ( 0.000 0.000 -4.781) 4.781 10.634 ( 0.000 0.000 2.034) 2.034 10.634 ( 0.000 0.000 2.034) 2.034 10.742 ( -0.000 0.000 -2.343) 2.343 10.742 ( 0.000 0.000 -2.343) 2.343 11.246 ( 0.000 0.000 -0.031) 0.031 11.273 ( 0.000 0.000 -1.795) 1.795 11.928 ( 0.000 0.000 9.417) 9.417 12.317 ( 0.000 0.000 -8.999) 8.999 12.787 ( 0.000 0.000 0.090) 0.090 12.787 ( 0.000 -0.000 0.090) 0.090 12.794 ( 0.000 0.000 -0.171) 0.171 12.794 ( 0.000 -0.000 -0.171) 0.171 13.026 ( 0.000 0.000 4.732) 4.732 13.179 ( 0.000 0.000 -2.566) 2.566 16.813 ( 0.000 -0.000 0.226) 0.226 16.813 ( 0.000 0.000 0.226) 0.226 16.824 ( 0.000 0.000 -0.263) 0.263 16.824 ( -0.000 0.000 -0.263) 0.263 17.372 ( 0.000 -0.000 1.734) 1.734 17.372 ( 0.000 -0.000 1.734) 1.734 17.449 ( 0.000 0.000 -1.730) 1.730 17.449 ( 0.000 0.000 -1.730) 1.730 18.018 ( 0.000 -0.000 0.347) 0.347 18.033 ( 0.000 -0.000 -0.349) 0.349 18.818 ( -0.000 0.000 0.636) 0.636 18.846 ( 0.000 0.000 -0.628) 0.628 19.080 ( 0.000 -0.000 0.845) 0.845 19.080 ( 0.000 0.000 0.845) 0.845 19.117 ( 0.000 0.000 -0.789) 0.789 19.117 ( 0.000 0.000 -0.789) 0.789 22.828 ( 0.000 0.000 1.387) 1.387 22.896 ( 0.000 0.000 -1.666) 1.666 23.323 ( 0.000 0.000 1.193) 1.193 23.369 ( 0.000 0.000 -0.909) 0.909 ======================= Grid point 134 (18/58) ======================= q-point: ( 0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 21.313 12.305 8.356) 25.991 0.907 ( 11.204 6.469 33.903) 36.287 1.484 ( 17.503 10.105 -15.945) 25.743 1.572 ( 16.724 9.656 -20.970) 28.507 1.632 ( 44.316 25.586 26.265) 57.519 2.192 ( -2.920 -1.686 23.415) 23.656 2.501 ( 6.700 3.868 14.278) 16.240 2.714 ( 8.561 4.943 -4.239) 10.756 2.726 ( -3.450 -1.992 2.647) 4.782 2.849 ( -13.372 -7.720 11.363) 19.171 3.061 ( 2.747 1.586 -7.037) 7.719 3.216 ( -1.275 -0.736 -14.164) 14.241 3.384 ( 6.279 3.625 -24.305) 25.363 3.682 ( -1.724 -0.995 -35.516) 35.572 3.810 ( -12.036 -6.949 9.884) 17.054 3.962 ( -1.998 -1.154 10.604) 10.852 4.074 ( -4.083 -2.357 -2.165) 5.188 4.207 ( 1.915 1.106 13.664) 13.842 4.292 ( 5.875 3.392 12.309) 14.055 4.307 ( 0.907 0.524 6.079) 6.169 4.460 ( -0.254 -0.147 -6.728) 6.734 4.634 ( -3.615 -2.087 -3.521) 5.461 4.751 ( 5.789 3.342 -9.869) 11.920 4.891 ( 15.479 8.937 -16.965) 24.643 5.081 ( -0.516 -0.298 31.518) 31.524 5.355 ( -7.643 -4.413 2.274) 9.114 5.531 ( -6.660 -3.845 -8.245) 11.275 5.612 ( 5.054 2.918 9.913) 11.503 5.770 ( 2.437 1.407 1.644) 3.259 5.799 ( -4.786 -2.763 -5.315) 7.668 6.210 ( -3.399 -1.962 0.960) 4.040 6.260 ( -7.751 -4.475 2.426) 9.273 6.357 ( 2.569 1.483 -1.814) 3.477 6.575 ( -7.110 -4.105 1.218) 8.299 6.579 ( 12.575 7.260 -19.439) 24.264 6.738 ( -8.916 -5.148 6.474) 12.162 6.807 ( -6.709 -3.874 -4.080) 8.756 6.891 ( 4.988 2.880 1.050) 5.855 7.171 ( 2.983 1.722 -1.812) 3.892 7.320 ( 7.030 4.059 3.689) 8.917 7.369 ( 11.754 6.786 -10.682) 17.272 7.509 ( 14.372 8.298 -6.169) 17.705 8.321 ( -38.954 -22.490 38.099) 58.947 8.372 ( -0.828 -0.478 1.825) 2.060 8.477 ( -2.898 -1.673 1.816) 3.807 8.886 ( -5.275 -3.046 12.710) 14.094 8.946 ( -3.329 -1.922 28.900) 29.155 9.105 ( -26.259 -15.161 1.712) 30.370 9.465 ( -8.497 -4.906 -17.852) 20.371 9.862 ( -16.325 -9.425 -1.237) 18.891 9.953 ( -5.921 -3.419 -11.962) 13.778 10.013 ( -17.812 -10.284 -0.374) 20.571 10.304 ( -2.140 -1.236 4.699) 5.309 10.399 ( 2.749 1.587 2.506) 4.044 10.492 ( -5.098 -2.944 4.511) 7.417 10.675 ( 6.476 3.739 -1.443) 7.616 10.683 ( 3.160 1.824 2.064) 4.192 10.743 ( -0.716 -0.414 -1.377) 1.607 11.242 ( 0.164 0.094 -0.737) 0.761 11.259 ( 3.169 1.830 -0.616) 3.711 11.510 ( 34.045 19.656 5.060) 39.636 11.642 ( 14.996 8.658 -8.430) 19.259 11.845 ( -5.584 -3.224 8.722) 10.847 12.140 ( -8.979 -5.184 -4.921) 11.476 12.517 ( -9.077 -5.241 3.678) 11.108 12.685 ( -8.671 -5.006 -3.011) 10.455 12.895 ( 5.329 3.077 0.525) 6.176 12.900 ( 1.885 1.088 -2.595) 3.387 13.206 ( 20.408 11.783 8.156) 24.937 13.759 ( 21.465 12.393 -16.951) 30.028 16.383 ( -30.553 -17.640 12.510) 37.432 16.605 ( -31.914 -18.425 -3.424) 37.009 16.765 ( -6.015 -3.473 0.157) 6.947 16.768 ( -5.595 -3.230 -0.142) 6.462 16.925 ( -4.204 -2.427 0.524) 4.883 16.974 ( 4.847 2.799 -0.467) 5.617 17.419 ( 4.683 2.703 1.469) 5.603 17.506 ( 5.125 2.959 -1.641) 6.141 17.940 ( -6.257 -3.612 1.474) 7.373 18.004 ( -2.819 -1.627 -1.205) 3.471 19.118 ( 3.166 1.828 1.319) 3.887 19.121 ( 4.357 2.515 0.900) 5.111 19.165 ( 4.510 2.604 -1.381) 5.388 19.198 ( 6.245 3.606 -0.748) 7.250 19.576 ( 41.702 24.077 7.681) 48.762 20.542 ( 52.526 30.326 -59.085) 84.674 22.606 ( -11.786 -6.805 13.824) 19.399 22.834 ( -4.755 -2.745 -3.124) 6.317 23.277 ( -3.904 -2.254 1.706) 4.820 23.340 ( -2.532 -1.462 -1.174) 3.151 ======================= Grid point 135 (19/58) ======================= q-point: ( 0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 11.178 6.454 29.818) 32.492 1.197 ( 21.666 12.509 -0.473) 25.023 1.837 ( 9.412 5.434 -5.987) 12.408 1.969 ( 15.538 8.971 -9.228) 20.176 2.154 ( 1.177 0.679 11.252) 11.333 2.429 ( -6.930 -4.001 1.645) 8.169 2.500 ( -5.487 -3.168 3.907) 7.443 2.607 ( 11.862 6.849 13.351) 19.128 2.980 ( 30.112 17.385 6.547) 35.382 3.002 ( 12.421 7.172 4.228) 14.953 3.224 ( 3.045 1.758 -7.864) 8.615 3.236 ( 10.552 6.092 -4.000) 12.824 3.451 ( -4.770 -2.754 -6.804) 8.754 3.621 ( 2.001 1.155 -8.199) 8.518 3.727 ( 7.393 4.268 -30.523) 31.694 3.935 ( 0.213 0.123 6.829) 6.833 3.962 ( -5.068 -2.926 -0.254) 5.857 4.182 ( -2.710 -1.565 4.523) 5.500 4.214 ( -6.304 -3.640 -5.266) 8.985 4.394 ( -4.471 -2.581 11.408) 12.522 4.572 ( 3.945 2.277 6.227) 7.715 4.581 ( 7.906 4.565 5.138) 10.476 4.847 ( -0.450 -0.260 -8.077) 8.094 5.082 ( 0.958 0.553 26.372) 26.395 5.111 ( -4.250 -2.454 -14.183) 15.008 5.251 ( 4.885 2.820 0.990) 5.727 5.381 ( -4.073 -2.352 -13.259) 14.069 5.661 ( -2.901 -1.675 11.270) 11.757 5.724 ( -2.061 -1.190 -7.121) 7.508 5.784 ( 2.617 1.511 6.285) 6.974 6.128 ( -4.190 -2.419 3.081) 5.736 6.154 ( -0.945 -0.545 -2.617) 2.835 6.266 ( -9.367 -5.408 -7.554) 13.193 6.503 ( 2.329 1.344 5.109) 5.773 6.532 ( -6.548 -3.780 11.039) 13.380 6.717 ( -3.449 -1.991 -9.601) 10.394 6.771 ( 3.434 1.983 -18.038) 18.469 7.042 ( 7.096 4.097 -6.446) 10.426 7.262 ( 4.944 2.855 5.817) 8.150 7.519 ( 8.879 5.126 13.281) 16.778 7.676 ( 13.821 7.980 -13.660) 21.007 7.684 ( -14.500 -8.371 22.619) 28.141 7.782 ( 7.059 4.076 -5.810) 10.009 8.278 ( -25.571 -14.763 -1.788) 29.581 8.364 ( 0.381 0.220 1.512) 1.575 8.519 ( 3.232 1.866 -5.216) 6.414 9.046 ( 6.665 3.848 16.278) 18.006 9.109 ( 5.555 3.207 18.246) 19.341 9.239 ( -10.577 -6.107 -11.325) 16.656 9.340 ( -22.738 -13.128 3.178) 26.447 9.541 ( -20.242 -11.687 -0.489) 23.379 9.992 ( 3.331 1.923 -17.353) 17.775 10.221 ( -5.072 -2.928 3.008) 6.584 10.339 ( -7.050 -4.070 1.414) 8.262 10.457 ( 1.503 0.867 1.786) 2.490 10.630 ( -8.033 -4.638 -0.359) 9.283 10.764 ( 3.904 2.254 1.070) 4.634 10.807 ( 5.894 3.403 -1.320) 6.932 11.233 ( -0.564 -0.326 1.754) 1.871 11.372 ( 5.649 3.261 -1.594) 6.714 11.629 ( -8.260 -4.769 4.976) 10.758 11.693 ( -11.141 -6.432 -1.783) 12.987 11.975 ( 10.234 5.909 -2.721) 12.126 12.255 ( 9.632 5.561 2.532) 11.407 12.363 ( -4.027 -2.325 1.019) 4.760 12.397 ( -10.900 -6.293 -4.105) 13.239 12.968 ( 4.359 2.517 -0.169) 5.036 12.998 ( 3.426 1.978 0.375) 3.974 13.828 ( 28.611 16.519 4.013) 33.280 14.176 ( 15.879 9.168 -4.833) 18.962 15.771 ( -23.477 -13.554 2.343) 27.210 15.821 ( -29.602 -17.091 -1.463) 34.213 16.573 ( -10.072 -5.815 0.090) 11.630 16.596 ( -8.709 -5.028 -0.081) 10.057 16.961 ( 2.644 1.526 -0.649) 3.121 17.062 ( 2.162 1.248 0.959) 2.674 17.599 ( 9.412 5.434 -0.060) 10.868 17.700 ( 10.779 6.223 -0.123) 12.447 17.769 ( -6.788 -3.919 1.683) 8.016 17.920 ( -3.648 -2.106 -3.021) 5.183 19.192 ( 2.581 1.490 3.036) 4.255 19.239 ( 5.361 3.095 -0.051) 6.191 19.314 ( 7.770 4.486 -1.810) 9.153 19.372 ( 8.015 4.627 -0.540) 9.271 20.447 ( 31.258 18.047 11.027) 37.740 21.274 ( 18.477 10.667 -30.147) 36.933 22.401 ( -5.869 -3.389 12.234) 13.986 22.708 ( -5.483 -3.165 -5.693) 8.514 23.143 ( -7.426 -4.287 3.314) 9.193 23.250 ( -5.160 -2.979 -1.860) 6.242 ======================= Grid point 136 (20/58) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 11.571 6.681 18.502) 22.822 1.618 ( 11.865 6.850 -4.801) 14.517 1.953 ( 3.620 2.090 -0.272) 4.189 2.033 ( -3.688 -2.129 13.861) 14.501 2.277 ( -1.177 -0.679 4.420) 4.624 2.329 ( -6.383 -3.685 3.513) 8.165 2.463 ( 17.479 10.091 -14.343) 24.760 2.667 ( -0.905 -0.523 4.838) 4.950 3.099 ( -6.027 -3.480 0.941) 7.022 3.254 ( 3.529 2.037 -4.962) 6.421 3.375 ( 2.215 1.279 -8.833) 9.196 3.441 ( 4.727 2.729 0.221) 5.463 3.669 ( 0.771 0.445 12.410) 12.442 3.743 ( 5.651 3.262 -13.389) 14.894 3.983 ( 5.191 2.997 -3.373) 6.878 3.993 ( 3.046 1.758 -7.867) 8.617 3.996 ( -0.470 -0.271 -2.307) 2.370 4.166 ( 10.102 5.833 -0.818) 11.694 4.166 ( 2.836 1.637 5.952) 6.794 4.221 ( 13.457 7.770 4.398) 16.150 4.667 ( -11.709 -6.760 0.014) 13.520 4.674 ( 0.777 0.448 4.132) 4.228 4.749 ( 5.644 3.259 1.404) 6.667 4.968 ( -3.839 -2.217 -5.395) 6.983 5.132 ( 3.261 1.883 16.027) 16.463 5.174 ( -7.166 -4.137 -4.417) 9.380 5.488 ( 5.251 3.032 -3.635) 7.070 5.664 ( 4.311 2.489 3.727) 6.219 5.694 ( -0.655 -0.378 -8.743) 8.776 5.847 ( 0.860 0.497 7.334) 7.401 6.029 ( -2.704 -1.561 6.185) 6.929 6.086 ( -4.983 -2.877 -5.074) 7.672 6.140 ( -1.014 -0.586 -8.207) 8.290 6.473 ( 1.353 0.781 8.413) 8.557 6.541 ( -0.518 -0.299 0.552) 0.814 6.664 ( 0.834 0.481 -2.680) 2.847 6.781 ( -1.762 -1.018 -16.392) 16.518 7.152 ( 0.793 0.458 -0.123) 0.924 7.393 ( 5.902 3.407 10.086) 12.172 7.439 ( -5.960 -3.441 3.952) 7.936 7.721 ( 6.904 3.986 14.487) 16.536 7.785 ( -16.712 -9.649 1.919) 19.393 7.930 ( 5.735 3.311 -5.655) 8.708 7.987 ( 10.732 6.196 -12.575) 17.655 8.387 ( 1.391 0.803 -0.058) 1.607 8.583 ( 0.689 0.398 -8.216) 8.255 8.819 ( -18.892 -10.907 3.081) 22.031 8.929 ( -15.317 -8.843 -2.824) 17.910 8.999 ( -10.795 -6.232 -4.932) 13.405 9.233 ( 2.609 1.506 12.036) 12.407 9.403 ( 9.758 5.634 15.290) 18.993 10.063 ( -6.881 -3.973 -0.480) 7.960 10.075 ( 2.285 1.319 -13.053) 13.317 10.186 ( -5.757 -3.324 -1.184) 6.752 10.430 ( -4.419 -2.551 2.456) 5.663 10.452 ( -5.556 -3.208 1.406) 6.568 10.855 ( 3.268 1.887 2.067) 4.303 10.961 ( 6.673 3.853 -1.565) 7.863 11.224 ( -0.043 -0.025 -1.115) 1.116 11.399 ( -11.922 -6.883 -0.242) 13.768 11.481 ( 2.889 1.668 0.065) 3.336 11.496 ( -1.739 -1.004 2.352) 3.093 12.004 ( -14.161 -8.176 1.902) 16.462 12.062 ( -2.952 -1.704 -7.917) 8.620 12.388 ( 5.592 3.228 6.037) 8.839 12.534 ( 7.156 4.132 -2.864) 8.745 13.064 ( 2.540 1.467 0.325) 2.951 13.084 ( 5.193 2.998 -0.171) 5.999 14.385 ( 16.422 9.481 0.738) 18.977 14.499 ( 10.528 6.078 -0.810) 12.184 15.272 ( -16.671 -9.625 1.821) 19.336 15.291 ( -16.534 -9.546 -1.337) 19.139 16.335 ( -8.845 -5.106 -0.164) 10.214 16.398 ( -7.101 -4.100 0.202) 8.202 16.995 ( -0.475 -0.274 -2.227) 2.294 17.090 ( 0.299 0.172 3.261) 3.279 17.595 ( -6.112 -3.529 3.669) 7.954 17.666 ( -5.598 -3.232 -4.089) 7.649 17.993 ( 11.454 6.613 0.369) 13.231 18.049 ( 16.916 9.766 -2.090) 19.644 19.218 ( -0.664 -0.383 4.729) 4.791 19.341 ( 2.747 1.586 -1.984) 3.742 19.506 ( 8.191 4.729 -2.125) 9.694 19.554 ( 7.287 4.207 0.045) 8.415 21.048 ( 21.086 12.174 9.060) 25.979 21.586 ( 9.788 5.651 -14.503) 18.387 22.319 ( -1.281 -0.739 7.634) 7.776 22.590 ( -4.673 -2.698 -7.449) 9.198 22.941 ( -9.451 -5.457 5.717) 12.320 23.100 ( -7.652 -4.418 -2.707) 9.241 ======================= Grid point 137 (21/58) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 6.493 3.749 8.737) 11.513 1.711 ( 0.243 0.140 -1.528) 1.554 2.009 ( 2.452 1.416 7.671) 8.177 2.031 ( 0.131 0.076 4.513) 4.515 2.307 ( 2.151 1.242 7.686) 8.078 2.340 ( 7.309 4.220 -2.361) 8.764 2.602 ( -1.537 -0.888 -0.839) 1.964 2.886 ( 15.962 9.216 -11.680) 21.821 2.896 ( -8.993 -5.192 -1.247) 10.459 3.330 ( 1.045 0.603 2.923) 3.163 3.398 ( -6.438 -3.717 -1.750) 7.638 3.457 ( 3.243 1.872 -11.292) 11.897 3.525 ( -7.668 -4.427 12.701) 15.483 3.761 ( -9.745 -5.626 -2.664) 11.564 3.839 ( -0.884 -0.510 -5.336) 5.432 3.964 ( 2.737 1.580 -3.710) 4.874 4.006 ( -7.642 -4.412 5.120) 10.202 4.145 ( -12.030 -6.945 -1.266) 13.948 4.158 ( 5.979 3.452 -0.903) 6.963 4.584 ( -5.237 -3.024 -0.495) 6.067 4.740 ( 11.401 6.582 7.338) 15.071 4.825 ( 7.159 4.133 1.256) 8.362 4.867 ( 8.334 4.812 -4.907) 10.802 4.963 ( -7.618 -4.398 1.064) 8.860 5.181 ( 25.573 14.764 -0.686) 29.537 5.239 ( 6.185 3.571 2.597) 7.599 5.511 ( -2.954 -1.705 2.914) 4.485 5.695 ( 1.786 1.031 -5.387) 5.768 5.757 ( -0.120 -0.069 -7.536) 7.537 5.786 ( -3.817 -2.204 8.606) 9.669 6.031 ( -0.650 -0.375 -0.113) 0.759 6.036 ( 2.076 1.198 3.080) 3.903 6.149 ( 2.653 1.532 -6.247) 6.957 6.519 ( -0.076 -0.044 4.703) 4.704 6.583 ( 7.715 4.454 4.192) 9.846 6.705 ( -4.769 -2.754 -16.882) 17.757 6.752 ( 5.653 3.264 1.458) 6.689 7.098 ( -3.999 -2.309 8.831) 9.966 7.322 ( -5.013 -2.895 -10.485) 11.977 7.440 ( -11.649 -6.726 5.372) 14.484 7.516 ( 2.575 1.487 12.450) 12.801 7.848 ( 3.648 2.106 6.544) 7.783 8.027 ( -0.160 -0.092 4.790) 4.793 8.098 ( -2.793 -1.612 -7.583) 8.240 8.380 ( -3.119 -1.801 -6.643) 7.557 8.465 ( -6.223 -3.593 -6.100) 9.425 8.581 ( 1.161 0.670 3.015) 3.299 8.707 ( -3.907 -2.256 -6.200) 7.668 8.813 ( -4.858 -2.805 -4.549) 7.222 9.233 ( -2.419 -1.396 1.525) 3.182 9.672 ( 11.159 6.442 14.553) 19.437 9.899 ( -4.458 -2.574 0.293) 5.156 10.074 ( -3.996 -2.307 0.204) 4.618 10.128 ( 0.624 0.360 -9.883) 9.909 10.267 ( -8.202 -4.735 2.097) 9.700 10.390 ( -0.451 -0.261 2.925) 2.971 10.910 ( 1.893 1.093 3.527) 4.149 11.078 ( 2.236 1.291 -2.447) 3.557 11.159 ( -7.451 -4.302 1.321) 8.705 11.220 ( -0.634 -0.366 -3.424) 3.502 11.520 ( 0.103 0.059 1.465) 1.469 11.544 ( 4.063 2.346 -0.969) 4.790 11.745 ( -6.950 -4.013 5.128) 9.524 11.958 ( -3.939 -2.274 -9.306) 10.358 12.505 ( 3.296 1.903 6.966) 7.937 12.653 ( 3.349 1.933 -4.105) 5.640 13.129 ( 3.059 1.766 0.742) 3.609 13.200 ( 4.512 2.605 -0.920) 5.291 14.523 ( -2.702 -1.560 0.632) 3.183 14.587 ( -2.973 -1.716 -0.093) 3.434 15.055 ( -4.237 -2.446 3.566) 6.054 15.062 ( -3.278 -1.893 -3.399) 5.088 16.242 ( 2.271 1.311 -0.246) 2.634 16.323 ( 1.676 0.968 0.233) 1.950 16.913 ( -6.645 -3.837 -1.678) 7.855 17.052 ( -4.620 -2.667 3.412) 6.333 17.494 ( -2.492 -1.439 2.011) 3.511 17.497 ( -6.619 -3.822 -4.086) 8.667 18.304 ( 13.789 7.961 2.847) 16.174 18.460 ( 17.359 10.022 -3.400) 20.330 19.153 ( -4.856 -2.804 5.796) 8.065 19.348 ( -2.345 -1.354 -4.082) 4.899 19.677 ( 6.141 3.546 -2.096) 7.395 19.699 ( 4.819 2.782 0.300) 5.573 21.474 ( 16.043 9.262 5.932) 19.451 21.763 ( 5.540 3.198 -5.651) 8.536 22.340 ( 3.130 1.807 2.768) 4.552 22.464 ( -7.051 -4.071 -5.090) 9.602 22.737 ( -6.931 -4.002 5.586) 9.760 22.898 ( -9.409 -5.433 -3.269) 11.346 ======================= Grid point 138 (22/58) ======================= q-point: ( 0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 3.616 2.088 1.195) 4.343 1.794 ( 7.972 4.603 8.230) 12.348 2.001 ( -2.539 -1.466 9.417) 9.863 2.028 ( -3.768 -2.175 0.905) 4.444 2.318 ( -0.842 -0.486 2.365) 2.557 2.451 ( 0.871 0.503 -10.022) 10.072 2.655 ( 6.092 3.517 -2.397) 7.432 2.803 ( 2.940 1.698 -2.735) 4.360 3.143 ( 1.426 0.823 -1.918) 2.527 3.191 ( -10.209 -5.894 2.995) 12.163 3.220 ( -5.718 -3.301 5.109) 8.348 3.455 ( 4.179 2.412 5.880) 7.606 3.525 ( 1.567 0.905 -12.548) 12.678 3.684 ( 1.700 0.981 2.614) 3.269 3.745 ( -4.590 -2.650 -4.735) 7.107 3.836 ( -6.681 -3.857 6.779) 10.270 3.908 ( -4.989 -2.880 -1.897) 6.065 4.036 ( 1.043 0.602 2.561) 2.830 4.329 ( 7.560 4.365 -5.121) 10.121 4.479 ( -2.238 -1.292 -1.093) 2.806 4.733 ( -8.027 -4.634 0.161) 9.270 4.803 ( -1.581 -0.913 -6.433) 6.687 4.958 ( 4.864 2.808 3.647) 6.696 5.116 ( 5.287 3.052 3.123) 6.858 5.332 ( -7.187 -4.149 5.686) 10.060 5.436 ( 10.045 5.800 -5.190) 12.707 5.681 ( -1.760 -1.016 1.856) 2.753 5.693 ( 5.499 3.175 -1.657) 6.562 5.740 ( -0.740 -0.427 -0.675) 1.089 5.886 ( 16.306 9.414 -4.487) 19.356 5.995 ( -4.011 -2.316 2.977) 5.505 6.061 ( -0.696 -0.402 1.192) 1.437 6.224 ( 2.313 1.335 -0.194) 2.678 6.542 ( 2.035 1.175 10.157) 10.425 6.549 ( -8.144 -4.702 -16.444) 18.943 6.777 ( 6.414 3.703 1.562) 7.569 6.904 ( 6.709 3.874 2.685) 8.199 7.011 ( -2.256 -1.302 8.494) 8.885 7.186 ( -9.723 -5.613 2.188) 11.438 7.236 ( -1.053 -0.608 -11.648) 11.711 7.544 ( -0.264 -0.153 13.546) 13.549 7.807 ( -6.720 -3.880 1.868) 7.981 7.963 ( -1.234 -0.713 7.465) 7.599 7.994 ( -2.387 -1.378 -4.113) 4.951 8.351 ( 0.571 0.330 -2.079) 2.181 8.497 ( 5.940 3.429 -2.761) 7.393 8.616 ( -4.528 -2.614 -7.186) 8.887 8.651 ( 1.870 1.080 -3.108) 3.785 8.763 ( 0.493 0.285 -3.492) 3.538 9.143 ( -4.747 -2.740 -7.031) 8.915 9.856 ( 3.191 1.843 9.652) 10.332 9.902 ( 4.346 2.509 -1.731) 5.309 9.965 ( -5.582 -3.223 5.474) 8.456 10.107 ( -1.705 -0.985 -4.772) 5.163 10.158 ( 0.999 0.577 1.456) 1.858 10.366 ( -2.633 -1.520 3.249) 4.449 10.951 ( 1.443 0.833 3.407) 3.793 11.015 ( -2.761 -1.594 3.434) 4.686 11.130 ( 0.983 0.568 -4.419) 4.563 11.202 ( -0.578 -0.334 -4.060) 4.114 11.488 ( -1.590 -0.918 2.871) 3.407 11.591 ( -0.346 -0.200 -0.933) 1.015 11.676 ( -1.038 -0.599 5.341) 5.474 11.939 ( 2.069 1.194 -11.280) 11.530 12.532 ( -0.704 -0.407 7.432) 7.476 12.706 ( 1.515 0.875 -3.769) 4.155 13.194 ( 2.010 1.161 1.241) 2.632 13.280 ( 1.819 1.050 -1.859) 2.805 14.437 ( -2.447 -1.413 1.588) 3.242 14.492 ( -2.878 -1.662 -0.427) 3.351 14.961 ( -3.559 -2.055 2.959) 5.064 15.033 ( -0.094 -0.054 -3.290) 3.292 16.421 ( 10.882 6.283 1.169) 12.619 16.468 ( 9.161 5.289 -0.869) 10.614 16.709 ( -9.499 -5.484 -0.109) 10.969 16.845 ( -12.142 -7.010 0.218) 14.022 17.414 ( -0.594 -0.343 -0.662) 0.953 17.461 ( -0.876 -0.506 -0.138) 1.021 18.596 ( 9.810 5.664 4.750) 12.283 18.810 ( 10.823 6.249 -4.154) 13.170 19.007 ( -6.562 -3.789 5.756) 9.516 19.245 ( -5.118 -2.955 -5.552) 8.109 19.770 ( 1.150 0.664 -0.112) 1.333 19.782 ( 2.640 1.524 -1.636) 3.460 21.802 ( 10.812 6.242 1.337) 12.556 21.846 ( 1.542 0.890 -0.620) 1.886 22.262 ( -8.232 -4.752 4.563) 10.544 22.463 ( 7.067 4.080 -2.214) 8.455 22.639 ( -1.908 -1.102 0.550) 2.271 22.674 ( -9.296 -5.367 -2.489) 11.019 ======================= Grid point 139 (23/58) ======================= q-point: (-0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -1.398 -0.807 0.155) 1.621 1.832 ( -7.990 -4.613 7.235) 11.725 1.914 ( -0.133 -0.077 8.544) 8.546 2.006 ( 5.280 3.049 3.042) 6.814 2.258 ( -4.460 -2.575 -1.631) 5.402 2.556 ( 7.467 4.311 -5.492) 10.223 2.804 ( 5.749 3.319 -2.355) 7.043 2.868 ( -5.986 -3.456 -5.194) 8.646 2.982 ( -0.905 -0.522 -0.707) 1.261 3.032 ( -7.105 -4.102 6.137) 10.245 3.199 ( 5.078 2.932 3.652) 6.908 3.502 ( -1.010 -0.583 -11.357) 11.416 3.657 ( -6.152 -3.552 10.785) 12.914 3.688 ( 8.717 5.033 -0.541) 10.080 3.748 ( 3.997 2.308 -5.748) 7.372 3.755 ( 4.640 2.679 5.363) 7.581 3.858 ( -1.541 -0.890 -3.443) 3.876 4.036 ( 1.028 0.594 1.498) 1.911 4.481 ( 4.599 2.655 -0.788) 5.368 4.511 ( 3.531 2.038 -6.124) 7.357 4.602 ( -2.486 -1.435 3.482) 4.513 4.708 ( -5.886 -3.398 -5.171) 8.540 5.039 ( 0.718 0.415 4.004) 4.089 5.132 ( -1.055 -0.609 -0.050) 1.220 5.251 ( 2.362 1.364 1.784) 3.259 5.544 ( -5.049 -2.915 4.254) 7.217 5.609 ( -5.023 -2.900 -2.070) 6.158 5.684 ( -7.409 -4.278 -1.549) 8.694 5.830 ( -4.085 -2.359 -7.310) 8.700 5.898 ( 9.267 5.350 4.255) 11.515 5.978 ( -6.719 -3.879 -3.227) 8.403 6.033 ( -2.873 -1.659 3.120) 4.554 6.247 ( 0.509 0.294 4.659) 4.696 6.424 ( -1.714 -0.990 -15.238) 15.366 6.625 ( 5.002 2.888 11.296) 12.687 6.797 ( -3.111 -1.796 -0.846) 3.691 6.918 ( -7.255 -4.189 7.419) 11.190 7.028 ( 1.469 0.848 -1.341) 2.162 7.114 ( 5.450 3.147 -6.280) 8.891 7.300 ( 6.380 3.684 -2.445) 7.762 7.517 ( -1.946 -1.124 14.285) 14.460 7.756 ( 2.605 1.504 0.850) 3.125 7.929 ( -0.720 -0.416 5.803) 5.862 8.059 ( 8.127 4.692 -1.880) 9.570 8.384 ( 1.846 1.066 1.184) 2.439 8.467 ( -6.965 -4.021 -8.098) 11.414 8.648 ( -1.882 -1.086 -4.979) 5.433 8.655 ( 5.804 3.351 -5.605) 8.736 8.830 ( 4.958 2.863 3.583) 6.754 9.024 ( -5.253 -3.033 -10.888) 12.464 9.837 ( -3.436 -1.984 5.235) 6.569 9.878 ( -0.948 -0.547 4.577) 4.706 9.985 ( -0.567 -0.328 1.165) 1.337 10.141 ( 6.977 4.028 -4.284) 9.124 10.254 ( 5.241 3.026 6.087) 8.583 10.277 ( -4.026 -2.324 -0.009) 4.649 10.966 ( -0.319 -0.184 3.587) 3.606 11.007 ( 1.919 1.108 3.460) 4.109 11.146 ( -0.161 -0.093 -4.567) 4.570 11.201 ( 0.587 0.339 -4.123) 4.178 11.503 ( 3.035 1.752 3.779) 5.154 11.582 ( 0.089 0.051 -1.494) 1.497 11.625 ( -3.051 -1.761 3.354) 4.864 11.984 ( 0.869 0.502 -9.963) 10.014 12.497 ( -1.748 -1.009 6.868) 7.158 12.727 ( 0.051 0.029 -2.736) 2.736 13.202 ( -1.425 -0.823 1.613) 2.305 13.270 ( -2.610 -1.507 -2.226) 3.747 14.445 ( 3.256 1.880 1.851) 4.191 14.488 ( 2.453 1.416 -0.693) 2.916 14.928 ( 0.866 0.500 1.447) 1.759 15.068 ( 2.959 1.708 -1.782) 3.854 16.428 ( -8.776 -5.067 1.189) 10.203 16.477 ( -11.645 -6.723 -0.866) 13.474 16.755 ( 8.055 4.651 -2.832) 9.723 16.761 ( 12.334 7.121 2.885) 14.532 17.441 ( -0.815 -0.471 -1.223) 1.543 17.447 ( 3.162 1.826 0.461) 3.680 18.610 ( -9.161 -5.289 5.090) 11.739 18.807 ( -10.850 -6.264 -4.500) 13.312 18.993 ( 6.010 3.470 5.282) 8.721 19.255 ( 5.751 3.320 -5.061) 8.349 19.751 ( -2.661 -1.536 -0.851) 3.188 19.797 ( -1.397 -0.807 -0.914) 1.854 21.802 ( -10.440 -6.028 1.656) 12.169 21.836 ( -2.365 -1.366 -0.912) 2.879 22.283 ( 9.631 5.561 5.094) 12.232 22.462 ( -7.017 -4.052 -2.799) 8.573 22.627 ( 0.879 0.508 0.125) 1.023 22.676 ( 9.266 5.350 -2.036) 10.892 ======================= Grid point 140 (24/58) ======================= q-point: (-0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -4.540 -2.621 3.694) 6.412 1.770 ( 0.540 0.312 0.180) 0.649 1.930 ( -10.713 -6.185 10.323) 16.112 2.017 ( 5.997 3.462 5.281) 8.709 2.226 ( 1.257 0.726 0.798) 1.656 2.503 ( -15.193 -8.772 7.229) 18.975 2.717 ( 0.004 0.002 -11.670) 11.670 2.806 ( -4.950 -2.858 12.106) 13.387 3.049 ( 8.554 4.939 -12.054) 15.584 3.093 ( 5.406 3.121 -17.527) 18.606 3.319 ( -0.900 -0.520 8.798) 8.859 3.479 ( -2.443 -1.411 11.749) 12.083 3.533 ( -0.346 -0.200 -5.256) 5.272 3.771 ( -2.237 -1.292 -5.256) 5.857 3.794 ( 2.863 1.653 -0.157) 3.309 3.883 ( 6.842 3.950 -6.119) 9.993 4.022 ( 12.238 7.066 4.648) 14.876 4.159 ( 8.981 5.185 -0.721) 10.396 4.452 ( -7.858 -4.537 -9.679) 13.267 4.522 ( -0.601 -0.347 10.145) 10.169 4.600 ( -2.036 -1.175 0.671) 2.445 4.696 ( 6.892 3.979 2.233) 8.266 4.987 ( -12.469 -7.199 -2.932) 14.694 5.099 ( -4.198 -2.424 2.214) 5.329 5.172 ( -22.323 -12.888 -0.441) 25.780 5.276 ( 0.136 0.078 1.883) 1.890 5.451 ( -5.113 -2.952 0.691) 5.944 5.492 ( 1.653 0.954 2.988) 3.546 5.785 ( -3.981 -2.299 -10.532) 11.491 5.823 ( -5.289 -3.054 5.400) 8.152 5.985 ( -0.726 -0.419 -0.617) 1.041 6.118 ( 7.746 4.472 1.670) 9.099 6.285 ( 2.962 1.710 5.053) 6.102 6.358 ( -4.416 -2.549 -12.791) 13.770 6.713 ( -3.409 -1.968 -5.380) 6.666 6.756 ( 2.593 1.497 15.116) 15.409 6.782 ( -0.492 -0.284 -1.225) 1.351 7.031 ( -0.582 -0.336 -9.639) 9.662 7.239 ( 4.003 2.311 -0.891) 4.707 7.478 ( 6.550 3.781 4.939) 9.033 7.494 ( 1.909 1.102 10.366) 10.598 7.718 ( -5.049 -2.915 5.767) 8.201 8.012 ( 1.127 0.651 -1.110) 1.710 8.328 ( 11.900 6.870 -0.151) 13.742 8.374 ( 3.455 1.995 -10.132) 10.889 8.424 ( 1.742 1.006 1.613) 2.579 8.571 ( -3.414 -1.971 -3.495) 5.268 8.743 ( 2.508 1.448 -7.059) 7.630 8.907 ( -4.540 -2.621 -8.948) 10.371 9.007 ( 10.100 5.831 9.569) 15.085 9.688 ( -8.456 -4.882 13.317) 16.513 9.953 ( -1.082 -0.624 1.341) 1.833 9.969 ( 7.689 4.439 -3.373) 9.497 10.212 ( -0.246 -0.142 -7.545) 7.550 10.321 ( 6.096 3.520 0.467) 7.055 10.361 ( 3.521 2.033 5.140) 6.554 10.935 ( -2.234 -1.290 3.605) 4.433 11.076 ( -0.172 -0.099 -0.010) 0.199 11.130 ( 2.496 1.441 -2.739) 3.976 11.239 ( 2.770 1.599 -2.044) 3.796 11.501 ( -1.930 -1.114 0.891) 2.400 11.559 ( -3.218 -1.858 -0.310) 3.729 11.693 ( 8.537 4.929 3.234) 10.375 12.009 ( 2.759 1.593 -7.856) 8.478 12.456 ( -2.130 -1.230 5.745) 6.249 12.691 ( -3.593 -2.074 -2.407) 4.797 13.142 ( -3.231 -1.865 1.487) 4.016 13.179 ( -4.602 -2.657 -1.656) 5.566 14.554 ( 3.529 2.037 1.698) 4.414 14.569 ( 2.330 1.345 -1.161) 2.931 14.980 ( 4.225 2.439 0.257) 4.885 15.137 ( 3.013 1.739 -0.094) 3.480 16.280 ( -2.624 -1.515 -1.811) 3.530 16.290 ( -1.487 -0.859 1.799) 2.487 16.916 ( 4.673 2.698 -2.303) 5.867 17.019 ( 8.269 4.774 3.900) 10.314 17.437 ( 1.281 0.739 -0.891) 1.726 17.559 ( 6.213 3.587 -1.023) 7.247 18.322 ( -13.889 -8.019 3.134) 16.341 18.460 ( -17.145 -9.899 -3.729) 20.146 19.138 ( 4.953 2.860 5.068) 7.642 19.368 ( 2.646 1.528 -3.215) 4.435 19.651 ( -5.757 -3.324 -1.734) 6.870 19.717 ( -5.381 -3.107 -0.185) 6.216 21.486 ( -15.614 -9.014 6.671) 19.224 21.738 ( -5.955 -3.438 -6.329) 9.346 22.340 ( -3.065 -1.769 2.138) 4.134 22.501 ( 6.592 3.806 -5.502) 9.392 22.710 ( 7.273 4.199 6.302) 10.499 22.899 ( 9.362 5.405 -3.003) 11.220 ======================= Grid point 141 (25/58) ======================= q-point: (-0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -9.749 -5.629 16.222) 19.745 1.665 ( -9.843 -5.683 0.775) 11.392 1.822 ( -0.139 -0.080 0.607) 0.628 2.010 ( -12.451 -7.188 7.211) 16.084 2.251 ( 2.468 1.425 0.592) 2.910 2.288 ( 5.520 3.187 3.393) 7.221 2.716 ( -2.934 -1.694 9.809) 10.378 2.736 ( 2.276 1.314 -16.867) 17.070 3.065 ( -11.404 -6.584 13.449) 18.823 3.152 ( -1.845 -1.065 -12.423) 12.604 3.279 ( 1.321 0.763 -3.928) 4.214 3.348 ( -10.841 -6.259 -11.863) 17.246 3.563 ( 4.616 2.665 9.637) 11.013 3.810 ( 2.580 1.490 2.404) 3.828 3.823 ( -3.088 -1.783 -7.935) 8.700 4.032 ( -19.610 -11.322 -1.590) 22.700 4.081 ( 8.656 4.997 -3.775) 10.684 4.221 ( 0.670 0.387 -1.241) 1.462 4.320 ( -6.742 -3.893 -3.955) 8.732 4.475 ( -4.539 -2.620 10.670) 11.887 4.566 ( -8.446 -4.876 -3.655) 10.414 4.634 ( -5.565 -3.213 2.166) 6.781 4.714 ( 7.715 4.454 3.018) 9.406 4.904 ( 5.808 3.353 -3.843) 7.730 5.037 ( -4.482 -2.588 6.544) 8.343 5.329 ( -5.712 -3.298 2.229) 6.962 5.437 ( 8.747 5.050 -0.458) 10.111 5.562 ( 2.999 1.732 5.947) 6.882 5.636 ( -7.403 -4.274 -8.751) 12.233 5.840 ( 7.838 4.525 2.792) 9.471 5.965 ( -1.593 -0.920 0.968) 2.078 6.236 ( 2.563 1.480 -1.768) 3.448 6.250 ( -3.780 -2.182 -9.483) 10.439 6.371 ( 4.100 2.367 6.269) 7.856 6.641 ( -2.949 -1.703 -10.353) 10.899 6.701 ( -3.089 -1.783 10.997) 11.561 6.863 ( 1.436 0.829 -3.486) 3.860 7.013 ( -0.976 -0.563 -14.235) 14.280 7.296 ( 1.871 1.080 12.097) 12.288 7.464 ( -6.900 -3.984 10.779) 13.404 7.692 ( 15.301 8.834 -1.971) 17.777 7.703 ( 3.769 2.176 8.733) 9.757 7.868 ( -9.640 -5.566 -8.540) 14.030 8.291 ( -11.041 -6.374 -6.763) 14.432 8.422 ( -1.444 -0.834 3.259) 3.661 8.508 ( 1.449 0.836 -8.679) 8.839 8.791 ( 8.625 4.980 2.595) 10.292 8.843 ( 8.060 4.654 -0.864) 9.347 8.944 ( 17.633 10.180 -2.683) 20.537 9.265 ( 10.315 5.955 10.002) 15.553 9.476 ( -8.235 -4.754 14.548) 17.380 9.921 ( -1.831 -1.057 -8.488) 8.747 10.175 ( 8.314 4.800 -4.425) 10.571 10.299 ( 7.684 4.437 -6.913) 11.248 10.403 ( 1.045 0.603 4.252) 4.420 10.411 ( 1.271 0.734 3.509) 3.804 10.867 ( -3.576 -2.065 2.292) 4.723 10.953 ( -6.793 -3.922 -2.037) 8.104 11.293 ( 7.600 4.388 -4.382) 9.809 11.319 ( 2.746 1.585 3.254) 4.543 11.458 ( -2.601 -1.502 0.565) 3.056 11.521 ( 3.594 2.075 1.882) 4.557 11.931 ( 11.289 6.518 -1.400) 13.110 12.132 ( 6.986 4.033 -5.434) 9.726 12.373 ( -5.295 -3.057 6.190) 8.701 12.550 ( -8.222 -4.747 -2.368) 9.785 13.064 ( -3.451 -1.992 0.515) 4.018 13.075 ( -4.019 -2.320 -0.361) 4.655 14.427 ( -15.281 -8.823 2.501) 17.822 14.462 ( -11.979 -6.916 -2.572) 14.069 15.248 ( 19.349 11.171 0.636) 22.351 15.318 ( 14.051 8.112 -0.154) 16.225 16.365 ( 8.294 4.789 -1.386) 9.677 16.373 ( 7.620 4.399 1.426) 8.913 16.979 ( 1.166 0.673 -1.653) 2.132 17.100 ( -1.029 -0.594 2.707) 2.957 17.537 ( 6.797 3.924 1.195) 7.939 17.709 ( 5.454 3.149 -1.562) 6.489 18.001 ( -12.572 -7.258 0.172) 14.518 18.058 ( -16.266 -9.391 -1.972) 18.885 19.206 ( 0.865 0.499 3.910) 4.035 19.362 ( -3.088 -1.783 -0.673) 3.628 19.497 ( -7.022 -4.054 -2.884) 8.606 19.554 ( -8.176 -4.720 0.318) 9.446 21.065 ( -21.076 -12.168 9.970) 26.300 21.559 ( -9.609 -5.548 -15.234) 18.846 22.319 ( 1.239 0.715 7.129) 7.271 22.606 ( 3.876 2.238 -7.402) 8.650 22.932 ( 10.049 5.802 5.896) 13.016 23.100 ( 7.638 4.410 -2.607) 9.197 ======================= Grid point 142 (26/58) ======================= q-point: (-0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -12.548 -7.245 30.697) 33.944 1.441 ( -23.783 -13.731 11.989) 29.965 1.453 ( -8.772 -5.065 -14.020) 17.297 1.937 ( -1.953 -1.128 -7.730) 8.053 2.326 ( 0.350 0.202 1.972) 2.013 2.483 ( -1.899 -1.096 3.309) 3.969 2.508 ( -17.437 -10.067 11.320) 23.098 2.780 ( -9.351 -5.399 20.757) 23.397 2.827 ( 2.045 1.180 -8.426) 8.750 2.879 ( -16.854 -9.731 5.681) 20.274 2.958 ( -7.619 -4.399 -12.600) 15.367 3.188 ( -5.566 -3.213 -9.958) 11.852 3.690 ( 2.783 1.607 10.156) 10.653 3.736 ( -2.843 -1.641 -13.550) 13.942 3.847 ( -8.659 -4.999 -16.758) 19.514 3.872 ( -5.753 -3.321 -13.354) 14.914 3.881 ( 5.532 3.194 -2.612) 6.901 4.233 ( 3.602 2.080 3.558) 5.473 4.277 ( 4.129 2.384 -7.186) 8.624 4.394 ( -4.412 -2.547 16.615) 17.378 4.505 ( -6.688 -3.862 9.183) 11.999 4.577 ( 2.132 1.231 5.764) 6.267 4.909 ( -3.768 -2.175 2.776) 5.161 4.974 ( -0.840 -0.485 -10.873) 10.916 5.082 ( 14.693 8.483 2.528) 17.154 5.187 ( -5.020 -2.898 8.483) 10.274 5.500 ( -3.074 -1.775 -9.568) 10.205 5.580 ( 3.774 2.179 1.154) 4.508 5.701 ( 7.184 4.148 5.634) 10.028 5.874 ( -4.355 -2.514 2.513) 5.621 6.152 ( 15.428 8.908 0.631) 17.826 6.216 ( 1.909 1.102 -5.838) 6.240 6.262 ( 0.236 0.136 -0.100) 0.290 6.429 ( -1.973 -1.139 1.613) 2.792 6.563 ( -3.823 -2.207 -12.997) 13.726 6.628 ( 0.535 0.309 12.661) 12.676 6.879 ( 0.275 0.159 -5.060) 5.070 6.971 ( -3.235 -1.868 -15.605) 16.046 7.291 ( -6.767 -3.907 7.841) 11.070 7.324 ( -0.207 -0.119 11.246) 11.249 7.618 ( -11.069 -6.391 -12.362) 17.782 7.851 ( 10.459 6.038 24.004) 26.871 7.959 ( -15.706 -9.068 -6.285) 19.194 8.200 ( 26.912 15.538 -5.937) 31.637 8.387 ( -1.087 -0.628 2.829) 3.095 8.488 ( -1.376 -0.794 -5.007) 5.253 8.772 ( -0.766 -0.442 7.746) 7.797 9.211 ( -9.156 -5.286 22.009) 24.416 9.310 ( 21.550 12.442 1.016) 24.905 9.446 ( 22.051 12.731 -0.861) 25.477 9.560 ( 9.596 5.540 -2.696) 11.404 9.892 ( 0.123 0.071 -15.036) 15.037 10.277 ( 0.805 0.465 -4.837) 4.926 10.380 ( -2.034 -1.174 5.634) 6.103 10.483 ( 4.694 2.710 7.228) 9.034 10.529 ( 9.921 5.728 -5.955) 12.911 10.766 ( -4.813 -2.779 0.760) 5.610 10.821 ( -4.241 -2.448 -1.010) 5.000 11.297 ( -2.043 -1.179 2.991) 3.809 11.363 ( -2.217 -1.280 -3.074) 4.001 11.550 ( 7.621 4.400 2.953) 9.282 11.673 ( 7.154 4.130 -0.283) 8.265 12.106 ( -2.987 -1.724 -6.062) 6.974 12.162 ( -9.474 -5.470 6.033) 12.493 12.342 ( 7.333 4.234 -0.557) 8.486 12.425 ( 4.960 2.864 -1.993) 6.064 12.976 ( -4.235 -2.445 -0.572) 4.923 12.988 ( -3.623 -2.092 0.783) 4.256 13.909 ( -27.338 -15.784 7.414) 32.426 14.102 ( -16.940 -9.780 -8.252) 21.230 15.754 ( 22.186 12.809 1.611) 25.669 15.838 ( 30.527 17.625 -0.728) 35.257 16.584 ( 9.170 5.294 0.504) 10.600 16.587 ( 9.488 5.478 -0.495) 10.967 16.988 ( -0.292 -0.169 -2.051) 2.079 17.022 ( -4.739 -2.736 2.329) 5.947 17.637 ( -10.470 -6.045 1.724) 12.212 17.643 ( -3.847 -2.221 -1.710) 4.760 17.806 ( 0.856 0.494 2.162) 2.377 17.911 ( 4.025 2.324 -3.662) 5.917 19.186 ( -2.273 -1.313 2.317) 3.501 19.245 ( -6.103 -3.524 0.806) 7.093 19.334 ( -6.918 -3.994 -2.869) 8.487 19.354 ( -8.467 -4.888 0.379) 9.784 20.461 ( -31.504 -18.189 11.718) 38.219 21.254 ( -18.012 -10.399 -30.720) 37.098 22.400 ( 5.834 3.368 12.003) 13.764 22.711 ( 5.207 3.006 -5.591) 8.210 23.142 ( 7.572 4.372 3.314) 9.351 23.250 ( 5.163 2.981 -1.841) 6.239 ======================= Grid point 143 (27/58) ======================= q-point: (-0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -24.457 -14.120 15.915) 32.416 0.947 ( -18.034 -10.412 26.187) 33.458 1.288 ( -4.364 -2.520 -23.154) 23.696 1.515 ( -40.070 -23.135 28.912) 54.559 1.686 ( -19.537 -11.280 -16.839) 28.151 2.266 ( -2.901 -1.675 17.898) 18.209 2.485 ( -9.388 -5.420 23.927) 26.268 2.689 ( -4.542 -2.622 -9.980) 11.274 2.734 ( 0.766 0.442 4.146) 4.239 2.890 ( 14.531 8.390 16.509) 23.539 3.039 ( 2.834 1.636 -12.603) 13.021 3.097 ( 2.188 1.263 -18.881) 19.049 3.471 ( -10.960 -6.328 -20.051) 23.711 3.695 ( -0.081 -0.047 -37.103) 37.103 3.888 ( 7.688 4.439 15.992) 18.291 3.923 ( 3.241 1.871 4.603) 5.932 4.064 ( 6.676 3.855 -2.598) 8.135 4.212 ( -5.192 -2.998 19.234) 20.147 4.294 ( -3.421 -1.975 7.937) 8.866 4.347 ( -5.763 -3.327 8.995) 11.189 4.412 ( 6.905 3.986 -11.054) 13.629 4.594 ( -0.400 -0.231 -3.459) 3.489 4.797 ( -6.365 -3.675 -6.292) 9.676 4.853 ( -9.264 -5.349 -15.990) 19.239 5.087 ( -0.772 -0.446 29.761) 29.774 5.375 ( 6.798 3.925 0.195) 7.852 5.536 ( 5.892 3.402 -7.881) 10.412 5.598 ( -2.675 -1.545 7.479) 8.092 5.773 ( -4.129 -2.384 1.334) 4.951 5.832 ( 3.995 2.307 -3.861) 6.016 6.260 ( -0.503 -0.291 3.053) 3.108 6.291 ( 4.841 2.795 3.037) 6.362 6.338 ( -1.421 -0.820 -2.996) 3.416 6.428 ( -2.321 -1.340 -12.746) 13.025 6.584 ( 11.273 6.509 -1.752) 13.135 6.752 ( 6.266 3.618 6.723) 9.877 6.858 ( -1.048 -0.605 1.164) 1.678 6.862 ( -2.679 -1.547 -7.266) 7.897 7.177 ( -3.401 -1.964 -1.995) 4.405 7.280 ( -2.965 -1.712 2.876) 4.472 7.357 ( -10.503 -6.064 -10.184) 15.836 7.552 ( -18.260 -10.542 -5.482) 21.785 8.368 ( 30.044 17.346 31.255) 46.694 8.376 ( 0.314 0.182 2.003) 2.035 8.496 ( 12.311 7.108 12.447) 18.895 8.755 ( 2.831 1.634 12.937) 13.343 9.004 ( 36.237 20.922 -6.954) 42.417 9.026 ( -3.818 -2.204 27.702) 28.051 9.661 ( 1.633 0.943 -12.269) 12.413 9.754 ( 14.710 8.493 -9.602) 19.512 9.974 ( 19.209 11.090 0.044) 22.181 10.002 ( 12.075 6.972 -4.772) 14.737 10.304 ( 2.160 1.247 1.267) 2.797 10.332 ( -1.481 -0.855 5.598) 5.854 10.550 ( 0.193 0.111 5.764) 5.768 10.671 ( -2.767 -1.597 1.438) 3.503 10.677 ( -1.323 -0.764 -2.677) 3.082 10.738 ( -1.671 -0.965 -0.857) 2.111 11.258 ( -5.889 -3.400 -1.114) 6.891 11.265 ( -1.054 -0.609 -0.504) 1.318 11.442 ( -28.849 -16.656 2.280) 33.390 11.660 ( -6.194 -3.576 -2.260) 7.501 11.912 ( -6.182 -3.569 5.840) 9.223 12.130 ( 10.168 5.870 -5.413) 12.928 12.538 ( 9.222 5.324 4.406) 11.524 12.687 ( 11.121 6.420 -4.023) 13.456 12.865 ( -5.012 -2.893 -0.557) 5.814 12.898 ( -4.373 -2.525 -0.562) 5.081 13.270 ( -23.307 -13.456 9.935) 28.688 13.697 ( -19.069 -11.010 -19.296) 29.278 16.352 ( 30.568 17.649 11.365) 37.082 16.637 ( 33.314 19.234 -2.181) 38.529 16.761 ( 5.452 3.148 0.092) 6.296 16.770 ( 5.715 3.300 -0.051) 6.600 16.933 ( 1.273 0.735 1.100) 1.835 16.954 ( -2.318 -1.338 -1.021) 2.865 17.432 ( -5.745 -3.317 1.770) 6.866 17.500 ( -4.538 -2.620 -1.974) 5.599 17.941 ( 6.061 3.499 1.541) 7.166 18.002 ( 3.011 1.738 -1.275) 3.703 19.115 ( -4.555 -2.630 0.841) 5.326 19.120 ( -2.800 -1.617 1.137) 3.428 19.182 ( -5.543 -3.200 -1.597) 6.597 19.183 ( -5.619 -3.244 -0.286) 6.494 19.585 ( -41.734 -24.095 8.046) 48.858 20.534 ( -52.115 -30.088 -59.402) 84.557 22.605 ( 11.829 6.830 13.807) 19.422 22.835 ( 4.706 2.717 -3.107) 6.259 23.277 ( 3.912 2.259 1.707) 4.829 23.340 ( 2.536 1.464 -1.175) 3.156 ======================= Grid point 145 (28/58) ======================= q-point: ( 0.09 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 1.099 15.057 29.715) 33.330 1.230 ( 6.670 27.130 9.563) 29.529 1.561 ( 19.898 5.394 -14.111) 24.983 1.906 ( 4.147 9.395 -10.089) 14.396 2.241 ( -4.396 5.152 11.238) 13.121 2.338 ( 24.575 34.614 10.793) 43.802 2.551 ( -7.829 -11.067 6.966) 15.241 2.593 ( -1.824 6.464 9.191) 11.384 2.821 ( 5.780 7.026 6.517) 11.191 2.915 ( 10.693 13.574 6.841) 18.584 3.045 ( 6.908 -7.999 -15.134) 18.459 3.175 ( 6.011 6.284 -7.442) 11.446 3.572 ( -3.665 9.179 -14.244) 17.337 3.688 ( -8.089 -3.101 4.451) 9.740 3.736 ( 1.068 8.480 -33.457) 34.532 3.892 ( 0.381 -5.379 1.067) 5.497 3.981 ( 0.147 -4.868 1.534) 5.106 4.228 ( -6.460 -1.463 5.895) 8.867 4.293 ( -5.477 -1.022 -2.605) 6.150 4.338 ( 8.440 -0.359 11.050) 13.909 4.468 ( 0.819 -1.813 7.695) 7.948 4.580 ( 0.258 3.355 2.176) 4.007 4.911 ( 1.963 8.495 -8.673) 12.298 4.998 ( 5.546 -0.600 5.802) 8.049 5.144 ( 3.044 6.425 6.997) 9.975 5.209 ( -4.171 -12.074 1.508) 12.863 5.432 ( -5.081 -2.462 -9.779) 11.292 5.657 ( 3.398 -1.639 3.737) 5.310 5.749 ( -1.461 -1.366 0.879) 2.184 5.809 ( -2.489 3.299 2.640) 4.904 6.142 ( -4.722 -4.423 0.210) 6.473 6.225 ( -4.396 0.411 2.466) 5.058 6.313 ( -4.514 -12.185 -4.470) 13.741 6.449 ( 3.651 0.767 3.576) 5.168 6.600 ( 0.109 -3.395 -0.032) 3.397 6.627 ( 2.001 -1.448 -4.752) 5.356 6.867 ( -4.594 5.824 -13.841) 15.703 6.938 ( 6.305 0.935 -4.550) 7.831 7.240 ( 2.050 5.152 4.684) 7.258 7.396 ( 8.479 2.537 10.355) 13.622 7.564 ( 8.304 10.909 -12.568) 18.599 7.789 ( 2.229 15.847 -5.928) 17.066 7.864 ( -14.486 -14.769 28.544) 35.252 8.370 ( -0.660 -0.172 1.418) 1.574 8.419 ( -13.877 -28.977 -4.582) 32.453 8.493 ( 1.779 1.279 -3.968) 4.533 8.864 ( 8.885 -2.046 13.506) 16.296 9.143 ( 3.109 9.905 22.023) 24.348 9.301 ( -14.721 -15.958 -2.857) 21.898 9.599 ( -14.072 -19.377 -1.409) 23.988 9.699 ( -9.081 -9.681 -7.955) 15.475 9.898 ( 3.946 -4.500 -13.498) 14.766 10.219 ( -2.809 -4.508 5.734) 7.816 10.411 ( 0.835 -0.114 -2.110) 2.272 10.476 ( -6.966 0.327 3.594) 7.845 10.609 ( 3.219 -7.428 -0.266) 8.099 10.752 ( 2.855 3.081 0.740) 4.265 10.807 ( 0.553 5.915 -1.365) 6.095 11.242 ( -2.756 0.324 2.172) 3.524 11.340 ( 2.791 3.773 -1.168) 4.837 11.643 ( 0.346 -7.944 0.768) 7.988 11.738 ( -1.092 -4.522 -0.885) 4.736 12.000 ( -1.806 13.701 3.938) 14.369 12.134 ( 10.929 9.822 -1.552) 14.776 12.391 ( -3.813 -6.837 0.353) 7.837 12.466 ( -8.297 -14.426 -3.297) 16.966 12.915 ( 2.347 3.389 1.678) 4.451 12.995 ( 2.275 4.482 -1.949) 5.391 13.697 ( 13.416 30.273 6.996) 33.844 14.040 ( 12.759 15.608 -8.919) 22.044 15.894 ( -14.342 -27.321 4.802) 31.228 16.051 ( -18.076 -29.113 -2.556) 34.363 16.625 ( -5.793 -9.204 0.445) 10.885 16.645 ( -4.453 -8.703 -0.463) 9.787 16.960 ( 0.379 5.171 2.132) 5.606 17.076 ( 5.143 2.750 -3.108) 6.608 17.493 ( 1.628 6.407 2.393) 7.031 17.598 ( 5.099 6.408 -2.376) 8.526 17.804 ( -5.253 -8.217 2.828) 10.154 17.936 ( -2.530 -4.659 -3.211) 6.198 19.095 ( 0.935 0.569 2.640) 2.857 19.197 ( 1.226 4.186 -1.866) 4.745 19.370 ( 8.388 12.439 0.534) 15.013 19.401 ( 7.231 13.634 -0.763) 15.452 20.220 ( 18.684 33.477 11.498) 40.025 21.126 ( 13.530 21.989 -37.527) 45.550 22.435 ( -4.576 -8.015 13.764) 16.572 22.747 ( -3.093 -5.162 -5.160) 7.927 23.186 ( -3.806 -6.652 2.776) 8.151 23.280 ( -2.595 -4.506 -1.638) 5.452 ======================= Grid point 146 (29/58) ======================= q-point: ( 0.18 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 8.522 9.778 23.481) 26.825 1.627 ( 6.905 22.631 -0.851) 23.677 1.877 ( 6.810 0.095 -0.736) 6.850 2.078 ( 9.650 4.135 3.514) 11.071 2.187 ( -0.660 -3.871 -1.753) 4.300 2.332 ( -1.419 -1.483 -3.673) 4.207 2.481 ( -9.211 2.977 6.216) 11.504 2.684 ( -0.856 1.442 7.515) 7.699 3.062 ( 5.598 -7.096 -6.858) 11.346 3.217 ( 6.604 7.607 -3.502) 10.665 3.373 ( 5.078 4.009 -4.254) 7.743 3.404 ( -0.105 5.236 2.173) 5.670 3.494 ( 20.281 13.561 9.515) 26.187 3.739 ( 1.690 6.702 -13.828) 15.460 3.855 ( 7.096 0.552 -1.444) 7.262 3.955 ( 4.965 13.297 -8.397) 16.492 3.980 ( -0.590 2.554 2.398) 3.553 4.138 ( 4.218 4.891 -7.616) 9.985 4.182 ( -6.105 0.238 -2.875) 6.752 4.310 ( -9.030 -5.778 9.100) 14.062 4.468 ( 8.555 -7.484 3.252) 11.823 4.704 ( 4.054 5.217 2.377) 7.021 4.877 ( -9.228 -2.300 0.472) 9.523 4.944 ( -2.672 -12.008 -3.231) 12.719 5.098 ( 1.684 -0.480 18.812) 18.894 5.212 ( -3.809 -3.886 -5.140) 7.486 5.436 ( 5.539 6.587 -6.260) 10.642 5.656 ( 1.391 -5.224 -8.427) 10.012 5.760 ( -3.678 10.861 4.094) 12.175 5.820 ( 2.927 0.810 6.025) 6.747 6.065 ( -3.378 -3.527 -1.993) 5.275 6.112 ( 0.103 -4.799 -4.365) 6.488 6.166 ( -6.100 -2.405 3.204) 7.298 6.441 ( 0.880 -3.156 10.373) 10.878 6.588 ( -0.567 6.054 3.432) 6.982 6.669 ( -0.051 -1.293 -11.928) 11.998 6.822 ( -4.232 1.736 -13.771) 14.511 7.071 ( 6.676 -1.168 -4.831) 8.323 7.338 ( 3.310 3.848 8.110) 9.568 7.542 ( -4.151 -1.935 14.053) 14.781 7.601 ( 5.667 -0.829 15.152) 16.199 7.808 ( 5.473 1.820 -10.097) 11.628 7.948 ( -2.227 3.851 -7.238) 8.496 7.982 ( -5.328 -2.123 -6.033) 8.324 8.385 ( 0.382 1.746 1.364) 2.248 8.562 ( 2.796 2.034 -7.266) 8.046 8.854 ( -12.704 -20.260 2.444) 24.038 8.987 ( 2.877 -8.784 4.483) 10.273 9.176 ( -9.545 -9.050 5.445) 14.236 9.318 ( -2.783 8.145 12.688) 15.332 9.407 ( -9.743 3.176 -2.115) 10.463 9.943 ( 6.609 -7.892 -7.450) 12.707 10.111 ( -3.494 -4.789 1.214) 6.051 10.312 ( -8.638 -2.732 -5.197) 10.444 10.399 ( -2.318 -1.636 1.856) 3.391 10.577 ( -1.694 -0.345 0.026) 1.729 10.853 ( 1.960 5.260 0.804) 5.671 10.909 ( 4.870 5.567 -0.677) 7.427 11.195 ( -1.224 -2.068 1.453) 2.809 11.387 ( 1.476 -3.158 -0.360) 3.504 11.504 ( -6.821 -9.063 -0.136) 11.343 11.606 ( -3.444 0.932 0.807) 3.658 12.069 ( -1.107 0.753 -4.489) 4.685 12.142 ( -11.761 -12.534 -0.564) 17.197 12.322 ( 1.809 -0.071 4.272) 4.640 12.446 ( 9.673 7.393 -1.622) 12.282 13.017 ( 4.863 2.986 1.744) 5.967 13.064 ( 1.373 3.946 -1.722) 4.519 14.228 ( 16.042 18.368 3.017) 24.573 14.396 ( 9.912 12.230 -3.823) 16.200 15.369 ( -13.673 -22.062 5.262) 26.483 15.511 ( -18.717 -15.111 -3.930) 24.374 16.401 ( -7.576 -9.631 0.616) 12.269 16.466 ( -5.797 -7.109 -0.556) 9.189 17.007 ( -0.474 3.514 0.016) 3.545 17.138 ( -0.780 3.082 0.060) 3.180 17.608 ( -0.390 -7.109 3.219) 7.813 17.653 ( 2.669 -1.727 0.269) 3.191 17.834 ( 13.265 6.759 -1.546) 14.968 17.852 ( 1.212 -2.889 -3.264) 4.524 19.122 ( 2.524 -2.614 4.200) 5.554 19.276 ( 3.652 1.069 -3.201) 4.972 19.632 ( 2.180 20.997 1.010) 21.134 19.674 ( 3.124 20.427 -1.176) 20.698 20.809 ( 19.317 16.315 10.595) 27.415 21.471 ( 10.084 8.228 -20.732) 24.479 22.312 ( -1.941 -4.853 10.862) 12.054 22.642 ( -3.918 -3.141 -7.455) 8.988 23.015 ( -6.794 -8.189 4.860) 11.698 23.157 ( -5.179 -6.263 -2.367) 8.465 ======================= Grid point 147 (30/58) ======================= q-point: ( 0.27 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 8.820 5.986 12.569) 16.481 1.789 ( -3.445 5.453 -2.448) 6.899 1.928 ( 2.831 -2.214 6.754) 7.651 2.101 ( -2.551 4.199 3.803) 6.213 2.288 ( 4.162 6.932 1.492) 8.222 2.376 ( -2.752 6.558 6.333) 9.523 2.556 ( 16.098 0.189 -9.515) 18.700 2.648 ( -1.421 -1.301 1.621) 2.518 3.016 ( -2.935 -4.637 0.403) 5.502 3.303 ( 0.167 3.005 -3.935) 4.954 3.381 ( 4.504 -1.509 -15.074) 15.805 3.470 ( -0.769 -0.210 2.892) 2.999 3.587 ( -5.661 -6.228 10.281) 13.287 3.813 ( 0.396 -1.190 -10.392) 10.468 3.833 ( -1.670 -6.594 -1.577) 6.982 3.994 ( -5.625 1.635 0.611) 5.889 4.060 ( -4.900 -3.935 2.710) 6.844 4.116 ( -0.064 -0.526 1.463) 1.556 4.288 ( -5.104 0.032 1.473) 5.312 4.477 ( 10.026 -2.281 2.728) 10.638 4.596 ( 14.027 8.497 -4.151) 16.917 4.750 ( 3.179 -5.320 0.328) 6.206 4.776 ( 5.606 10.644 1.362) 12.107 4.961 ( 11.731 11.163 -2.099) 16.329 5.058 ( -6.518 -5.778 0.165) 8.712 5.158 ( 5.666 1.038 6.804) 8.915 5.518 ( -1.383 -1.634 -1.524) 2.627 5.628 ( 1.735 -3.372 -4.848) 6.155 5.831 ( -1.340 -2.851 4.538) 5.524 5.852 ( -1.836 9.459 -0.420) 9.645 6.033 ( 1.549 3.058 -1.666) 3.811 6.059 ( -3.082 -0.383 4.422) 5.404 6.113 ( 1.828 0.968 -4.962) 5.376 6.494 ( 4.541 0.668 5.317) 7.024 6.596 ( -2.495 5.042 -3.417) 6.582 6.691 ( 2.020 1.421 -0.222) 2.479 6.763 ( -2.599 0.115 -11.808) 12.092 7.084 ( -0.828 -5.675 6.020) 8.314 7.373 ( -1.737 -1.238 -4.195) 4.707 7.508 ( 0.361 1.076 10.011) 10.076 7.577 ( -8.305 -5.277 4.059) 10.644 7.767 ( 4.946 0.588 12.703) 13.645 8.007 ( 1.915 2.439 -4.111) 5.150 8.100 ( 2.464 2.707 -9.246) 9.944 8.406 ( -1.444 -0.287 -5.059) 5.269 8.505 ( -2.484 -10.486 4.576) 11.707 8.548 ( -5.934 -4.637 -7.784) 10.830 8.765 ( -4.097 -4.924 -7.149) 9.599 9.041 ( -15.014 5.030 -1.221) 15.881 9.228 ( 1.303 -1.511 7.495) 7.756 9.575 ( 7.294 9.197 11.288) 16.285 9.954 ( 2.717 -7.788 1.646) 8.411 9.998 ( -2.779 -4.112 -1.107) 5.085 10.179 ( -3.824 0.070 -7.166) 8.123 10.320 ( -5.012 -1.007 0.737) 5.165 10.523 ( -6.571 3.703 1.028) 7.613 10.916 ( 0.995 2.898 2.231) 3.791 11.042 ( 3.261 3.223 -1.549) 4.839 11.162 ( 1.670 -4.876 -0.434) 5.172 11.251 ( -7.408 -5.706 -0.788) 9.384 11.473 ( 5.975 1.456 0.670) 6.186 11.587 ( -2.954 4.328 2.156) 5.666 11.832 ( -10.631 -8.475 1.990) 13.741 11.993 ( -3.241 -4.457 -10.089) 11.496 12.409 ( 5.974 -0.326 7.386) 9.505 12.617 ( 4.368 2.941 -3.020) 6.071 13.108 ( 2.376 3.286 0.494) 4.085 13.162 ( 4.363 4.555 -0.331) 6.316 14.517 ( -1.820 -0.460 -2.271) 2.946 14.576 ( 7.208 2.694 2.901) 8.223 15.042 ( -3.616 -13.526 3.452) 14.420 15.112 ( -10.857 -8.623 -3.754) 14.364 16.231 ( -2.177 -3.479 0.604) 4.149 16.355 ( -1.754 1.386 -0.314) 2.257 16.994 ( -4.460 0.887 -2.143) 5.027 17.132 ( -3.035 1.951 2.970) 4.673 17.481 ( -1.605 -7.261 3.332) 8.149 17.561 ( -6.626 -6.770 -4.441) 10.462 18.045 ( 16.408 0.941 1.575) 16.510 18.186 ( 18.822 5.016 -2.460) 19.634 19.110 ( 0.432 -5.646 5.372) 7.805 19.318 ( 1.465 -2.427 -4.661) 5.456 19.857 ( -3.333 24.399 1.691) 24.683 19.905 ( -3.546 25.527 -2.030) 25.852 21.245 ( 17.829 6.992 7.873) 20.706 21.684 ( 7.779 3.958 -11.517) 14.450 22.271 ( 2.263 -3.622 7.407) 8.550 22.534 ( -5.357 -3.735 -7.538) 9.973 22.807 ( -6.954 -7.133 6.258) 11.765 22.975 ( -7.216 -7.831 -2.973) 11.056 ======================= Grid point 148 (31/58) ======================= q-point: ( 0.36 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 6.883 6.300 5.918) 11.049 1.784 ( -1.402 5.647 0.959) 5.897 2.000 ( 2.881 -0.092 7.528) 8.061 2.057 ( -0.584 0.522 3.202) 3.296 2.338 ( -4.775 1.133 6.783) 8.373 2.492 ( 0.196 6.825 -7.192) 9.917 2.612 ( 1.960 2.278 -2.695) 4.037 2.737 ( 4.987 -4.086 -1.537) 6.628 3.051 ( 9.676 2.109 -4.919) 11.058 3.250 ( -6.129 -4.061 1.215) 7.452 3.338 ( -9.352 -4.701 1.660) 10.598 3.411 ( -1.375 -6.809 6.484) 9.502 3.503 ( 2.909 1.965 -10.158) 10.748 3.688 ( -1.352 -4.593 1.554) 5.034 3.766 ( -4.138 -2.017 -1.281) 4.779 3.882 ( -3.972 -4.737 1.167) 6.291 4.005 ( -4.501 -1.386 -0.410) 4.728 4.045 ( -2.827 -2.105 -4.259) 5.528 4.209 ( 4.875 -1.387 4.216) 6.593 4.478 ( -1.337 -5.609 -0.543) 5.792 4.716 ( 4.898 -7.650 -3.718) 9.815 4.791 ( -2.495 -5.051 -6.756) 8.797 4.882 ( 3.226 -0.415 10.368) 10.866 5.091 ( 5.881 12.559 3.058) 14.201 5.281 ( 10.904 2.004 -4.042) 11.800 5.362 ( -3.012 -4.258 3.706) 6.398 5.559 ( 11.167 7.685 -2.764) 13.835 5.687 ( 9.986 4.152 -2.373) 11.072 5.754 ( -2.370 -0.399 -1.126) 2.654 5.857 ( -2.283 4.778 -3.299) 6.239 6.015 ( -2.211 -0.736 6.395) 6.807 6.116 ( -0.077 5.625 1.906) 5.940 6.187 ( 2.359 2.974 -0.506) 3.829 6.511 ( -0.334 -2.227 -6.949) 7.305 6.639 ( -4.290 -1.892 -3.062) 5.600 6.724 ( 5.623 7.478 3.259) 9.908 6.833 ( 5.611 3.924 -1.680) 7.050 6.991 ( -1.413 -5.848 10.136) 11.786 7.282 ( -8.136 -2.911 -8.455) 12.089 7.324 ( -5.934 -3.726 0.397) 7.018 7.589 ( -1.765 5.680 12.845) 14.156 7.808 ( 1.033 -5.581 2.882) 6.366 7.953 ( -5.504 -5.020 3.836) 8.379 8.059 ( -1.791 -2.675 4.336) 5.400 8.356 ( -0.291 0.538 -1.987) 2.079 8.469 ( 0.952 4.011 -9.057) 9.951 8.557 ( 4.847 -0.018 -5.497) 7.328 8.714 ( -2.703 0.320 -11.701) 12.013 8.875 ( -9.106 6.086 1.262) 11.025 9.195 ( -3.016 -2.105 -1.281) 3.895 9.757 ( 6.554 2.430 4.857) 8.512 9.898 ( -1.496 -3.368 4.967) 6.184 9.978 ( 1.398 0.247 2.738) 3.085 10.155 ( -1.415 1.607 -3.234) 3.879 10.208 ( -5.365 1.233 -2.297) 5.965 10.442 ( -6.104 1.700 4.366) 7.695 10.944 ( -0.824 0.352 5.599) 5.670 11.070 ( 1.266 -0.536 -0.951) 1.671 11.116 ( -2.395 0.200 -1.676) 2.930 11.176 ( 1.425 -2.136 -3.717) 4.518 11.533 ( -2.840 -3.555 4.571) 6.450 11.624 ( -3.221 -3.492 3.298) 5.783 11.651 ( 2.422 8.107 -1.703) 8.631 11.919 ( -0.531 -2.189 -11.432) 11.652 12.483 ( 3.854 -2.944 7.925) 9.291 12.679 ( 1.954 -0.430 -3.727) 4.230 13.190 ( 2.090 4.741 0.757) 5.236 13.273 ( 2.481 4.591 -0.976) 5.309 14.388 ( -2.713 -8.424 2.049) 9.084 14.565 ( -4.330 -4.619 -0.118) 6.332 14.918 ( 3.338 -12.967 -0.135) 13.391 14.941 ( -1.454 -8.281 -1.435) 8.529 16.292 ( 7.545 5.006 0.709) 9.082 16.457 ( 5.146 11.227 -0.005) 12.351 16.853 ( -10.740 -1.578 -1.797) 11.003 17.030 ( -10.783 -0.598 2.621) 11.113 17.401 ( -1.649 -5.847 -2.333) 6.508 17.422 ( 1.201 -5.433 0.626) 5.600 18.341 ( 16.384 -1.464 3.677) 16.855 18.549 ( 17.707 0.689 -3.578) 18.078 19.022 ( -2.661 -7.071 5.922) 9.599 19.272 ( -2.109 -4.802 -6.162) 8.092 19.996 ( -8.758 23.911 1.884) 25.534 20.059 ( -9.700 27.646 -2.483) 29.404 21.594 ( 16.150 2.800 5.003) 17.137 21.830 ( 4.708 3.470 -5.096) 7.757 22.295 ( 0.650 -7.482 1.285) 7.619 22.372 ( -1.598 -4.697 0.704) 5.011 22.662 ( -3.850 -4.317 1.688) 6.026 22.765 ( -7.282 -6.139 -2.742) 9.911 ======================= Grid point 149 (32/58) ======================= q-point: ( 0.45 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -1.342 1.280 4.017) 4.424 1.908 ( 3.682 4.307 9.566) 11.118 1.982 ( -1.957 2.278 6.422) 7.090 2.037 ( -8.129 4.521 -0.707) 9.329 2.271 ( 0.379 -2.920 -2.355) 3.770 2.481 ( 2.074 1.338 -5.647) 6.163 2.735 ( 5.757 3.882 -3.901) 7.965 2.810 ( 5.022 -2.367 -4.934) 7.427 3.064 ( -7.036 -6.054 7.380) 11.858 3.152 ( -6.990 0.712 3.694) 7.938 3.179 ( -1.324 1.334 2.676) 3.270 3.386 ( 8.276 -7.764 -7.514) 13.610 3.549 ( 2.638 -3.013 -1.475) 4.268 3.674 ( 6.364 0.003 -2.267) 6.755 3.747 ( -3.286 0.702 2.210) 4.022 3.800 ( -4.773 2.178 2.381) 5.761 3.883 ( -0.507 1.089 0.769) 1.426 4.042 ( -1.138 -1.524 -2.907) 3.473 4.306 ( 10.446 -6.592 3.509) 12.841 4.439 ( 2.955 -3.811 -2.779) 5.566 4.624 ( -3.573 -4.498 0.460) 5.763 4.718 ( 0.886 -5.436 -5.885) 8.060 5.018 ( 3.422 3.729 1.122) 5.184 5.131 ( 0.907 -2.396 0.106) 2.565 5.237 ( -5.671 -3.402 4.015) 7.736 5.521 ( 10.257 2.412 -9.052) 13.891 5.659 ( -2.282 1.794 1.737) 3.383 5.730 ( 0.344 0.154 1.245) 1.301 5.813 ( 5.857 3.820 -1.116) 7.081 5.872 ( -9.212 -6.443 7.776) 13.669 6.102 ( 2.484 9.366 -1.705) 9.839 6.114 ( -5.535 2.713 -0.772) 6.212 6.211 ( 0.313 -2.428 3.876) 4.584 6.414 ( -1.657 -6.662 -14.712) 16.235 6.629 ( -0.347 6.877 6.546) 9.501 6.778 ( -1.455 -4.365 1.275) 4.774 6.962 ( 2.330 0.882 7.038) 7.466 7.000 ( 5.106 1.358 2.325) 5.773 7.099 ( -5.116 -2.090 -3.836) 6.727 7.293 ( 1.014 4.659 -7.163) 8.605 7.582 ( -4.075 3.951 12.712) 13.921 7.728 ( -0.905 -3.030 1.318) 3.426 7.882 ( 2.110 -1.800 3.668) 4.599 8.030 ( -0.158 -0.329 6.667) 6.677 8.374 ( 0.637 1.180 1.699) 2.165 8.557 ( -3.106 0.482 -5.773) 6.573 8.600 ( 4.171 4.294 -13.845) 15.083 8.669 ( -1.843 -0.189 -9.181) 9.366 8.849 ( -1.577 6.870 3.872) 8.042 9.104 ( -4.948 -0.943 -7.330) 8.894 9.806 ( -1.523 -6.081 3.390) 7.127 9.893 ( 3.694 2.176 3.225) 5.365 10.019 ( 0.792 4.391 0.926) 4.557 10.088 ( -2.415 0.213 -2.044) 3.171 10.268 ( 1.884 7.659 3.455) 8.611 10.329 ( -5.325 -2.437 4.028) 7.108 10.915 ( 0.490 -2.524 6.170) 6.684 11.089 ( -2.533 5.109 0.299) 5.711 11.147 ( 1.983 1.195 -3.648) 4.320 11.179 ( 0.872 -0.459 -4.437) 4.545 11.430 ( 2.918 -7.963 6.839) 10.895 11.591 ( -2.614 2.959 0.601) 3.994 11.719 ( -3.805 5.838 -0.171) 6.971 11.928 ( 3.147 -2.810 -12.154) 12.866 12.483 ( 0.631 -3.911 8.246) 9.148 12.701 ( 2.075 -1.793 -3.339) 4.321 13.246 ( -1.758 3.975 1.333) 4.546 13.317 ( -2.154 2.571 -1.898) 3.854 14.327 ( 4.719 -5.776 4.174) 8.547 14.476 ( 0.976 -4.288 -2.335) 4.979 14.842 ( 3.693 -9.297 0.976) 10.051 14.916 ( 7.495 -9.402 -2.366) 12.254 16.494 ( 3.343 2.909 2.527) 5.102 16.613 ( -9.766 0.195 -3.372) 10.334 16.719 ( 5.584 11.572 2.603) 13.110 16.794 ( -9.917 1.848 -1.216) 10.161 17.379 ( 3.538 -3.344 0.071) 4.868 17.401 ( 2.022 -4.940 -0.708) 5.384 18.519 ( 6.613 -9.049 5.260) 12.380 18.731 ( 4.825 -9.493 -4.296) 11.482 18.928 ( 0.912 -3.341 5.591) 6.577 19.209 ( 1.526 -1.390 -6.821) 7.127 20.034 ( -13.523 22.191 1.463) 26.028 20.120 ( -14.571 26.301 -2.186) 30.147 21.779 ( 2.161 -4.506 2.395) 5.542 21.927 ( -1.487 2.135 -4.593) 5.279 22.141 ( 4.765 -6.235 7.740) 11.022 22.453 ( 3.994 -8.013 -6.294) 10.944 22.536 ( 2.186 -3.057 4.290) 5.703 22.675 ( -1.772 2.550 -2.304) 3.867 ======================= Grid point 151 (33/58) ======================= q-point: (-0.45 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -4.348 -2.461 4.078) 6.450 1.831 ( -6.168 1.317 0.947) 6.377 1.973 ( -2.730 0.003 9.789) 10.162 2.044 ( -1.798 2.382 3.362) 4.496 2.238 ( -1.152 2.034 -0.075) 2.338 2.604 ( 2.266 0.297 -0.656) 2.378 2.727 ( -4.667 -6.164 -3.353) 8.427 2.874 ( -4.396 -0.089 6.851) 8.141 2.967 ( 4.043 1.997 -5.840) 7.379 3.067 ( 2.005 5.700 -9.097) 10.921 3.243 ( 3.859 -2.372 2.798) 5.325 3.377 ( 2.309 -7.169 -0.293) 7.537 3.632 ( 0.467 0.815 3.747) 3.863 3.725 ( 10.561 -0.203 -5.080) 11.721 3.809 ( 1.121 3.010 1.540) 3.562 3.826 ( 3.529 -1.905 0.260) 4.018 3.857 ( -1.681 4.321 -2.303) 5.177 4.089 ( 7.004 4.513 -0.975) 8.389 4.367 ( 4.223 -8.879 4.481) 10.805 4.514 ( 10.005 -4.636 -1.619) 11.146 4.576 ( -0.838 -2.111 -4.348) 4.906 4.652 ( -2.908 -0.494 0.222) 2.958 5.037 ( 1.236 -1.441 6.078) 6.367 5.119 ( -1.721 -0.761 -0.783) 2.039 5.239 ( 2.204 -0.584 -2.045) 3.063 5.486 ( -19.807 -5.960 1.422) 20.733 5.507 ( -9.689 -4.886 1.916) 11.019 5.607 ( -6.172 -0.823 -1.343) 6.369 5.753 ( -3.205 -4.036 -8.499) 9.939 5.927 ( -2.232 1.038 1.868) 3.090 6.025 ( 6.965 2.949 4.293) 8.697 6.089 ( -6.583 4.905 0.697) 8.239 6.226 ( 2.295 -0.869 2.875) 3.780 6.381 ( -1.197 -2.382 -12.425) 12.708 6.643 ( -0.725 -5.566 3.294) 6.508 6.767 ( 2.073 6.566 5.240) 8.653 6.907 ( -6.028 0.312 5.111) 7.909 7.008 ( 0.608 -2.802 -5.834) 6.500 7.177 ( 5.917 3.156 -4.873) 8.290 7.414 ( 4.988 4.574 0.726) 6.807 7.543 ( -4.038 3.769 12.102) 13.303 7.745 ( 0.242 -1.583 4.267) 4.557 7.934 ( 5.999 1.180 3.496) 7.043 8.126 ( 11.978 0.654 2.781) 12.314 8.365 ( -2.608 -1.515 -2.593) 3.977 8.472 ( -3.982 2.306 -6.242) 7.755 8.614 ( -2.837 -2.526 -8.225) 9.060 8.703 ( 1.939 0.984 -9.952) 10.187 8.966 ( 4.734 10.690 7.479) 13.879 9.018 ( -5.176 2.332 -7.409) 9.334 9.752 ( 0.282 -4.609 4.882) 6.720 9.869 ( -3.551 -1.004 4.272) 5.645 10.004 ( -2.400 1.076 1.883) 3.235 10.209 ( 2.226 -1.908 -0.263) 2.943 10.250 ( 4.841 6.691 -6.186) 10.319 10.381 ( 1.030 6.553 6.499) 9.287 10.923 ( 1.793 -1.418 4.557) 5.098 11.079 ( -1.091 0.526 0.345) 1.259 11.150 ( -1.482 -0.163 -3.034) 3.381 11.200 ( 1.579 1.197 -2.468) 3.165 11.529 ( 10.496 -2.137 3.294) 11.206 11.558 ( -3.769 3.140 2.830) 5.663 11.674 ( -6.356 4.686 -0.593) 7.919 11.939 ( 3.356 -4.205 -11.124) 12.357 12.452 ( 0.120 -3.066 7.294) 7.913 12.702 ( -0.083 -2.588 -2.749) 3.776 13.202 ( -5.076 0.338 1.152) 5.216 13.257 ( -5.501 0.344 -1.360) 5.677 14.440 ( 10.851 -0.338 4.025) 11.578 14.510 ( 4.360 -0.055 -2.176) 4.873 14.864 ( 7.420 -8.326 -0.658) 11.172 15.005 ( 10.045 -4.217 -0.839) 10.926 16.352 ( -8.524 -2.375 1.820) 9.034 16.398 ( -11.614 -1.078 -1.128) 11.718 16.879 ( 5.597 7.905 -3.220) 10.207 16.975 ( 6.675 11.060 3.875) 13.487 17.381 ( 2.471 -5.260 -0.984) 5.894 17.454 ( 6.967 -0.914 -0.522) 7.046 18.372 ( -6.735 -13.968 4.537) 16.157 18.536 ( -9.266 -15.695 -4.474) 18.767 19.002 ( 7.294 -1.313 5.215) 9.062 19.290 ( 5.716 -0.580 -5.441) 7.912 19.974 ( -17.391 19.751 1.003) 26.335 20.078 ( -18.323 22.197 -1.599) 28.827 21.597 ( -9.828 -12.348 5.253) 16.633 21.817 ( -6.257 -2.400 -5.262) 8.520 22.303 ( 3.963 -6.224 1.101) 7.460 22.386 ( 8.352 0.563 0.846) 8.414 22.648 ( 4.218 1.407 1.457) 4.679 22.765 ( 9.278 3.195 -2.553) 10.139 ======================= Grid point 152 (34/58) ======================= q-point: (-0.36 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -6.747 -4.456 12.849) 15.182 1.794 ( -5.739 0.765 2.071) 6.149 1.826 ( -1.392 1.035 1.586) 2.350 2.114 ( 1.095 4.187 5.025) 6.632 2.234 ( -0.530 -0.827 -2.438) 2.629 2.360 ( -16.482 -4.253 4.469) 17.599 2.714 ( 1.557 -0.211 -6.184) 6.380 2.751 ( -3.145 -2.425 7.440) 8.434 3.085 ( -4.962 -12.205 2.797) 13.469 3.151 ( 4.951 4.494 -15.308) 16.704 3.236 ( 5.669 6.009 -5.364) 9.850 3.437 ( 5.444 -0.894 4.097) 6.872 3.595 ( -11.291 1.147 -2.120) 11.546 3.800 ( 3.321 3.166 3.396) 5.709 3.823 ( 1.658 0.125 -4.402) 4.706 3.968 ( 10.097 4.775 -5.644) 12.514 4.028 ( 11.566 -2.799 5.124) 12.956 4.246 ( -4.292 -1.185 0.605) 4.493 4.335 ( 2.322 -1.904 0.198) 3.009 4.520 ( -2.386 -2.558 4.704) 5.862 4.551 ( 1.642 -2.493 -0.955) 3.134 4.696 ( 4.860 -4.956 -2.504) 7.379 4.860 ( -19.099 -2.062 -0.794) 19.226 4.925 ( -24.792 -8.243 -3.004) 26.299 5.069 ( 0.307 -1.518 4.714) 4.961 5.235 ( 8.389 -2.361 4.009) 9.592 5.486 ( -2.943 2.303 -1.882) 4.185 5.536 ( -0.520 1.460 -1.678) 2.284 5.684 ( 0.974 0.258 0.479) 1.115 5.897 ( -5.887 5.623 0.256) 8.145 6.016 ( -3.987 2.092 -0.044) 4.503 6.169 ( 1.732 -0.539 -0.913) 2.031 6.219 ( 2.569 -6.606 0.904) 7.145 6.355 ( 0.763 1.769 -2.581) 3.220 6.600 ( 1.780 -3.100 -2.957) 4.639 6.803 ( -5.472 0.002 6.557) 8.541 6.887 ( 0.701 6.631 -2.479) 7.114 6.985 ( 0.654 -3.654 -11.157) 11.758 7.306 ( 3.788 5.226 4.933) 8.124 7.478 ( 1.351 -2.505 9.733) 10.141 7.553 ( 1.525 0.693 4.794) 5.078 7.701 ( -0.789 2.625 5.897) 6.503 7.995 ( -5.141 -0.671 -5.345) 7.447 8.297 ( 3.570 -6.229 -6.777) 9.873 8.417 ( 4.516 -0.486 -0.294) 4.552 8.485 ( 7.576 3.659 -1.507) 8.547 8.561 ( 3.723 0.100 -3.627) 5.199 8.732 ( 4.945 -0.740 -6.339) 8.074 8.965 ( -4.511 6.488 -1.079) 7.976 9.218 ( 8.489 13.110 6.949) 17.095 9.621 ( -10.407 -1.726 13.499) 17.132 9.846 ( 4.153 -8.290 -4.361) 10.246 10.029 ( 4.833 0.877 1.046) 5.022 10.231 ( 4.362 0.892 -5.825) 7.331 10.421 ( 0.954 5.373 -0.354) 5.468 10.447 ( 1.730 5.801 2.097) 6.406 10.903 ( -2.891 -0.902 1.667) 3.457 11.053 ( -4.564 -1.680 -1.073) 4.981 11.152 ( 5.714 -1.567 -0.470) 5.944 11.275 ( 4.910 2.964 -0.818) 5.793 11.507 ( -2.493 3.105 -0.567) 4.022 11.544 ( -5.080 -3.661 3.796) 7.323 11.789 ( 11.678 6.327 -0.127) 13.283 12.018 ( 7.899 -0.263 -8.225) 11.407 12.410 ( -2.222 -2.863 7.131) 7.999 12.626 ( -5.127 -4.024 -2.824) 7.103 13.102 ( -5.000 -1.682 0.471) 5.296 13.161 ( -5.247 0.165 -0.304) 5.258 14.498 ( -3.947 -4.432 -0.954) 6.011 14.635 ( -1.505 3.826 1.708) 4.452 14.931 ( 14.829 -5.938 0.718) 15.990 15.189 ( 12.344 3.957 -1.146) 13.014 16.280 ( 3.027 -0.742 2.470) 3.977 16.305 ( 0.968 2.708 -2.184) 3.611 17.004 ( 0.957 6.010 -2.562) 6.603 17.125 ( 0.258 3.439 3.501) 4.914 17.423 ( 7.560 -1.180 0.991) 7.716 17.594 ( 8.498 0.061 -2.145) 8.764 18.081 ( -9.648 -12.815 2.433) 16.224 18.173 ( -13.090 -14.528 -3.395) 19.848 19.092 ( 4.803 -2.873 4.651) 7.277 19.340 ( 1.748 -3.172 -3.928) 5.343 19.828 ( -19.730 15.949 0.711) 25.380 19.927 ( -20.397 15.395 -1.048) 25.576 21.258 ( -14.639 -12.149 8.534) 20.850 21.662 ( -7.671 -4.147 -11.996) 14.830 22.271 ( 2.079 -3.833 6.812) 8.088 22.557 ( 5.291 1.819 -7.833) 9.626 22.791 ( 10.191 3.159 6.817) 12.661 22.976 ( 10.344 2.329 -2.822) 10.972 ======================= Grid point 153 (35/58) ======================= q-point: (-0.27 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -12.047 -9.274 26.610) 30.647 1.688 ( -12.381 7.901 -5.926) 15.838 1.761 ( -19.262 -5.491 3.857) 20.398 1.960 ( -3.335 1.820 -3.333) 5.054 2.251 ( 5.904 -2.274 1.617) 6.530 2.340 ( 7.320 0.905 1.035) 7.448 2.663 ( -2.525 -5.167 8.981) 10.665 2.750 ( -1.004 -4.824 4.425) 6.623 2.902 ( -1.720 1.822 -8.091) 8.470 3.158 ( -9.723 2.197 -5.640) 11.453 3.297 ( -20.641 2.813 1.752) 20.906 3.332 ( -12.996 2.183 -6.338) 14.623 3.552 ( 7.316 -4.391 8.439) 12.001 3.761 ( -4.907 -1.322 -11.159) 12.262 3.822 ( -4.120 -1.622 0.469) 4.453 3.943 ( -6.327 1.199 1.641) 6.646 4.148 ( 7.521 -4.275 1.654) 8.807 4.154 ( -24.951 -9.434 -21.289) 34.129 4.205 ( 6.760 7.197 -1.351) 9.966 4.346 ( 0.348 -9.217 -1.097) 9.288 4.454 ( 0.044 -4.669 16.235) 16.893 4.673 ( -3.707 3.151 1.046) 4.977 4.840 ( 15.030 6.088 -0.583) 16.226 4.933 ( 6.802 0.521 -2.433) 7.243 5.048 ( -3.117 2.587 12.304) 12.954 5.269 ( -3.518 -3.240 0.862) 4.860 5.453 ( -0.050 -3.165 -3.640) 4.824 5.561 ( 2.029 4.137 -6.779) 8.197 5.720 ( -1.364 6.565 4.601) 8.132 5.920 ( -4.189 -2.684 2.577) 5.603 6.008 ( 7.893 6.815 -1.288) 10.507 6.102 ( 2.134 -5.141 -6.141) 8.288 6.255 ( 2.661 -3.939 4.945) 6.859 6.411 ( 3.766 1.396 4.941) 6.367 6.620 ( -0.094 1.853 -9.224) 9.409 6.670 ( -7.221 -3.335 6.317) 10.157 6.928 ( -1.062 3.152 -9.353) 9.927 6.952 ( -0.792 -2.819 -12.784) 13.115 7.362 ( -4.518 -1.625 10.789) 11.809 7.408 ( -3.629 5.991 14.248) 15.876 7.668 ( 9.239 -4.536 11.029) 15.085 7.762 ( -4.604 0.452 -8.373) 9.566 7.931 ( 10.010 6.735 -4.890) 13.019 8.115 ( -10.950 -9.597 -8.400) 16.810 8.403 ( -1.564 -1.006 2.757) 3.326 8.532 ( -2.829 1.470 -7.159) 7.837 8.835 ( 2.120 4.555 4.289) 6.606 8.901 ( 22.044 -0.916 3.637) 22.361 9.141 ( 19.971 6.685 0.032) 21.060 9.358 ( -9.783 -0.515 18.816) 21.214 9.536 ( 6.269 7.590 -1.780) 10.004 9.830 ( 3.270 -4.748 -9.134) 10.801 10.143 ( 7.221 -3.104 1.614) 8.024 10.359 ( 7.511 0.151 -8.059) 11.018 10.444 ( 1.251 1.222 4.197) 4.547 10.512 ( -1.493 5.371 -0.259) 5.581 10.826 ( -5.042 0.473 0.520) 5.091 10.931 ( -6.727 -0.771 -0.485) 6.789 11.234 ( 4.210 -3.383 2.656) 6.019 11.382 ( 0.787 -0.473 -3.830) 3.938 11.475 ( 5.499 2.253 3.122) 6.713 11.582 ( 5.182 3.851 -0.291) 6.463 12.079 ( 12.000 7.479 -3.304) 14.521 12.155 ( 6.239 -2.816 -2.410) 7.256 12.316 ( -3.604 -1.017 5.201) 6.409 12.445 ( -9.529 -4.774 -1.741) 10.799 13.001 ( -4.498 -1.669 1.033) 4.908 13.079 ( -4.499 0.019 -1.017) 4.612 14.232 ( -19.996 -5.731 3.099) 21.031 14.399 ( -20.386 -1.907 -3.938) 20.850 15.334 ( 28.397 2.890 3.927) 28.812 15.540 ( 21.000 6.693 -2.563) 22.189 16.420 ( 11.471 0.187 1.475) 11.567 16.446 ( 9.810 2.860 -1.415) 10.316 17.051 ( -2.476 3.356 0.053) 4.171 17.090 ( -3.278 1.090 0.016) 3.455 17.584 ( 8.421 0.526 2.281) 8.741 17.670 ( -1.123 -5.932 1.105) 6.138 17.834 ( -10.648 -8.409 -1.752) 13.681 17.865 ( -0.227 -3.103 -2.953) 4.290 19.112 ( 1.086 -2.732 3.693) 4.720 19.291 ( -2.530 -4.079 -2.691) 5.503 19.615 ( -19.147 9.902 0.549) 21.563 19.686 ( -19.603 6.860 -0.715) 20.782 20.819 ( -23.758 -9.354 11.099) 27.841 21.456 ( -12.169 -3.385 -21.126) 24.614 22.311 ( 5.175 -0.733 10.607) 11.825 22.648 ( 4.376 1.281 -7.379) 8.674 23.012 ( 10.703 2.085 4.895) 11.952 23.157 ( 8.001 1.357 -2.332) 8.443 ======================= Grid point 158 (36/58) ======================= q-point: ( 0.18 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 2.413 11.978 18.117) 21.852 1.842 ( 1.588 -0.428 2.627) 3.099 1.891 ( 1.734 -0.801 -1.163) 2.236 2.161 ( -0.463 -0.236 4.676) 4.705 2.229 ( 11.124 10.046 -7.993) 16.986 2.327 ( 4.507 7.045 -1.686) 8.531 2.614 ( -7.903 7.205 8.404) 13.601 2.704 ( -3.907 0.929 6.469) 7.614 2.940 ( 2.120 -2.187 -4.737) 5.632 3.262 ( 4.956 -3.577 -15.032) 16.227 3.375 ( -1.662 -1.623 0.407) 2.358 3.419 ( 0.469 -6.918 -2.010) 7.219 3.590 ( 3.386 6.006 1.167) 6.993 3.793 ( -4.318 -5.480 -0.408) 6.989 3.835 ( -1.494 -1.243 0.175) 1.951 4.021 ( 1.711 -0.053 4.360) 4.684 4.077 ( -2.945 -15.034 -2.700) 15.556 4.201 ( -10.506 0.200 0.750) 10.534 4.250 ( 10.700 12.326 5.016) 17.076 4.440 ( -1.750 5.410 1.241) 5.820 4.550 ( 1.182 11.930 -11.431) 16.565 4.610 ( 1.093 -12.117 -2.273) 12.377 4.823 ( 1.587 8.488 3.260) 9.231 4.896 ( 11.051 14.069 0.371) 17.894 5.075 ( 0.690 -2.376 7.520) 7.916 5.158 ( -6.515 -1.933 1.051) 6.877 5.512 ( -0.206 -2.738 -2.683) 3.839 5.572 ( 2.936 0.739 -7.338) 7.938 5.761 ( 1.954 -6.470 6.458) 9.348 5.984 ( -2.006 1.737 -4.664) 5.366 6.021 ( 4.392 6.729 0.882) 8.084 6.105 ( -0.667 2.177 0.522) 2.336 6.126 ( -2.934 1.248 2.484) 4.042 6.404 ( 3.731 -1.216 4.505) 5.975 6.614 ( 0.969 -3.561 -7.241) 8.127 6.741 ( -1.647 6.869 4.894) 8.593 6.859 ( -6.268 2.113 -11.421) 13.198 7.026 ( 3.572 -2.546 -2.542) 5.070 7.377 ( -1.567 -2.098 4.799) 5.467 7.490 ( 1.535 -6.753 6.676) 9.619 7.546 ( 2.303 1.974 13.226) 13.569 7.755 ( 0.619 -0.524 4.433) 4.506 7.999 ( 2.803 3.641 -6.633) 8.069 8.148 ( -4.551 4.827 -11.003) 12.848 8.414 ( 0.069 -0.208 0.198) 0.295 8.500 ( -8.422 -11.770 3.654) 14.927 8.568 ( -1.171 -2.804 -9.825) 10.284 8.751 ( -1.902 -7.083 -5.261) 9.025 9.099 ( 6.309 -0.886 7.841) 10.103 9.346 ( -9.222 -4.458 -0.387) 10.250 9.594 ( 3.494 10.893 9.584) 14.924 9.762 ( 3.201 -6.446 0.951) 7.259 10.033 ( -2.280 -2.781 1.125) 3.768 10.228 ( -3.852 -3.959 -5.404) 7.728 10.425 ( -3.752 2.111 3.298) 5.423 10.571 ( 2.790 -2.126 -4.857) 5.991 10.920 ( 2.086 1.686 1.433) 3.041 11.004 ( 1.106 2.615 -2.600) 3.849 11.141 ( -1.824 -3.684 4.003) 5.738 11.304 ( -3.825 -3.486 -4.013) 6.548 11.435 ( -0.975 3.179 5.516) 6.441 11.606 ( 4.095 -0.316 -0.380) 4.124 11.888 ( -5.400 -11.567 -0.481) 12.774 12.002 ( -4.473 -5.772 -9.058) 11.635 12.366 ( 0.551 2.834 8.558) 9.032 12.573 ( 3.106 4.728 -3.061) 6.432 13.095 ( 3.697 4.745 1.438) 6.185 13.154 ( 1.995 4.992 -1.253) 5.520 14.473 ( 6.417 5.691 2.080) 8.825 14.604 ( -3.576 5.648 -4.744) 8.198 14.932 ( -5.144 -20.536 8.131) 22.678 15.211 ( -11.209 -14.065 -5.347) 18.763 16.250 ( -3.966 -3.521 2.584) 5.899 16.362 ( 1.146 -1.798 -2.431) 3.233 17.087 ( -2.230 3.315 0.816) 4.078 17.136 ( 2.173 -2.160 -1.333) 3.341 17.433 ( -2.950 -9.077 3.802) 10.274 17.584 ( -4.292 -6.573 -2.733) 8.312 17.911 ( 2.896 9.224 1.496) 9.783 18.019 ( 7.865 11.858 -2.956) 14.533 19.071 ( -1.133 -3.160 5.364) 6.328 19.297 ( -0.570 0.267 -4.828) 4.869 20.044 ( 11.907 18.886 1.542) 22.380 20.112 ( 11.369 21.167 -1.487) 24.073 21.097 ( 6.698 12.534 9.355) 17.014 21.611 ( 4.270 6.031 -15.940) 17.570 22.227 ( -1.748 -3.137 10.527) 11.123 22.570 ( -3.509 -4.837 -8.432) 10.335 22.828 ( -4.987 -9.460 6.355) 12.440 22.998 ( -5.359 -9.241 -2.743) 11.029 ======================= Grid point 159 (37/58) ======================= q-point: ( 0.27 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 4.921 8.331 8.179) 12.669 1.877 ( -0.398 5.275 -1.724) 5.564 1.932 ( 4.717 3.766 6.312) 8.734 2.077 ( -3.540 -4.146 3.815) 6.654 2.484 ( 8.800 -1.032 -2.704) 9.264 2.516 ( -7.604 6.987 7.329) 12.663 2.564 ( 3.791 5.091 -6.735) 9.254 2.685 ( -0.590 8.519 4.122) 9.482 2.933 ( 1.887 -2.720 -1.080) 3.482 3.271 ( 3.823 -7.905 -2.980) 9.273 3.356 ( -2.095 0.516 -5.045) 5.487 3.418 ( 1.080 -3.599 -9.404) 10.127 3.473 ( -6.086 -6.557 4.200) 9.883 3.657 ( -5.528 -9.858 2.286) 11.531 3.819 ( -1.456 1.264 -3.822) 4.280 3.877 ( 0.070 -10.113 0.309) 10.118 3.998 ( -6.332 -4.837 1.837) 8.177 4.084 ( -1.036 1.627 3.270) 3.797 4.224 ( -7.667 -5.190 2.006) 9.473 4.397 ( 1.451 -11.726 -0.087) 11.816 4.578 ( 1.806 -0.630 -3.912) 4.355 4.677 ( 9.562 2.173 -1.231) 9.883 4.928 ( -7.584 -5.073 5.529) 10.669 5.125 ( 6.962 11.430 3.020) 13.720 5.172 ( 4.867 9.647 -2.821) 11.167 5.376 ( 5.908 10.029 -0.259) 11.643 5.468 ( 5.045 3.461 -1.104) 6.217 5.610 ( 2.993 3.181 -5.051) 6.678 5.709 ( 1.610 -6.196 4.013) 7.556 5.909 ( -2.872 -0.666 -9.157) 9.620 6.042 ( -1.007 -1.305 7.521) 7.699 6.165 ( 1.830 5.933 3.284) 7.023 6.240 ( 0.174 9.123 -1.702) 9.282 6.460 ( 3.232 -6.017 -8.946) 11.256 6.631 ( 3.484 0.212 4.764) 5.906 6.747 ( -1.494 4.828 0.671) 5.098 6.825 ( -0.752 4.004 -1.569) 4.366 6.992 ( -2.913 -2.729 4.505) 6.019 7.324 ( -0.755 -6.482 -0.707) 6.564 7.377 ( -5.873 -3.589 -6.786) 9.666 7.642 ( 3.229 3.178 14.382) 15.079 7.786 ( -1.001 2.361 11.397) 11.682 7.970 ( -1.899 -6.373 0.692) 6.686 8.046 ( -4.190 -4.760 1.037) 6.425 8.384 ( -2.261 1.039 -0.817) 2.619 8.461 ( 5.542 1.374 -9.207) 10.834 8.528 ( -0.697 3.852 -11.734) 12.370 8.737 ( 0.222 0.322 -10.643) 10.650 9.105 ( -9.301 0.277 1.857) 9.488 9.186 ( 0.105 -2.487 2.972) 3.877 9.735 ( 1.509 7.189 2.615) 7.797 9.798 ( 6.288 -4.321 3.155) 8.257 10.003 ( -1.201 2.396 4.551) 5.281 10.174 ( 0.164 0.378 -0.675) 0.791 10.352 ( -7.217 2.707 -1.840) 7.924 10.540 ( -3.173 -3.428 -0.391) 4.687 10.938 ( 1.364 0.120 3.397) 3.663 11.042 ( 3.252 -6.410 1.784) 7.406 11.063 ( -3.203 -1.251 1.793) 3.878 11.243 ( -2.990 4.062 -6.155) 7.958 11.453 ( 0.569 -6.365 5.729) 8.582 11.677 ( 0.269 5.058 3.498) 6.156 11.744 ( -2.166 2.196 -2.826) 4.183 11.909 ( -0.892 -2.402 -12.593) 12.851 12.394 ( 1.941 -1.426 9.121) 9.434 12.628 ( 1.682 -1.893 -3.440) 4.271 13.211 ( 2.922 7.172 0.910) 7.798 13.269 ( 4.222 6.334 -0.650) 7.640 14.422 ( -10.429 -6.641 0.464) 12.373 14.520 ( -0.094 -9.890 1.716) 10.038 14.708 ( -0.194 -18.946 4.254) 19.419 14.923 ( -6.561 -9.775 -7.072) 13.734 16.261 ( 3.335 7.152 3.059) 8.463 16.468 ( 6.049 8.738 -2.191) 10.851 17.030 ( -8.325 2.310 -1.889) 8.844 17.128 ( -0.850 -2.153 2.076) 3.110 17.317 ( 0.575 -8.953 3.164) 9.514 17.401 ( -6.183 -8.805 -3.640) 11.358 18.123 ( 10.025 7.459 3.223) 12.905 18.317 ( 12.900 8.794 -3.623) 16.027 18.992 ( -2.291 -6.559 6.103) 9.247 19.255 ( -2.032 -4.442 -6.412) 8.061 20.378 ( -0.646 26.142 2.694) 26.288 20.473 ( 0.165 28.710 -2.529) 28.821 21.341 ( 13.075 3.124 7.205) 15.252 21.744 ( 6.741 1.927 -12.193) 14.065 22.184 ( 0.967 -5.406 7.907) 9.627 22.390 ( -7.343 -10.689 -2.382) 13.185 22.678 ( -4.116 -6.574 2.651) 8.197 22.808 ( -5.188 -6.860 -2.742) 9.028 ======================= Grid point 160 (38/58) ======================= q-point: ( 0.36 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 5.652 6.500 5.185) 10.054 1.907 ( -4.817 4.201 6.427) 9.064 2.010 ( 2.007 2.996 3.805) 5.242 2.131 ( 7.745 8.574 -3.719) 12.138 2.330 ( -12.678 -1.410 6.053) 14.120 2.503 ( -1.753 -2.864 -1.975) 3.896 2.695 ( 4.153 6.531 -6.267) 9.959 2.749 ( -1.663 -0.042 -0.817) 1.854 3.008 ( 7.850 -3.814 -2.354) 9.039 3.148 ( -5.169 -11.882 5.231) 13.973 3.273 ( -4.179 1.792 2.271) 5.083 3.312 ( -1.987 0.128 -1.456) 2.467 3.486 ( -1.147 -8.235 -0.906) 8.364 3.531 ( 8.037 -2.789 -6.602) 10.769 3.775 ( -1.352 -5.014 -2.808) 5.904 3.869 ( 4.015 -4.092 3.523) 6.729 3.916 ( -6.934 -4.079 1.897) 8.265 3.949 ( 1.345 1.497 -1.796) 2.698 4.206 ( 0.223 2.932 2.931) 4.152 4.303 ( 2.557 -11.487 -0.201) 11.770 4.600 ( 3.190 -3.500 -2.542) 5.375 4.668 ( -5.309 -6.957 -0.914) 8.798 4.943 ( 8.500 5.918 3.757) 11.018 5.189 ( -9.340 -2.908 0.940) 9.828 5.314 ( 2.657 3.509 -7.275) 8.502 5.376 ( 2.895 4.132 0.835) 5.114 5.625 ( 7.366 -7.193 4.345) 11.175 5.696 ( 2.010 5.816 -1.281) 6.285 5.735 ( 3.441 -0.275 -6.682) 7.521 5.971 ( -3.427 -0.091 8.513) 9.178 6.110 ( 7.978 10.525 -4.454) 13.938 6.209 ( -2.264 3.320 4.491) 6.026 6.233 ( -3.320 -1.005 0.758) 3.551 6.390 ( -3.216 -4.414 -10.637) 11.957 6.692 ( 2.195 4.303 4.110) 6.343 6.799 ( -3.843 -0.448 0.941) 3.982 6.889 ( 6.683 1.976 -0.113) 6.970 6.946 ( 0.531 0.058 8.445) 8.462 7.171 ( -5.813 -4.046 -3.127) 7.742 7.319 ( -0.791 0.522 -11.050) 11.091 7.687 ( -0.305 0.685 9.231) 9.262 7.737 ( -4.629 2.396 9.413) 10.760 7.900 ( -2.994 0.238 4.274) 5.224 7.985 ( 1.949 -4.183 12.412) 13.243 8.377 ( -0.076 0.763 2.354) 2.476 8.570 ( 2.845 3.396 -10.889) 11.756 8.596 ( 2.019 4.494 -18.574) 19.216 8.716 ( -2.762 -0.071 -12.201) 12.510 8.980 ( -5.454 3.538 3.276) 7.280 9.150 ( -1.787 -2.142 -1.687) 3.260 9.811 ( -1.515 0.818 4.169) 4.510 9.857 ( 2.921 6.320 -1.964) 7.235 10.026 ( 1.718 1.466 3.357) 4.046 10.177 ( -4.213 1.038 3.067) 5.313 10.308 ( 0.608 5.948 -3.163) 6.764 10.408 ( -6.224 -4.958 4.088) 8.946 10.913 ( -2.780 -2.380 8.604) 9.350 11.050 ( 3.337 -6.004 1.501) 7.031 11.071 ( 7.601 0.518 1.275) 7.724 11.261 ( -3.164 8.082 -7.671) 11.583 11.307 ( -2.697 -12.794 6.227) 14.482 11.696 ( -2.881 3.596 -3.328) 5.684 11.817 ( 2.501 5.220 -5.303) 7.850 11.916 ( -3.398 7.600 -5.158) 9.793 12.401 ( 2.635 -5.384 9.014) 10.825 12.618 ( 2.660 -5.593 -3.517) 7.122 13.335 ( 0.062 9.779 0.579) 9.797 13.391 ( 0.080 7.405 -0.736) 7.442 14.221 ( -1.849 -8.472 3.468) 9.339 14.338 ( 0.334 -16.532 0.222) 16.537 14.576 ( 6.823 -18.885 2.450) 20.228 14.780 ( -0.265 -6.775 -6.937) 9.700 16.466 ( 6.756 11.293 2.963) 13.489 16.701 ( 7.036 11.394 -1.524) 13.478 16.853 ( -12.116 1.508 -0.895) 12.242 16.999 ( -11.463 -2.357 1.364) 11.782 17.257 ( 3.530 -8.256 -0.196) 8.981 17.292 ( 2.644 -7.102 -0.725) 7.613 18.353 ( 7.617 3.691 4.678) 9.670 18.587 ( 7.722 4.348 -4.474) 9.927 18.874 ( -1.411 -7.935 5.946) 10.015 19.155 ( -0.915 -7.169 -7.311) 10.280 20.539 ( -12.113 28.199 3.346) 30.873 20.676 ( -12.143 31.547 -3.294) 33.963 21.616 ( 14.340 -0.018 5.126) 15.229 21.882 ( 6.693 0.623 -5.907) 8.948 22.050 ( -4.861 -15.070 1.277) 15.886 22.235 ( 4.538 -11.270 -1.707) 12.268 22.515 ( -3.784 -6.914 5.840) 9.810 22.726 ( -1.830 0.569 -3.520) 4.008 ======================= Grid point 161 (39/58) ======================= q-point: (-0.55 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -6.267 0.185 4.588) 7.769 1.941 ( -2.427 1.840 5.461) 6.253 2.064 ( -6.007 -0.066 9.180) 10.971 2.127 ( -5.921 2.667 -5.648) 8.606 2.288 ( -0.532 4.949 1.333) 5.153 2.536 ( 5.792 6.073 -0.803) 8.431 2.673 ( 1.101 -6.642 -1.744) 6.955 2.880 ( 5.480 5.100 -3.886) 8.435 2.938 ( 1.196 -2.385 -0.623) 2.740 3.155 ( -3.704 -1.004 4.241) 5.719 3.189 ( 0.247 -7.692 -0.393) 7.706 3.305 ( -0.157 4.136 -0.423) 4.160 3.438 ( 6.756 -4.286 -2.208) 8.300 3.617 ( 4.729 -8.136 -6.894) 11.665 3.752 ( 2.894 1.479 3.531) 4.799 3.837 ( 2.655 -0.629 -1.414) 3.073 3.920 ( 2.494 -1.065 1.209) 2.970 4.012 ( 2.361 2.812 0.258) 3.680 4.204 ( 0.529 -1.255 3.542) 3.795 4.284 ( 6.908 -9.554 -1.000) 11.832 4.585 ( 0.675 0.638 -3.049) 3.187 4.634 ( 2.905 -3.322 0.046) 4.414 5.011 ( -3.998 -5.027 5.495) 8.452 5.167 ( 7.326 7.656 0.441) 10.605 5.208 ( -8.020 0.324 -5.647) 9.814 5.503 ( 3.663 -4.464 -4.213) 7.148 5.618 ( 1.627 -5.485 -2.514) 6.249 5.755 ( -13.936 -3.698 7.558) 16.279 5.821 ( 2.412 5.614 -2.070) 6.451 5.874 ( 6.822 2.070 4.472) 8.416 6.039 ( -12.963 -7.051 -6.959) 16.315 6.206 ( 1.517 2.219 1.931) 3.310 6.226 ( -3.093 3.076 2.650) 5.104 6.385 ( -0.084 2.529 -7.314) 7.740 6.682 ( -5.956 -2.058 1.534) 6.486 6.786 ( 1.976 5.137 5.103) 7.505 6.936 ( 0.317 -3.223 7.143) 7.843 6.970 ( 1.514 -2.709 -0.592) 3.159 7.135 ( 1.811 4.350 -7.504) 8.861 7.358 ( 4.185 0.341 -7.988) 9.024 7.679 ( -5.746 3.289 14.442) 15.888 7.714 ( 2.441 3.220 4.525) 6.066 7.895 ( 0.284 1.160 6.375) 6.486 7.983 ( 3.402 -2.373 9.679) 10.530 8.385 ( 0.024 0.405 2.723) 2.753 8.580 ( -5.633 0.274 -16.065) 17.027 8.618 ( -0.989 -1.598 -13.726) 13.854 8.706 ( 0.768 3.067 -10.963) 11.409 9.000 ( 2.070 6.436 4.818) 8.301 9.106 ( -2.111 1.125 -3.709) 4.414 9.738 ( -4.668 0.406 2.125) 5.145 9.942 ( -2.611 1.206 1.030) 3.055 10.066 ( -1.496 0.901 3.850) 4.227 10.159 ( 1.849 3.794 0.168) 4.224 10.266 ( -1.079 0.320 -0.138) 1.134 10.415 ( 2.129 4.213 2.671) 5.424 10.879 ( 1.310 -0.682 7.004) 7.158 11.045 ( 2.102 -6.195 2.466) 6.992 11.146 ( -1.513 -4.310 0.855) 4.647 11.263 ( 4.932 -0.436 3.556) 6.095 11.283 ( 4.198 3.593 -4.350) 7.032 11.692 ( -2.199 4.338 -2.653) 5.540 11.847 ( -2.690 -0.456 -5.079) 5.765 11.886 ( -7.888 7.044 -5.723) 12.025 12.389 ( 2.648 -4.857 8.593) 10.220 12.629 ( 4.204 -4.961 -3.031) 7.174 13.341 ( -8.170 4.591 0.746) 9.402 13.384 ( -6.912 3.911 -0.896) 7.993 14.237 ( 10.061 -2.840 4.013) 11.198 14.329 ( 12.808 -7.686 -0.219) 14.939 14.561 ( 11.011 -15.545 1.779) 19.133 14.789 ( 7.595 -3.724 -6.370) 10.589 16.516 ( -10.745 -0.571 5.059) 11.890 16.635 ( -13.821 1.628 -3.671) 14.393 16.884 ( 3.114 7.914 -1.366) 8.614 16.970 ( 6.627 10.365 1.824) 12.437 17.255 ( 3.877 -8.177 -0.206) 9.052 17.304 ( 6.703 -4.769 -0.654) 8.252 18.372 ( -5.544 -4.591 5.292) 8.935 18.577 ( -8.390 -4.633 -5.101) 10.857 18.863 ( 6.836 -2.775 5.565) 9.241 19.162 ( 7.215 -2.790 -6.922) 10.381 20.532 ( -18.996 24.503 3.043) 31.153 20.683 ( -20.646 26.430 -2.992) 33.672 21.614 ( -6.988 -12.134 5.096) 14.901 21.880 ( -4.467 -5.774 -5.807) 9.328 22.056 ( 16.067 -3.559 1.324) 16.510 22.232 ( 7.478 -9.350 -1.850) 12.115 22.516 ( 7.841 -0.237 5.943) 9.842 22.724 ( 0.257 1.910 -3.596) 4.080 ======================= Grid point 162 (40/58) ======================= q-point: (-0.45 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -5.818 -1.465 7.393) 9.521 1.885 ( -4.630 2.128 -1.568) 5.331 1.911 ( -7.837 -1.220 7.678) 11.039 2.095 ( 2.856 0.195 3.453) 4.486 2.318 ( -4.116 5.722 -1.223) 7.154 2.586 ( -9.223 -1.839 -3.890) 10.177 2.652 ( 4.252 -1.895 3.315) 5.715 2.801 ( -7.753 -5.495 7.415) 12.053 3.021 ( -1.890 -11.832 1.089) 12.032 3.096 ( 5.852 8.131 -3.775) 10.706 3.236 ( 5.023 10.272 -13.071) 17.367 3.363 ( 1.361 1.545 -3.652) 4.192 3.591 ( 14.434 -5.694 4.443) 16.140 3.713 ( 3.657 -5.281 -2.063) 6.747 3.767 ( 6.995 4.354 -1.401) 8.358 3.848 ( -1.358 -0.157 0.459) 1.442 3.977 ( 1.771 5.306 0.944) 5.673 4.165 ( 9.157 -1.476 2.416) 9.585 4.231 ( 5.470 -0.379 2.599) 6.068 4.377 ( 12.798 -6.497 -0.648) 14.368 4.559 ( -3.064 1.423 -3.282) 4.710 4.631 ( -4.153 -2.244 -0.856) 4.798 4.982 ( 5.503 -2.249 5.688) 8.227 5.117 ( -2.846 -0.106 -0.317) 2.865 5.236 ( -16.246 -2.004 -0.990) 16.399 5.375 ( -21.269 -2.534 -0.880) 21.437 5.445 ( 1.897 -0.405 1.341) 2.358 5.612 ( -3.146 -0.019 -4.839) 5.772 5.679 ( -5.677 -2.273 0.096) 6.116 5.953 ( 4.582 -0.671 -7.236) 8.591 6.028 ( 6.394 0.017 8.678) 10.780 6.162 ( -7.117 1.776 3.015) 7.931 6.282 ( -5.853 4.026 -3.271) 7.821 6.344 ( 1.747 0.243 -6.015) 6.269 6.584 ( -2.869 0.507 2.425) 3.791 6.830 ( 0.273 -2.872 4.715) 5.527 6.900 ( -0.398 -2.864 0.631) 2.959 6.978 ( 0.752 2.330 -3.474) 4.250 7.250 ( 5.573 4.031 -2.801) 7.427 7.429 ( 3.893 -1.928 -1.260) 4.524 7.607 ( -4.968 1.675 13.009) 14.026 7.768 ( -2.600 3.357 10.648) 11.463 7.952 ( 7.440 0.353 0.120) 7.449 8.099 ( 10.062 -2.743 2.790) 10.796 8.377 ( -2.205 2.705 -4.719) 5.869 8.459 ( -2.987 -3.467 -6.963) 8.332 8.571 ( -2.481 -1.541 -11.099) 11.477 8.721 ( -1.185 1.119 -9.142) 9.286 9.089 ( -1.848 4.079 0.254) 4.486 9.175 ( 7.953 6.266 3.658) 10.765 9.694 ( -0.830 0.498 2.405) 2.592 9.816 ( -7.815 -4.272 4.312) 9.895 10.022 ( -2.041 0.395 3.464) 4.040 10.174 ( 1.431 -0.543 -0.580) 1.637 10.432 ( 6.434 6.872 -4.529) 10.447 10.457 ( 0.601 1.788 2.665) 3.264 10.935 ( 1.640 3.032 3.018) 4.581 10.994 ( 1.610 -5.867 1.831) 6.353 11.120 ( 0.837 -2.389 1.042) 2.738 11.261 ( -0.840 2.547 -4.636) 5.356 11.470 ( 8.779 -3.717 4.911) 10.724 11.647 ( -7.894 4.585 3.511) 9.781 11.758 ( -3.076 1.516 -1.713) 3.833 11.888 ( 4.560 0.711 -13.228) 14.010 12.395 ( 1.089 -1.881 8.686) 8.954 12.634 ( 0.358 -3.126 -3.251) 4.524 13.210 ( -8.033 0.645 0.923) 8.112 13.269 ( -7.283 0.120 -0.659) 7.314 14.439 ( 9.420 1.582 0.124) 9.553 14.558 ( 13.487 4.376 3.509) 14.607 14.621 ( 11.284 -11.911 1.085) 16.444 14.956 ( 13.754 -1.933 -5.353) 14.885 16.302 ( -8.057 -2.769 4.893) 9.824 16.423 ( -10.448 2.737 -4.035) 11.530 17.039 ( 2.751 7.016 -2.095) 7.822 17.139 ( 1.680 2.324 2.489) 3.797 17.263 ( 7.748 -3.348 1.353) 8.548 17.427 ( 9.957 -1.399 -2.010) 10.254 18.150 ( -10.836 -6.896 4.028) 13.461 18.303 ( -14.288 -5.803 -4.459) 16.054 18.981 ( 6.751 -0.354 5.709) 8.848 19.264 ( 5.053 -1.233 -6.007) 7.946 20.366 ( -22.624 14.529 2.191) 26.977 20.485 ( -24.727 13.364 -2.026) 28.180 21.346 ( -9.021 -9.986 7.456) 15.384 21.735 ( -5.293 -4.238 -12.296) 14.042 22.183 ( 4.080 -3.490 7.546) 9.261 22.400 ( 13.513 0.101 -2.210) 13.693 22.672 ( 7.159 0.806 2.646) 7.675 22.808 ( 8.690 1.077 -2.695) 9.162 ======================= Grid point 170 (41/58) ======================= q-point: ( 0.27 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 5.245 6.103 5.313) 9.643 1.989 ( 1.425 -1.144 3.781) 4.199 2.018 ( 0.679 6.781 5.498) 8.757 2.114 ( 3.673 11.571 -4.162) 12.834 2.403 ( 3.675 -5.480 2.746) 7.147 2.536 ( -6.501 1.515 4.837) 8.244 2.693 ( 5.713 1.352 -2.827) 6.516 2.826 ( -3.651 0.967 -1.385) 4.023 2.936 ( -5.411 3.493 -2.474) 6.900 3.129 ( 1.344 -7.975 6.013) 10.078 3.229 ( 2.599 -12.027 -10.111) 15.926 3.316 ( -3.414 -5.462 -0.114) 6.442 3.417 ( -3.829 -0.631 -0.373) 3.898 3.460 ( -1.100 0.710 -4.635) 4.816 3.763 ( 1.264 -2.930 3.234) 4.543 3.824 ( -8.331 -1.710 -0.794) 8.541 3.912 ( 0.971 -7.784 2.747) 8.311 4.041 ( -8.008 -6.860 -2.326) 10.798 4.153 ( 1.311 1.700 2.620) 3.388 4.242 ( 4.034 2.546 -0.659) 4.815 4.563 ( -2.983 -2.164 0.587) 3.732 4.646 ( -1.246 -8.424 -3.122) 9.070 4.925 ( 1.021 6.864 6.444) 9.470 5.232 ( 6.534 6.689 -9.417) 13.271 5.356 ( -5.042 -1.446 3.058) 6.072 5.365 ( 1.430 -8.440 5.190) 10.010 5.509 ( -1.045 7.212 1.177) 7.382 5.706 ( 1.692 5.557 -5.686) 8.129 5.763 ( -5.713 0.408 -7.299) 9.278 5.958 ( 5.588 2.319 4.006) 7.256 6.044 ( 8.260 5.881 -0.641) 10.160 6.239 ( 1.005 1.053 0.659) 1.598 6.262 ( -2.349 -5.061 1.493) 5.776 6.412 ( 1.325 3.129 -3.625) 4.968 6.676 ( 2.790 3.017 2.554) 4.839 6.824 ( 1.751 2.000 2.179) 3.437 6.870 ( -3.201 0.700 5.027) 6.000 6.948 ( -1.380 -2.542 2.820) 4.039 7.204 ( -0.548 -2.692 -7.210) 7.715 7.332 ( -2.743 -2.367 -10.708) 11.304 7.692 ( 0.943 2.351 12.213) 12.473 7.836 ( 3.055 -5.232 8.528) 10.461 7.845 ( -2.156 2.598 16.526) 16.867 7.983 ( -1.612 -1.680 3.066) 3.850 8.391 ( -0.642 -0.364 1.721) 1.872 8.548 ( 2.999 5.834 -16.566) 17.817 8.614 ( 1.223 3.145 -16.085) 16.435 8.740 ( 0.003 -0.383 -11.737) 11.743 9.059 ( -2.762 -3.560 3.157) 5.502 9.136 ( 0.361 -1.998 -0.467) 2.083 9.809 ( 7.527 4.630 1.942) 9.048 9.907 ( 0.677 9.599 -0.633) 9.643 10.036 ( -1.897 1.250 6.314) 6.710 10.197 ( 1.724 0.350 4.432) 4.769 10.370 ( 0.231 -7.357 -3.764) 8.268 10.410 ( -4.408 -2.053 -3.306) 5.880 10.903 ( 1.119 -3.679 7.654) 8.565 10.966 ( 0.229 -0.638 6.820) 6.854 11.029 ( -5.679 -1.216 6.554) 8.757 11.261 ( -4.016 -8.938 3.051) 10.263 11.355 ( 2.367 5.378 -10.430) 11.971 11.704 ( -2.549 -4.755 -11.862) 13.031 11.864 ( 4.813 10.231 3.075) 11.718 12.004 ( 7.175 9.863 -3.768) 12.765 12.333 ( -2.155 -4.664 8.554) 9.979 12.550 ( -3.769 -5.367 -3.257) 7.322 13.400 ( 6.530 11.114 0.814) 12.916 13.432 ( 5.586 9.833 -0.626) 11.326 14.219 ( -8.566 -16.625 0.225) 18.704 14.241 ( -11.149 -15.606 -0.588) 19.189 14.365 ( -4.101 -9.389 8.094) 13.057 14.748 ( -4.042 -6.676 -9.310) 12.148 16.486 ( 5.577 13.330 4.948) 15.274 16.672 ( 8.689 11.023 -3.487) 14.463 17.056 ( 4.290 -6.252 0.167) 7.584 17.070 ( -10.923 0.891 -0.274) 10.963 17.130 ( 1.268 -7.522 2.113) 7.916 17.217 ( -7.118 -8.662 -1.772) 11.351 18.321 ( 5.369 10.885 4.609) 12.982 18.540 ( 7.643 12.347 -5.080) 15.384 18.836 ( -4.444 -8.598 5.864) 11.317 19.125 ( -5.121 -8.288 -6.970) 11.978 20.866 ( 12.245 20.384 3.535) 24.041 21.013 ( 12.826 23.091 -3.025) 26.587 21.408 ( 2.676 4.930 6.638) 8.691 21.772 ( 1.251 1.419 -10.899) 11.062 21.991 ( -8.585 -14.475 3.728) 17.238 22.158 ( -6.716 -11.641 -1.606) 13.535 22.514 ( -4.170 -7.138 6.819) 10.716 22.745 ( -0.368 -0.737 -3.891) 3.978 ======================= Grid point 171 (42/58) ======================= q-point: ( 0.36 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -3.350 0.734 5.581) 6.550 1.950 ( 1.409 0.970 7.093) 7.297 2.162 ( 0.205 8.636 1.354) 8.744 2.229 ( -4.413 -0.881 -4.412) 6.302 2.327 ( 0.979 -2.153 0.031) 2.365 2.579 ( 1.436 14.108 3.375) 14.577 2.690 ( -10.712 -4.225 2.077) 11.701 2.824 ( 5.560 -0.654 -0.741) 5.647 2.907 ( -1.414 -0.234 -0.564) 1.540 3.011 ( 8.393 -0.429 -2.488) 8.765 3.111 ( -3.741 -10.745 -1.411) 11.464 3.224 ( 10.306 -13.535 -6.211) 18.111 3.508 ( -4.889 9.939 0.403) 11.084 3.547 ( -4.531 3.362 -0.679) 5.683 3.685 ( 3.879 0.471 1.902) 4.346 3.731 ( 3.095 -5.840 1.205) 6.719 3.827 ( 1.612 -8.789 0.451) 8.947 3.942 ( 4.285 -4.179 -2.993) 6.693 4.254 ( -3.752 8.030 2.411) 9.185 4.316 ( -5.157 6.271 -0.164) 8.121 4.504 ( 3.491 -7.838 0.576) 8.599 4.507 ( 4.638 -6.387 0.090) 7.894 5.064 ( -0.723 3.125 5.274) 6.173 5.182 ( -3.297 4.707 2.858) 6.418 5.337 ( 2.712 -5.373 2.208) 6.411 5.436 ( -9.719 -0.184 -8.999) 13.247 5.483 ( 8.270 3.305 -8.751) 12.486 5.666 ( 6.773 -7.787 -11.967) 15.802 5.822 ( -0.015 1.489 6.254) 6.429 6.010 ( -5.658 6.210 9.895) 12.981 6.124 ( -1.393 -2.365 -0.185) 2.751 6.174 ( 2.388 -2.698 7.536) 8.353 6.335 ( -3.991 4.150 -5.805) 8.177 6.408 ( 0.912 2.299 -4.188) 4.863 6.712 ( 0.047 -0.910 0.853) 1.248 6.830 ( -0.753 1.726 2.308) 2.979 6.868 ( 1.193 -1.265 3.445) 3.859 6.920 ( 1.219 -2.303 7.663) 8.093 7.196 ( -2.329 4.359 -10.867) 11.938 7.296 ( 1.746 -2.792 -12.245) 12.680 7.709 ( 0.017 1.463 4.753) 4.974 7.799 ( -3.085 2.776 19.429) 19.867 7.874 ( 2.015 -3.403 17.501) 17.943 7.965 ( -0.854 1.764 3.647) 4.141 8.384 ( 0.082 0.082 1.332) 1.337 8.622 ( 0.584 1.674 -16.977) 17.069 8.641 ( -1.163 -0.319 -20.905) 20.940 8.728 ( -0.590 1.153 -9.758) 9.844 9.014 ( -0.004 0.285 3.436) 3.448 9.120 ( -0.055 -0.671 -2.053) 2.161 9.912 ( -7.417 8.184 2.991) 11.443 10.020 ( -1.168 5.425 1.347) 5.711 10.056 ( 2.373 2.339 4.590) 5.671 10.162 ( 1.250 -2.342 1.365) 2.985 10.260 ( -0.923 -7.050 -0.806) 7.156 10.391 ( 1.697 0.809 -7.344) 7.581 10.884 ( -2.202 0.634 12.328) 12.539 10.949 ( 1.871 -2.681 7.279) 7.979 11.007 ( 6.262 -7.089 14.570) 17.371 11.157 ( -0.071 -1.035 -2.891) 3.071 11.433 ( -4.392 7.951 -12.435) 15.399 11.630 ( 3.583 -6.505 -14.757) 16.521 12.000 ( -5.438 10.644 4.959) 12.941 12.154 ( -7.485 11.686 -2.445) 14.091 12.260 ( 3.952 -7.694 7.480) 11.435 12.460 ( 5.886 -9.327 -3.050) 11.442 13.578 ( -7.656 12.630 0.234) 14.771 13.589 ( -6.582 12.025 -0.251) 13.711 13.979 ( 9.877 -15.792 0.525) 18.634 13.992 ( 7.876 -14.950 0.080) 16.898 14.290 ( 3.790 -6.559 7.493) 10.655 14.678 ( 1.618 -2.833 -9.759) 10.290 16.676 ( -2.459 6.728 5.146) 8.820 16.866 ( -6.036 5.199 -3.498) 8.701 16.929 ( -1.330 3.975 1.490) 4.449 16.980 ( -2.495 3.849 -0.958) 4.686 17.080 ( 6.115 -8.586 1.170) 10.606 17.135 ( 4.609 -8.468 -1.271) 9.724 18.477 ( -3.668 7.157 5.282) 9.621 18.694 ( 2.492 -4.853 3.936) 6.727 18.735 ( -3.184 4.957 -4.186) 7.227 18.986 ( 5.194 -8.614 -7.012) 12.262 21.092 ( -14.678 25.097 4.556) 29.429 21.285 ( -15.204 26.783 -4.033) 31.061 21.605 ( 2.400 -3.910 5.146) 6.895 21.644 ( 9.576 -16.872 5.945) 20.290 21.886 ( 10.824 -19.174 -4.902) 22.557 21.933 ( 0.978 -1.375 -12.181) 12.297 22.445 ( 0.638 -1.061 11.420) 11.487 22.740 ( -0.308 0.507 -4.431) 4.471 ======================= Grid point 266 (43/58) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 0.000 -0.000 -24.896) 24.896 0.852 ( 0.000 0.000 -24.896) 24.896 0.852 ( 0.000 0.000 24.896) 24.896 0.852 ( -0.000 -0.000 24.896) 24.896 2.082 ( 0.000 0.000 -47.576) 47.576 2.082 ( 0.000 0.000 47.576) 47.576 2.768 ( -0.000 -0.000 -26.952) 26.952 2.768 ( -0.000 0.000 -26.952) 26.952 2.768 ( 0.000 -0.000 26.952) 26.952 2.768 ( 0.000 0.000 26.952) 26.952 2.862 ( 0.000 0.000 -9.311) 9.311 2.862 ( 0.000 0.000 9.311) 9.311 3.359 ( 0.000 0.000 -9.583) 9.583 3.359 ( 0.000 0.000 9.583) 9.583 4.068 ( 0.000 0.000 -5.034) 5.034 4.068 ( 0.000 0.000 5.034) 5.034 4.335 ( 0.000 0.000 -12.486) 12.486 4.335 ( 0.000 0.000 -12.486) 12.486 4.335 ( 0.000 -0.000 12.486) 12.486 4.335 ( 0.000 0.000 12.486) 12.486 4.476 ( 0.000 -0.000 -13.638) 13.638 4.476 ( 0.000 0.000 -13.638) 13.638 4.476 ( 0.000 -0.000 13.638) 13.638 4.476 ( 0.000 0.000 13.638) 13.638 5.592 ( 0.000 0.000 -23.444) 23.444 5.592 ( 0.000 0.000 23.444) 23.444 5.597 ( 0.000 -0.000 -5.155) 5.155 5.597 ( 0.000 0.000 5.155) 5.155 5.597 ( 0.000 0.000 -5.155) 5.155 5.597 ( 0.000 0.000 5.155) 5.155 6.305 ( 0.000 0.000 -2.846) 2.846 6.305 ( 0.000 -0.000 -2.846) 2.846 6.305 ( 0.000 -0.000 2.846) 2.846 6.305 ( 0.000 -0.000 2.846) 2.846 6.893 ( 0.000 0.000 -11.954) 11.954 6.893 ( 0.000 -0.000 -11.954) 11.954 6.893 ( 0.000 -0.000 11.954) 11.954 6.893 ( 0.000 -0.000 11.954) 11.954 7.126 ( 0.000 0.000 -5.736) 5.736 7.126 ( -0.000 0.000 -5.736) 5.736 7.126 ( 0.000 -0.000 5.736) 5.736 7.126 ( -0.000 -0.000 5.736) 5.736 8.420 ( 0.000 0.000 -2.017) 2.017 8.420 ( 0.000 0.000 2.017) 2.017 9.187 ( 0.000 0.000 -22.808) 22.808 9.187 ( 0.000 -0.000 -22.808) 22.808 9.187 ( 0.000 0.000 22.808) 22.808 9.187 ( 0.000 0.000 22.808) 22.808 10.268 ( 0.000 0.000 -0.803) 0.803 10.268 ( 0.000 0.000 0.803) 0.803 10.363 ( 0.000 0.000 -6.352) 6.352 10.363 ( 0.000 0.000 -6.352) 6.352 10.363 ( 0.000 -0.000 6.352) 6.352 10.363 ( 0.000 -0.000 6.352) 6.352 10.522 ( 0.000 0.000 -6.890) 6.890 10.522 ( 0.000 0.000 6.890) 6.890 10.687 ( 0.000 0.000 -3.574) 3.574 10.687 ( -0.000 0.000 -3.574) 3.574 10.687 ( 0.000 0.000 3.574) 3.574 10.687 ( 0.000 0.000 3.574) 3.574 11.250 ( 0.000 0.000 -0.649) 0.649 11.250 ( -0.000 0.000 0.649) 0.649 12.124 ( 0.000 0.000 -11.874) 11.874 12.124 ( 0.000 0.000 11.874) 11.874 12.790 ( 0.000 -0.000 -0.238) 0.238 12.790 ( 0.000 -0.000 0.238) 0.238 12.790 ( 0.000 0.000 -0.238) 0.238 12.790 ( 0.000 0.000 0.238) 0.238 13.114 ( 0.000 0.000 -4.621) 4.621 13.114 ( 0.000 0.000 4.621) 4.621 16.818 ( 0.000 -0.000 -0.344) 0.344 16.818 ( -0.000 0.000 0.344) 0.344 16.818 ( 0.000 -0.000 -0.344) 0.344 16.818 ( 0.000 -0.000 0.344) 0.344 17.411 ( 0.000 0.000 -2.444) 2.444 17.411 ( 0.000 0.000 -2.444) 2.444 17.411 ( 0.000 -0.000 2.444) 2.444 17.411 ( -0.000 0.000 2.444) 2.444 18.026 ( 0.000 -0.000 -0.492) 0.492 18.026 ( 0.000 -0.000 0.492) 0.492 18.832 ( 0.000 0.000 -0.893) 0.893 18.832 ( 0.000 -0.000 0.893) 0.893 19.099 ( 0.000 -0.000 -1.153) 1.153 19.099 ( 0.000 0.000 -1.153) 1.153 19.099 ( 0.000 -0.000 1.153) 1.153 19.099 ( 0.000 0.000 1.153) 1.153 22.861 ( 0.000 0.000 -2.124) 2.124 22.861 ( 0.000 0.000 2.124) 2.124 23.348 ( 0.000 0.000 -1.451) 1.451 23.348 ( 0.000 0.000 1.451) 1.451 ======================= Grid point 268 (44/58) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 11.106 6.412 18.163) 22.234 1.189 ( 19.620 11.328 -20.183) 30.341 1.231 ( 26.515 15.309 -12.840) 33.201 1.359 ( 22.197 12.816 19.854) 32.421 2.217 ( 13.127 7.579 -38.545) 41.418 2.257 ( 17.409 10.051 34.071) 39.559 2.630 ( -4.927 -2.845 20.061) 20.852 2.638 ( -4.573 -2.640 -9.938) 11.254 2.793 ( -2.329 -1.345 -3.071) 4.082 2.917 ( 4.241 2.449 6.277) 7.962 2.941 ( 7.833 4.522 -23.970) 25.620 3.011 ( 6.844 3.951 6.222) 10.058 3.230 ( -7.330 -4.232 13.963) 16.328 3.264 ( -1.022 -0.590 -7.680) 7.770 3.942 ( -9.999 -5.773 5.678) 12.866 4.009 ( -3.476 -2.007 -4.662) 6.152 4.179 ( -7.848 -4.531 2.814) 9.489 4.210 ( -4.070 -2.350 -2.759) 5.449 4.373 ( -2.795 -1.614 5.162) 6.088 4.482 ( 5.380 3.106 -9.915) 11.701 4.547 ( 5.900 3.406 -11.384) 13.267 4.581 ( 8.259 4.768 13.516) 16.542 4.584 ( 6.902 3.985 11.669) 14.131 4.621 ( 9.576 5.529 -9.539) 14.603 5.407 ( -10.002 -5.775 0.217) 11.552 5.429 ( -6.546 -3.779 -0.459) 7.572 5.547 ( -2.817 -1.626 19.744) 20.010 5.559 ( -2.849 -1.645 -20.483) 20.745 5.747 ( 4.651 2.685 0.606) 5.404 5.749 ( 6.006 3.468 1.411) 7.077 6.256 ( -2.222 -1.283 3.596) 4.417 6.304 ( -3.320 -1.917 2.381) 4.513 6.326 ( -3.067 -1.771 -0.519) 3.579 6.366 ( 7.068 4.081 -7.221) 10.898 6.650 ( -10.920 -6.305 -1.845) 12.744 6.717 ( -4.871 -2.812 3.270) 6.506 6.837 ( -4.514 -2.606 3.964) 6.548 6.857 ( -2.368 -1.367 -4.602) 5.353 7.207 ( 7.498 4.329 3.460) 9.323 7.217 ( 8.714 5.031 -3.651) 10.704 7.370 ( 10.793 6.232 -7.446) 14.518 7.421 ( 15.321 8.845 7.524) 19.224 8.410 ( -0.809 -0.467 2.196) 2.386 8.416 ( -0.147 -0.085 -2.199) 2.206 8.779 ( -34.119 -19.698 14.841) 42.099 8.869 ( -35.168 -20.304 -12.660) 42.536 9.100 ( -3.808 -2.198 -19.175) 19.673 9.304 ( 5.531 3.194 13.534) 14.966 9.466 ( -15.303 -8.835 22.049) 28.256 9.589 ( -6.590 -3.805 -19.167) 20.622 9.949 ( -21.606 -12.474 2.759) 25.100 9.991 ( -18.758 -10.830 -1.507) 21.712 10.333 ( -3.026 -1.747 -0.933) 3.617 10.398 ( 1.929 1.114 -2.005) 2.997 10.596 ( -4.246 -2.451 5.970) 7.726 10.636 ( 3.954 2.283 -3.357) 5.667 10.707 ( 0.436 0.252 -2.438) 2.490 10.719 ( 3.347 1.932 1.634) 4.195 11.241 ( 4.968 2.869 0.599) 5.768 11.255 ( 2.947 1.701 0.293) 3.415 11.514 ( 21.700 12.529 -5.805) 25.721 11.600 ( 24.535 14.166 4.651) 28.710 12.003 ( -6.829 -3.943 8.579) 11.653 12.027 ( -2.191 -1.265 -7.122) 7.558 12.600 ( -12.069 -6.968 5.244) 14.890 12.619 ( -10.762 -6.214 -4.377) 13.176 12.867 ( 4.401 2.541 -0.932) 5.167 12.897 ( 5.421 3.130 -0.139) 6.261 13.400 ( 20.585 11.885 13.768) 27.469 13.480 ( 25.057 14.467 -13.855) 32.080 16.517 ( -33.938 -19.594 -6.890) 39.790 16.558 ( -34.584 -19.967 6.964) 40.537 16.765 ( -5.696 -3.288 -0.281) 6.583 16.768 ( -5.924 -3.420 0.168) 6.843 16.937 ( -2.118 -1.223 0.845) 2.587 16.956 ( 1.630 0.941 -1.351) 2.316 17.457 ( 4.315 2.491 2.620) 5.630 17.469 ( 5.404 3.120 -2.297) 6.650 17.972 ( -4.845 -2.797 1.973) 5.933 17.975 ( -4.579 -2.643 -1.993) 5.650 19.133 ( 3.510 2.026 0.116) 4.054 19.137 ( 4.687 2.706 -1.430) 5.598 19.150 ( 4.191 2.419 1.850) 5.181 19.183 ( 6.265 3.617 -0.584) 7.257 19.832 ( 50.476 29.142 23.593) 62.878 19.844 ( 50.770 29.312 -23.566) 63.183 22.758 ( -7.433 -4.291 -5.668) 10.286 22.758 ( -7.361 -4.250 5.655) 10.209 23.311 ( -3.098 -1.789 -1.951) 4.075 23.311 ( -3.096 -1.788 1.948) 4.072 ======================= Grid point 270 (45/58) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 15.761 9.099 7.378) 19.638 1.618 ( 9.266 5.350 12.007) 16.082 1.680 ( 11.689 6.749 -14.326) 19.682 1.723 ( 19.026 10.984 -4.242) 22.374 2.404 ( -7.366 -4.253 -3.654) 9.257 2.503 ( -4.741 -2.737 21.166) 21.863 2.525 ( -2.733 -1.578 -0.877) 3.276 2.872 ( 18.067 10.431 -26.328) 33.592 2.898 ( 13.231 7.639 11.279) 18.990 2.985 ( 2.201 1.271 2.421) 3.510 2.985 ( 1.573 0.908 -11.022) 11.170 3.182 ( 10.723 6.191 -19.529) 23.124 3.341 ( 26.392 15.237 20.570) 36.767 3.483 ( 10.691 6.173 8.963) 15.256 3.711 ( -4.999 -2.886 6.482) 8.679 3.930 ( -3.122 -1.802 -3.136) 4.778 3.987 ( -7.781 -4.492 -7.795) 11.895 4.149 ( -1.225 -0.707 4.848) 5.050 4.244 ( -7.421 -4.284 2.130) 8.830 4.546 ( -1.896 -1.095 1.090) 2.446 4.683 ( 3.869 2.234 -10.067) 11.014 4.718 ( 3.598 2.077 12.174) 12.863 4.757 ( 5.847 3.376 12.593) 14.289 4.800 ( 3.176 1.834 -17.544) 17.923 5.176 ( -7.337 -4.236 -8.733) 12.166 5.343 ( 1.166 0.673 7.182) 7.307 5.461 ( -4.509 -2.603 15.265) 16.129 5.510 ( -0.951 -0.549 -17.131) 17.166 5.750 ( -4.367 -2.521 0.201) 5.046 5.878 ( 4.674 2.699 2.817) 6.088 6.132 ( -8.855 -5.112 -0.397) 10.232 6.175 ( -6.716 -3.878 -0.821) 7.798 6.206 ( -2.113 -1.220 4.971) 5.538 6.526 ( 3.618 2.089 -9.414) 10.300 6.527 ( -0.743 -0.429 -5.062) 5.134 6.710 ( 1.960 1.131 12.354) 12.560 6.731 ( -4.121 -2.379 10.423) 11.458 6.862 ( 3.859 2.228 -12.635) 13.397 7.394 ( 8.026 4.634 6.524) 11.333 7.469 ( 12.285 7.093 -7.006) 15.821 7.556 ( 4.689 2.707 -13.803) 14.827 7.765 ( 13.139 7.586 13.255) 20.146 8.038 ( -23.592 -13.621 13.440) 30.377 8.170 ( -20.296 -11.718 -11.457) 26.087 8.411 ( -0.373 -0.215 3.689) 3.714 8.444 ( 1.506 0.870 -3.555) 3.958 8.997 ( -4.893 -2.825 -14.586) 15.642 9.294 ( -11.339 -6.547 5.883) 14.354 9.385 ( -14.430 -8.331 8.001) 18.483 9.421 ( -7.024 -4.055 8.933) 12.066 9.621 ( -6.204 -3.582 12.361) 14.286 9.631 ( 4.386 2.532 -22.692) 23.250 10.239 ( -4.743 -2.738 0.198) 5.480 10.409 ( -8.917 -5.148 5.438) 11.644 10.454 ( 1.049 0.606 -1.496) 1.925 10.590 ( -6.516 -3.762 -4.312) 8.672 10.784 ( 5.711 3.297 -1.226) 6.707 10.793 ( 3.629 2.095 1.939) 4.618 11.292 ( -0.425 -0.246 4.333) 4.361 11.340 ( 4.392 2.536 -2.030) 5.463 11.629 ( -9.561 -5.520 -4.932) 12.091 11.677 ( -5.691 -3.286 0.208) 6.575 11.997 ( 4.011 2.316 5.067) 6.865 12.259 ( 11.930 6.888 -3.629) 14.246 12.336 ( -12.287 -7.094 -0.912) 14.217 12.388 ( -2.928 -1.690 1.851) 3.854 12.969 ( 4.546 2.625 0.215) 5.253 12.999 ( 3.385 1.955 -0.318) 3.922 13.945 ( 23.680 13.672 8.623) 28.671 14.054 ( 22.111 12.766 -8.303) 26.847 15.789 ( -26.178 -15.114 -2.050) 30.297 15.813 ( -27.727 -16.008 2.070) 32.083 16.578 ( -9.934 -5.735 0.483) 11.481 16.592 ( -8.745 -5.049 -0.364) 10.104 16.962 ( 1.249 0.721 0.789) 1.644 17.057 ( 4.169 2.407 -1.406) 5.015 17.613 ( 7.284 4.205 1.517) 8.546 17.672 ( 11.310 6.530 -2.171) 13.239 17.834 ( -6.101 -3.523 4.648) 8.440 17.858 ( -3.373 -1.947 -3.536) 5.261 19.225 ( 3.820 2.205 -1.707) 4.730 19.249 ( 4.235 2.445 2.039) 5.298 19.290 ( 7.459 4.306 0.235) 8.616 19.360 ( 8.405 4.853 -0.498) 9.719 20.753 ( 28.996 16.741 23.677) 41.007 20.775 ( 29.466 17.012 -23.905) 41.582 22.580 ( -6.855 -3.958 -8.581) 11.675 22.584 ( -6.654 -3.842 8.666) 11.582 23.203 ( -6.089 -3.515 -3.294) 7.764 23.204 ( -6.019 -3.475 3.233) 7.665 ======================= Grid point 272 (46/58) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 9.515 5.493 -0.117) 10.987 1.723 ( 1.953 1.127 11.999) 12.209 1.890 ( 8.144 4.702 -9.104) 13.089 2.172 ( 5.902 3.408 -6.109) 9.152 2.262 ( 7.956 4.593 -2.148) 9.434 2.348 ( -6.604 -3.813 -2.077) 7.903 2.437 ( -0.368 -0.212 14.578) 14.584 2.865 ( -4.400 -2.541 16.851) 17.600 2.990 ( 3.031 1.750 -19.712) 20.021 3.119 ( -5.547 -3.202 -1.347) 6.545 3.221 ( 10.662 6.156 1.930) 12.461 3.454 ( 6.141 3.546 -16.347) 17.818 3.575 ( 4.647 2.683 7.565) 9.275 3.834 ( -2.819 -1.627 3.094) 4.491 3.836 ( -0.952 -0.550 -8.658) 8.728 3.985 ( -6.740 -3.891 3.922) 8.715 3.999 ( 17.596 10.159 2.101) 20.426 4.186 ( 4.974 2.871 2.187) 6.145 4.223 ( 24.684 14.251 4.069) 28.791 4.380 ( -4.933 -2.848 9.540) 11.112 4.663 ( -3.083 -1.780 -0.776) 3.643 4.726 ( -2.028 -1.171 0.007) 2.342 4.790 ( -1.521 -0.878 -11.999) 12.126 4.823 ( -0.787 -0.454 5.263) 5.341 5.106 ( -0.062 -0.036 -4.903) 4.903 5.355 ( -4.420 -2.552 8.570) 9.974 5.482 ( 7.173 4.141 0.988) 8.341 5.516 ( 2.032 1.173 -7.595) 7.949 5.651 ( -1.592 -0.919 -3.126) 3.626 5.934 ( -3.474 -2.006 -3.349) 5.225 5.974 ( -1.378 -0.796 -3.130) 3.512 6.096 ( 0.557 0.322 4.945) 4.986 6.151 ( -2.641 -1.525 6.833) 7.482 6.520 ( -2.433 -1.405 -10.414) 10.786 6.548 ( 2.160 1.247 1.696) 3.016 6.663 ( -1.391 -0.803 9.717) 9.849 6.764 ( 2.626 1.516 12.018) 12.394 6.990 ( 4.664 2.693 -13.436) 14.476 7.513 ( -11.547 -6.667 -4.256) 13.996 7.576 ( 7.515 4.339 7.224) 11.291 7.690 ( -1.101 -0.636 -6.205) 6.334 7.715 ( 1.606 0.927 -6.234) 6.504 7.860 ( -1.740 -1.005 -3.369) 3.923 8.069 ( 10.500 6.062 15.362) 19.570 8.407 ( -1.427 -0.824 2.860) 3.301 8.480 ( 0.658 0.380 -3.653) 3.731 8.865 ( -12.496 -7.215 -4.338) 15.067 8.883 ( -18.507 -10.685 3.893) 21.721 8.900 ( -10.857 -6.268 -5.599) 13.730 9.354 ( -6.182 -3.569 0.821) 7.186 9.704 ( 8.295 4.789 16.095) 18.730 9.775 ( 6.993 4.037 -18.016) 19.743 10.101 ( -7.564 -4.367 3.225) 9.311 10.200 ( -7.492 -4.325 3.272) 9.249 10.446 ( -2.969 -1.714 -0.712) 3.501 10.456 ( -3.392 -1.958 -1.053) 4.056 10.905 ( 5.544 3.201 3.186) 7.151 10.918 ( 5.212 3.009 -3.082) 6.762 11.232 ( -3.971 -2.293 2.092) 5.040 11.372 ( -7.463 -4.309 -2.531) 8.982 11.474 ( 2.691 1.554 -0.914) 3.239 11.532 ( -4.259 -2.459 1.029) 5.024 11.950 ( -6.001 -3.465 -3.997) 7.999 12.050 ( -10.833 -6.255 3.582) 13.012 12.469 ( 5.868 3.388 -4.541) 8.157 12.485 ( 7.288 4.208 4.775) 9.676 13.070 ( 3.028 1.748 0.310) 3.511 13.076 ( 4.478 2.585 -0.712) 5.219 14.415 ( 14.472 8.355 2.479) 16.893 14.471 ( 12.615 7.283 -2.228) 14.736 15.266 ( -18.405 -10.626 -1.312) 21.292 15.304 ( -14.767 -8.526 1.457) 17.114 16.343 ( -8.837 -5.102 0.962) 10.249 16.393 ( -7.119 -4.110 -0.764) 8.256 16.969 ( -0.969 -0.560 -0.545) 1.245 17.124 ( 1.243 0.718 0.280) 1.463 17.586 ( -7.077 -4.086 -4.187) 9.182 17.662 ( -6.472 -3.737 3.548) 8.273 18.014 ( 15.552 8.979 -1.502) 18.020 18.017 ( 14.213 8.206 2.203) 16.559 19.284 ( 0.774 0.447 -4.319) 4.410 19.312 ( 0.763 0.440 5.009) 5.086 19.475 ( 7.997 4.617 -0.794) 9.269 19.555 ( 7.795 4.501 0.121) 9.002 21.272 ( 17.129 9.889 15.598) 25.189 21.302 ( 17.214 9.938 -16.013) 25.524 22.454 ( -3.998 -2.308 -7.810) 9.073 22.464 ( -3.639 -2.101 8.357) 9.354 23.031 ( -8.519 -4.919 -4.954) 11.014 23.035 ( -8.300 -4.792 4.631) 10.645 ======================= Grid point 274 (47/58) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 3.445 1.989 -0.186) 3.982 1.750 ( 1.742 1.006 3.125) 3.717 2.074 ( 6.403 3.697 -1.644) 7.574 2.094 ( -3.255 -1.879 -0.742) 3.831 2.282 ( -0.311 -0.180 -4.856) 4.869 2.490 ( 3.386 1.955 12.439) 13.039 2.630 ( 8.011 4.625 -3.567) 9.915 2.791 ( 4.223 2.438 9.703) 10.859 2.896 ( -9.544 -5.510 3.477) 11.556 3.100 ( 5.547 3.202 -19.767) 20.779 3.419 ( -6.818 -3.936 -2.715) 8.328 3.422 ( 3.141 1.814 6.665) 7.588 3.708 ( 7.290 4.209 -11.827) 14.516 3.719 ( -8.074 -4.662 4.282) 10.260 3.740 ( -4.555 -2.630 5.874) 7.885 3.820 ( -1.306 -0.754 -4.776) 5.008 4.102 ( -13.082 -7.553 -3.829) 15.584 4.107 ( -8.546 -4.934 5.116) 11.116 4.278 ( 7.259 4.191 9.665) 12.794 4.586 ( -3.105 -1.793 0.710) 3.655 4.708 ( -1.684 -0.973 -9.760) 9.952 4.747 ( -3.756 -2.168 -3.228) 5.407 4.911 ( 18.425 10.637 5.656) 22.014 5.079 ( 3.125 1.804 6.618) 7.538 5.160 ( 25.628 14.796 -1.573) 29.635 5.275 ( -0.844 -0.487 1.369) 1.681 5.558 ( 3.315 1.914 -8.221) 9.069 5.591 ( -4.050 -2.338 -8.058) 9.316 5.605 ( 0.322 0.186 7.555) 7.564 5.934 ( -2.704 -1.561 4.206) 5.239 5.948 ( 5.830 3.366 -6.292) 9.214 6.097 ( -1.781 -1.028 3.177) 3.785 6.166 ( 3.735 2.157 7.316) 8.493 6.442 ( -4.289 -2.476 -12.322) 13.280 6.627 ( 4.588 2.649 5.634) 7.734 6.692 ( 4.179 2.412 7.229) 8.691 6.834 ( 3.390 1.957 8.992) 9.807 7.028 ( -1.058 -0.611 -14.294) 14.346 7.246 ( -9.578 -5.530 0.241) 11.063 7.519 ( -10.671 -6.161 1.851) 12.460 7.731 ( 4.684 2.704 8.265) 9.878 7.736 ( 2.939 1.697 -14.432) 14.825 7.990 ( 2.260 1.305 -2.636) 3.710 8.219 ( -2.223 -1.283 11.285) 11.573 8.286 ( -5.174 -2.987 -1.955) 6.286 8.407 ( -3.995 -2.306 1.890) 4.985 8.587 ( -4.193 -2.421 -6.158) 7.833 8.647 ( -2.588 -1.494 4.284) 5.223 8.812 ( -1.180 -0.681 2.800) 3.114 9.169 ( -8.683 -5.013 -7.639) 12.605 9.908 ( 7.663 4.424 9.138) 12.720 9.916 ( -2.031 -1.172 -4.757) 5.303 9.929 ( 1.083 0.626 -6.067) 6.194 10.086 ( -1.857 -1.072 3.433) 4.048 10.310 ( -7.912 -4.568 1.860) 9.323 10.418 ( -1.136 -0.656 -0.610) 1.447 11.007 ( 2.605 1.504 6.522) 7.182 11.010 ( 2.590 1.495 -4.600) 5.486 11.148 ( -2.739 -1.581 -3.954) 5.063 11.196 ( -6.134 -3.541 2.491) 7.508 11.523 ( 2.947 1.701 -1.368) 3.668 11.545 ( 1.420 0.820 1.225) 2.047 11.797 ( -6.071 -3.505 -8.137) 10.740 11.862 ( -4.662 -2.692 7.918) 9.574 12.563 ( 2.764 1.596 -5.834) 6.650 12.619 ( 3.571 2.062 5.504) 6.878 13.149 ( 3.719 2.147 1.500) 4.548 13.174 ( 3.767 2.175 -1.863) 4.732 14.544 ( -2.136 -1.233 1.532) 2.904 14.579 ( -3.157 -1.822 -0.951) 3.767 15.007 ( -3.967 -2.290 -2.592) 5.263 15.112 ( -3.775 -2.180 2.597) 5.074 16.251 ( 2.633 1.520 1.219) 3.276 16.316 ( 1.427 0.824 -0.984) 1.920 16.897 ( -5.550 -3.204 -0.023) 6.409 17.073 ( -6.899 -3.983 -1.379) 8.085 17.440 ( -3.654 -2.110 -1.684) 4.543 17.530 ( -4.470 -2.581 1.963) 5.522 18.378 ( 15.625 9.021 5.016) 18.726 18.389 ( 15.867 9.161 -4.199) 18.796 19.249 ( -3.913 -2.259 -6.692) 8.075 19.274 ( -4.126 -2.382 6.949) 8.426 19.645 ( 6.208 3.584 -1.116) 7.255 19.707 ( 4.949 2.857 0.676) 5.755 21.605 ( 11.866 6.851 8.138) 15.936 21.629 ( 11.351 6.554 -8.713) 15.739 22.389 ( -1.682 -0.971 -3.414) 3.928 22.408 ( -1.334 -0.770 4.731) 4.975 22.818 ( -9.254 -5.343 -5.568) 12.049 22.829 ( -8.914 -5.146 4.721) 11.324 ======================= Grid point 276 (48/58) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 5.752 3.321 4.421) 7.979 1.842 ( 4.616 2.665 -1.470) 5.529 2.050 ( 0.516 0.298 -3.852) 3.897 2.169 ( -2.316 -1.337 7.439) 7.905 2.225 ( -0.039 -0.023 -14.332) 14.332 2.399 ( -9.815 -5.667 9.468) 14.768 2.712 ( 4.577 2.642 8.163) 9.724 2.768 ( -1.421 -0.820 -0.372) 1.682 3.056 ( 9.242 5.336 -5.991) 12.239 3.181 ( -2.469 -1.426 -5.331) 6.045 3.304 ( 0.817 0.472 -10.229) 10.273 3.332 ( -2.925 -1.689 7.700) 8.408 3.614 ( -3.474 -2.006 9.360) 10.183 3.680 ( -8.205 -4.737 -1.790) 9.642 3.766 ( 4.104 2.369 6.018) 7.660 3.848 ( -4.561 -2.633 -4.912) 7.202 3.898 ( 4.466 2.579 -13.455) 14.409 3.969 ( -2.980 -1.720 7.450) 8.206 4.385 ( 2.683 1.549 7.465) 8.082 4.475 ( -5.332 -3.078 0.239) 6.162 4.688 ( -0.314 -0.181 -2.671) 2.696 4.688 ( -0.850 -0.491 -5.778) 5.861 5.070 ( 0.876 0.506 6.483) 6.562 5.110 ( -0.098 -0.057 -3.424) 3.426 5.324 ( 3.104 1.792 -6.214) 7.174 5.462 ( -6.685 -3.860 8.984) 11.845 5.652 ( 5.136 2.965 -3.514) 6.894 5.664 ( 8.127 4.692 0.515) 9.398 5.800 ( 18.390 10.617 -3.888) 21.587 5.867 ( -0.245 -0.141 8.810) 8.815 6.016 ( -6.681 -3.858 -6.380) 10.011 6.047 ( -1.394 -0.805 1.827) 2.435 6.245 ( 3.521 2.033 4.446) 6.025 6.336 ( -4.250 -2.454 -7.195) 8.710 6.741 ( 4.260 2.460 8.520) 9.839 6.792 ( 1.184 0.684 -3.018) 3.313 6.922 ( 4.361 2.518 3.302) 6.022 7.018 ( 0.353 0.204 -6.767) 6.779 7.084 ( -1.545 -0.892 -2.187) 2.822 7.267 ( -10.756 -6.210 4.090) 13.077 7.751 ( -1.188 -0.686 5.164) 5.343 7.771 ( -0.931 -0.538 -9.818) 9.876 7.963 ( -0.175 -0.101 1.800) 1.811 8.022 ( -6.796 -3.924 0.976) 7.908 8.319 ( 4.592 2.651 1.775) 5.592 8.405 ( -1.583 -0.914 -2.616) 3.191 8.562 ( 1.537 0.887 2.851) 3.359 8.614 ( -1.830 -1.057 -0.663) 2.215 8.846 ( 3.917 2.261 8.589) 9.707 8.979 ( -7.192 -4.152 -10.241) 13.185 9.872 ( 2.505 1.446 -1.602) 3.307 9.976 ( -2.128 -1.229 2.919) 3.815 10.005 ( 1.696 0.979 -6.756) 7.034 10.048 ( -4.344 -2.508 5.128) 7.173 10.234 ( 4.847 2.798 5.031) 7.525 10.360 ( -4.248 -2.453 -4.211) 6.465 11.038 ( 0.458 0.265 5.591) 5.616 11.044 ( 0.239 0.138 -4.906) 4.914 11.104 ( -1.360 -0.785 6.072) 6.272 11.107 ( -0.888 -0.513 -5.779) 5.870 11.543 ( -0.323 -0.186 2.897) 2.920 11.563 ( -1.180 -0.681 -2.450) 2.803 11.743 ( 2.273 1.313 -9.784) 10.130 11.805 ( -1.863 -1.076 9.238) 9.485 12.617 ( 2.035 1.175 -6.181) 6.612 12.652 ( -0.488 -0.282 5.706) 5.734 13.227 ( 2.367 1.367 2.335) 3.595 13.239 ( 1.422 0.821 -2.427) 2.930 14.468 ( -2.262 -1.306 1.626) 3.077 14.476 ( -3.114 -1.798 -1.438) 3.872 14.972 ( 0.039 0.022 -3.277) 3.277 15.020 ( -3.889 -2.245 3.402) 5.634 16.450 ( 8.642 4.990 -1.176) 10.048 16.450 ( 11.943 6.895 1.881) 13.918 16.719 ( -8.517 -4.917 1.241) 9.912 16.817 ( -13.337 -7.700 -2.961) 15.682 17.419 ( 0.805 0.465 1.060) 1.410 17.454 ( -2.216 -1.280 -0.459) 2.600 18.703 ( 10.740 6.201 6.710) 14.100 18.715 ( 10.317 5.956 -6.184) 13.422 19.118 ( -5.882 -3.396 -8.053) 10.535 19.134 ( -6.674 -3.853 7.902) 11.038 19.754 ( 2.931 1.692 -1.138) 3.570 19.777 ( 0.998 0.576 0.989) 1.519 21.821 ( 5.743 3.316 0.863) 6.687 21.829 ( 4.993 2.882 -1.291) 5.908 22.372 ( 0.262 0.151 6.776) 6.783 22.389 ( -0.671 -0.387 -5.963) 6.013 22.638 ( -4.767 -2.752 -1.217) 5.638 22.650 ( -5.354 -3.091 0.802) 6.235 ======================= Grid point 290 (49/58) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 24.674 11.580 -10.726) 29.290 1.337 ( -2.308 27.158 10.726) 29.290 1.616 ( 6.591 10.615 -21.515) 24.880 1.616 ( 5.897 11.016 21.515) 24.880 2.453 ( -3.450 -2.019 -5.664) 6.933 2.453 ( -0.023 -3.997 5.664) 6.933 2.664 ( 10.298 11.297 -6.133) 16.470 2.664 ( 4.634 14.567 6.133) 16.470 2.925 ( 0.151 14.849 -5.957) 16.000 2.925 ( 12.784 7.555 5.957) 16.000 3.002 ( 0.445 0.419 -10.656) 10.673 3.002 ( 0.141 0.594 10.656) 10.673 3.345 ( 3.961 14.429 -10.214) 18.116 3.345 ( 10.515 10.645 10.214) 18.116 3.828 ( 0.880 -12.138 -6.618) 13.853 3.828 ( -10.952 -5.307 6.618) 13.853 4.118 ( -3.748 -2.664 -9.889) 10.906 4.118 ( -0.433 -4.578 9.889) 10.906 4.387 ( 5.236 -8.387 -5.302) 11.219 4.387 ( -9.881 0.341 5.302) 11.219 4.645 ( 5.277 1.918 -1.216) 5.745 4.645 ( -0.978 5.529 1.216) 5.745 4.800 ( 5.632 8.895 -6.196) 12.216 4.800 ( 4.887 9.325 6.196) 12.216 5.282 ( -7.580 -4.114 -6.139) 10.586 5.282 ( 0.228 -8.621 6.139) 10.586 5.501 ( -0.820 -3.911 -17.726) 18.171 5.501 ( -2.977 -2.665 17.726) 18.171 5.815 ( -0.643 3.917 -3.005) 4.979 5.815 ( 3.714 1.401 3.005) 4.979 6.178 ( -4.460 -8.664 -4.221) 10.620 6.178 ( -5.273 -8.195 4.221) 10.620 6.370 ( 6.527 -2.277 -8.321) 10.818 6.370 ( -5.236 4.514 8.321) 10.818 6.633 ( -3.769 2.946 -11.701) 12.641 6.633 ( 4.436 -1.791 11.701) 12.641 6.801 ( 2.331 -3.393 -10.046) 10.857 6.801 ( -4.104 0.322 10.046) 10.857 7.365 ( 6.662 8.666 -9.368) 14.396 7.365 ( 4.174 10.102 9.368) 14.396 7.604 ( 0.570 14.085 -12.337) 18.732 7.604 ( 11.913 7.536 12.337) 18.732 8.247 ( -11.075 -27.938 -14.181) 33.231 8.247 ( -18.658 -23.561 14.181) 33.231 8.429 ( 0.413 -1.051 -3.242) 3.433 8.429 ( -1.117 -0.168 3.242) 3.433 9.144 ( -11.962 1.086 -14.694) 18.979 9.144 ( 6.921 -9.817 14.694) 18.979 9.528 ( 3.153 -4.346 -16.878) 17.711 9.528 ( -5.340 0.557 16.878) 17.711 9.637 ( -6.996 -14.006 -9.025) 18.071 9.637 ( -8.632 -13.062 9.025) 18.071 10.326 ( -2.648 -4.237 -5.983) 7.796 10.326 ( -2.346 -4.412 5.983) 7.796 10.567 ( 3.776 -7.034 -4.399) 9.115 10.567 ( -7.979 -0.247 4.399) 9.115 10.777 ( 0.271 5.928 -1.871) 6.222 10.777 ( 4.998 3.198 1.871) 6.222 11.295 ( 3.708 -0.031 -3.437) 5.056 11.295 ( -1.880 3.196 3.437) 5.056 11.691 ( -2.504 -5.000 -3.707) 6.709 11.691 ( -3.078 -4.669 3.707) 6.709 12.082 ( 13.742 5.655 -4.375) 15.490 12.082 ( -1.973 14.728 4.375) 15.490 12.411 ( -6.293 -10.170 -2.261) 12.171 12.411 ( -5.662 -10.535 2.261) 12.171 12.954 ( 1.932 4.294 -2.484) 5.324 12.954 ( 2.753 3.820 2.484) 5.324 13.858 ( 17.946 21.627 -10.554) 30.020 13.858 ( 9.756 26.355 10.554) 30.020 15.985 ( -18.155 -28.192 -4.799) 33.874 15.985 ( -15.338 -29.819 4.799) 33.874 16.635 ( -4.602 -9.281 -0.635) 10.379 16.635 ( -5.737 -8.626 0.635) 10.379 17.013 ( 5.619 2.480 -3.627) 7.133 17.013 ( -0.662 6.106 3.627) 7.133 17.546 ( 5.205 5.246 -3.274) 8.083 17.546 ( 1.941 7.131 3.274) 8.083 17.868 ( -3.557 -6.821 -4.119) 8.726 17.868 ( -4.129 -6.491 4.119) 8.726 19.150 ( 0.498 2.841 -3.214) 4.318 19.150 ( 2.211 1.851 3.214) 4.318 19.384 ( 6.856 13.656 -1.017) 15.314 19.384 ( 8.399 12.766 1.017) 15.314 20.546 ( 19.818 32.599 -25.934) 46.130 20.546 ( 18.323 33.462 25.934) 46.130 22.626 ( -4.386 -7.368 -8.464) 12.049 22.626 ( -4.188 -7.483 8.464) 12.049 23.239 ( -3.088 -5.324 -2.852) 6.783 23.239 ( -3.066 -5.336 2.852) 6.783 ======================= Grid point 292 (50/58) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 1.526 18.097 5.109) 18.866 1.719 ( 3.080 4.972 10.880) 12.352 1.807 ( 6.947 6.097 -13.192) 16.108 1.911 ( 23.056 8.227 -5.978) 25.199 2.282 ( -6.517 -6.055 0.798) 8.931 2.330 ( -2.207 -8.113 2.856) 8.880 2.616 ( -11.065 6.495 10.029) 16.285 2.888 ( 6.511 -6.424 -6.952) 11.488 2.920 ( 0.915 0.274 12.480) 12.516 2.984 ( 6.543 -0.558 -15.375) 16.718 3.315 ( -3.777 18.209 -3.851) 18.991 3.466 ( 6.425 14.139 -11.988) 19.619 3.534 ( 2.241 1.972 9.777) 10.223 3.648 ( 12.352 -5.342 2.840) 13.754 3.828 ( 12.459 15.551 -1.548) 19.987 3.864 ( 18.734 18.896 6.317) 27.348 4.018 ( -4.098 3.960 -3.131) 6.503 4.115 ( 2.756 -2.145 3.064) 4.646 4.177 ( -9.225 -2.519 2.193) 9.811 4.371 ( 3.329 -13.493 -1.721) 14.004 4.590 ( -6.013 -3.866 9.148) 11.610 4.703 ( 3.359 -6.479 -8.582) 11.266 4.856 ( -3.807 1.013 -3.084) 5.003 4.874 ( -1.818 0.719 2.052) 2.834 5.162 ( -5.474 2.124 -3.966) 7.086 5.310 ( 5.699 -5.437 3.894) 8.786 5.422 ( -1.560 1.511 8.705) 8.972 5.483 ( 2.487 -1.287 -10.590) 10.954 5.776 ( -6.283 5.687 -0.922) 8.525 5.918 ( 5.852 1.133 2.930) 6.642 6.027 ( -5.196 -4.753 -3.611) 7.914 6.044 ( -1.164 -3.550 0.407) 3.758 6.286 ( -7.208 2.994 6.904) 10.420 6.420 ( 3.117 -5.731 -6.944) 9.528 6.622 ( -1.949 2.801 -7.510) 8.249 6.685 ( 1.985 -1.433 11.992) 12.239 6.754 ( -2.741 4.502 11.305) 12.473 6.889 ( 8.140 0.366 -12.856) 15.221 7.517 ( 2.856 5.689 7.490) 9.829 7.588 ( 8.520 2.620 -7.488) 11.641 7.676 ( -6.635 5.984 -12.640) 15.480 7.791 ( -6.696 -3.167 6.191) 9.653 7.882 ( -1.134 -8.504 1.598) 8.727 7.912 ( 6.356 -0.860 5.865) 8.692 8.430 ( -0.816 1.686 3.986) 4.404 8.462 ( 1.933 0.659 -4.148) 4.624 8.893 ( -11.525 -12.372 0.379) 16.912 8.970 ( -9.367 -19.542 -3.697) 21.984 9.205 ( -16.454 -0.578 -6.794) 17.811 9.405 ( 0.596 -5.632 10.746) 12.147 9.629 ( 1.458 5.163 12.836) 13.912 9.707 ( 6.234 3.794 -16.811) 18.327 10.173 ( -5.410 -4.023 2.239) 7.104 10.232 ( -3.051 -9.885 0.426) 10.354 10.450 ( -5.639 1.071 2.576) 6.291 10.551 ( -0.268 -1.922 -2.883) 3.475 10.845 ( 1.722 5.364 -1.326) 5.788 10.915 ( 5.050 4.792 1.065) 7.042 11.240 ( -3.792 -1.427 2.705) 4.872 11.356 ( 2.882 -5.010 -1.989) 6.113 11.523 ( -6.632 -2.601 0.626) 7.152 11.584 ( -1.781 -3.951 -2.184) 4.853 12.036 ( -9.264 -2.689 0.820) 9.681 12.131 ( -6.802 -11.204 0.032) 13.107 12.380 ( 5.541 4.835 0.209) 7.357 12.413 ( 7.630 4.874 -0.281) 9.058 13.029 ( 2.411 3.480 -1.970) 4.670 13.051 ( 3.875 3.413 1.944) 5.517 14.284 ( 11.724 16.116 0.388) 19.933 14.334 ( 14.816 13.955 -0.052) 20.353 15.423 ( -18.485 -18.865 -5.407) 26.960 15.468 ( -14.572 -17.887 5.155) 23.640 16.420 ( -7.763 -8.326 1.432) 11.473 16.447 ( -5.437 -8.509 -1.450) 10.201 17.024 ( -3.646 4.430 1.711) 5.987 17.120 ( 3.219 2.134 -1.904) 4.306 17.631 ( -2.006 -3.081 -2.032) 4.201 17.670 ( -0.151 -6.669 1.692) 6.882 17.813 ( 8.227 1.304 -0.358) 8.338 17.822 ( 9.878 3.723 0.950) 10.598 19.181 ( 1.517 0.091 -1.805) 2.360 19.230 ( 4.996 -2.121 2.054) 5.803 19.633 ( 1.128 22.205 -1.171) 22.265 19.668 ( 3.798 19.681 0.923) 20.065 21.080 ( 15.835 14.185 17.448) 27.503 21.098 ( 17.114 13.605 -17.610) 28.073 22.490 ( -3.913 -4.467 -9.458) 11.168 22.495 ( -3.476 -4.521 9.633) 11.195 23.097 ( -5.909 -6.946 -4.302) 10.083 23.098 ( -5.753 -6.935 4.194) 9.939 ======================= Grid point 294 (51/58) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -0.090 5.485 3.380) 6.443 1.764 ( -1.043 2.182 1.397) 2.793 1.987 ( 6.373 4.274 -4.632) 8.964 2.160 ( -2.376 -2.329 2.262) 4.023 2.245 ( 3.911 1.035 -6.029) 7.260 2.411 ( 16.829 6.045 -1.476) 17.943 2.544 ( -4.218 7.354 8.751) 12.184 2.819 ( -5.126 -1.115 16.254) 17.080 2.988 ( 3.162 -2.596 -8.245) 9.204 3.087 ( -2.210 0.592 -8.641) 8.939 3.255 ( 5.107 -0.992 -2.021) 5.581 3.492 ( -3.362 -7.324 -1.007) 8.121 3.629 ( 4.245 6.289 -7.465) 10.644 3.742 ( 1.567 -2.440 5.555) 6.266 3.854 ( -9.726 -6.230 5.035) 12.600 3.908 ( -7.499 1.990 -6.798) 10.315 4.090 ( -4.063 -9.915 -0.914) 10.754 4.217 ( 3.724 4.146 5.524) 7.847 4.299 ( -6.728 0.520 0.876) 6.805 4.502 ( 7.417 -1.913 1.432) 7.793 4.616 ( 18.005 4.066 4.063) 18.900 4.670 ( 1.852 -8.515 -6.314) 10.761 4.835 ( 4.776 11.724 2.227) 12.854 4.922 ( 11.644 14.110 -1.280) 18.339 5.098 ( -1.816 -1.546 1.277) 2.706 5.243 ( -0.836 -7.417 2.703) 7.939 5.498 ( 3.404 -1.691 0.687) 3.862 5.528 ( 2.631 0.910 -5.092) 5.804 5.738 ( -6.529 3.054 -5.290) 8.941 5.947 ( -0.539 -0.731 -3.126) 3.255 5.979 ( -0.228 6.610 2.797) 7.181 6.098 ( 4.784 4.169 2.734) 6.909 6.196 ( -4.892 1.484 8.265) 9.718 6.389 ( 1.097 -7.294 -9.574) 12.086 6.614 ( -0.453 1.097 -3.850) 4.028 6.720 ( 1.121 5.241 11.326) 12.530 6.790 ( 1.797 2.648 8.919) 9.475 7.004 ( 3.819 -0.764 -11.164) 11.824 7.373 ( -11.230 -6.059 0.084) 12.760 7.582 ( -3.343 -8.876 -1.150) 9.554 7.719 ( 1.308 8.218 6.230) 10.395 7.747 ( -0.649 4.554 -12.003) 12.854 7.924 ( 6.040 3.186 -3.372) 7.616 8.123 ( 10.113 -0.187 11.433) 15.265 8.367 ( -7.442 -4.830 1.919) 9.077 8.456 ( -3.013 -4.022 -1.326) 5.198 8.607 ( -3.385 -7.677 4.813) 9.672 8.635 ( -6.388 -9.413 -5.625) 12.690 9.002 ( -11.831 7.011 -2.984) 14.073 9.298 ( -8.206 -2.877 -0.766) 8.730 9.744 ( 6.885 -1.017 7.238) 10.042 9.853 ( 6.663 2.406 -11.206) 13.257 10.046 ( -5.279 -0.309 1.187) 5.420 10.112 ( -2.279 -2.291 3.705) 4.916 10.358 ( -6.139 -1.532 3.432) 7.198 10.517 ( -3.379 2.123 -2.279) 4.596 10.936 ( 4.069 1.868 -1.097) 4.610 11.030 ( 2.254 4.182 0.998) 4.855 11.150 ( -2.446 -4.076 -0.474) 4.777 11.253 ( -4.905 -5.833 1.027) 7.690 11.493 ( 1.727 3.514 1.099) 4.067 11.602 ( 0.725 5.599 -1.243) 5.781 11.834 ( -6.145 -7.762 -6.044) 11.600 11.894 ( -7.253 -9.269 5.041) 12.804 12.501 ( 4.363 1.088 -0.393) 4.514 12.570 ( 5.093 2.358 0.769) 5.665 13.111 ( 3.059 3.576 -0.248) 4.713 13.157 ( 3.423 4.477 -0.008) 5.635 14.494 ( 2.150 -0.047 -0.454) 2.197 14.625 ( 4.477 4.442 2.286) 6.709 14.993 ( -8.952 -14.205 -5.344) 17.621 15.142 ( -6.405 -10.459 3.797) 12.839 16.257 ( -2.931 -1.593 2.228) 4.012 16.331 ( -0.836 -0.460 -2.268) 2.461 16.977 ( -5.443 1.311 0.318) 5.608 17.160 ( -1.634 1.629 -0.126) 2.311 17.474 ( -6.020 -6.865 -4.544) 10.199 17.543 ( -3.191 -7.400 3.442) 8.763 18.097 ( 17.852 2.619 3.603) 18.399 18.135 ( 17.811 3.787 -2.610) 18.395 19.183 ( 0.267 -3.683 -2.576) 4.502 19.255 ( 1.654 -5.358 2.740) 6.241 19.856 ( -4.285 26.480 -2.079) 26.905 19.899 ( -3.086 24.106 1.814) 24.370 21.431 ( 13.917 5.562 9.634) 17.817 21.459 ( 14.131 5.406 -9.977) 18.123 22.400 ( -2.239 -3.068 -7.486) 8.394 22.414 ( -1.676 -2.996 8.199) 8.889 22.900 ( -7.640 -7.794 -5.152) 12.069 22.906 ( -7.278 -7.691 4.680) 11.577 ======================= Grid point 296 (52/58) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 2.913 5.454 -0.406) 6.196 1.808 ( 4.081 5.485 2.446) 7.261 2.079 ( -1.510 0.207 -0.958) 1.801 2.126 ( 2.977 0.430 1.494) 3.358 2.296 ( -3.038 2.655 -9.554) 10.371 2.517 ( -7.638 -1.084 8.917) 11.791 2.648 ( 4.662 -0.539 4.485) 6.491 2.763 ( 0.271 -0.505 7.996) 8.016 2.967 ( 5.219 4.950 -3.673) 8.077 3.178 ( 4.815 4.799 -14.543) 16.053 3.271 ( -2.165 -6.093 0.062) 6.467 3.381 ( -3.218 -6.220 -1.962) 7.272 3.590 ( -3.711 -8.959 9.539) 13.602 3.721 ( -0.536 -6.172 -3.484) 7.108 3.754 ( 3.644 4.914 4.493) 7.590 3.870 ( -3.106 2.065 -6.670) 7.642 3.887 ( -3.527 -4.873 -2.045) 6.353 4.057 ( -9.765 -3.870 2.193) 10.731 4.334 ( 4.047 -0.889 6.827) 7.986 4.496 ( -1.829 -6.219 2.335) 6.890 4.594 ( 3.509 -8.397 -7.439) 11.754 4.697 ( -0.452 -1.309 -4.147) 4.372 5.046 ( -0.131 -2.427 7.215) 7.613 5.117 ( 2.044 5.227 -1.930) 5.935 5.237 ( 5.958 -1.441 -1.296) 6.265 5.436 ( 7.324 4.783 3.935) 9.592 5.544 ( 8.441 1.919 3.423) 9.308 5.618 ( 11.070 8.419 -5.440) 14.934 5.679 ( 0.054 6.067 -2.553) 6.582 5.902 ( -1.354 -2.628 4.009) 4.981 6.103 ( 0.399 9.528 -0.978) 9.586 6.105 ( -5.118 0.196 -0.018) 5.121 6.223 ( 1.455 3.661 4.936) 6.315 6.315 ( -0.227 -7.617 -9.608) 12.263 6.663 ( 4.394 1.636 1.051) 4.805 6.805 ( 0.159 4.619 3.245) 5.647 6.858 ( 4.214 0.912 6.656) 7.930 7.034 ( 1.711 2.230 -8.693) 9.136 7.143 ( -8.674 -4.472 -0.508) 9.772 7.391 ( -8.181 -6.897 3.780) 11.349 7.759 ( -2.509 -0.244 -4.719) 5.350 7.791 ( -1.411 2.495 0.226) 2.875 7.974 ( 1.162 0.726 -0.392) 1.425 8.132 ( -8.330 -4.594 1.359) 9.610 8.277 ( 4.958 2.902 -2.082) 6.111 8.404 ( 1.695 -0.136 6.585) 6.801 8.544 ( -1.117 -1.781 -4.384) 4.862 8.571 ( 1.366 -3.435 3.459) 5.062 8.921 ( -5.444 7.293 3.668) 9.812 9.109 ( -9.639 -1.384 -7.454) 12.263 9.787 ( 3.867 -4.192 -0.252) 5.709 9.955 ( 2.079 -1.754 -1.942) 3.342 10.022 ( -0.810 2.890 0.394) 3.028 10.137 ( -0.277 6.527 4.147) 7.738 10.197 ( -3.994 -2.921 0.798) 5.012 10.471 ( -5.692 2.460 -2.121) 6.554 11.012 ( 2.941 0.009 -3.910) 4.892 11.065 ( -1.584 2.884 5.535) 6.439 11.103 ( 0.478 -1.909 -2.465) 3.154 11.139 ( -2.832 -1.772 2.884) 4.413 11.594 ( -1.834 3.441 -2.749) 4.771 11.612 ( -2.293 4.737 0.676) 5.306 11.686 ( -1.443 -6.967 -1.854) 7.353 11.770 ( 2.372 -3.972 2.693) 5.353 12.565 ( 3.570 -1.086 -3.466) 5.093 12.634 ( 1.685 -1.270 3.230) 3.858 13.208 ( 2.969 4.511 0.869) 5.470 13.251 ( 1.303 4.936 -1.063) 5.215 14.440 ( -0.958 -6.417 3.215) 7.241 14.533 ( -7.188 -5.712 -3.364) 9.778 14.873 ( 4.548 -10.853 -1.928) 11.925 14.973 ( -1.222 -12.014 2.427) 12.317 16.324 ( 6.754 6.817 2.642) 9.954 16.434 ( 6.124 9.783 -2.561) 11.822 16.842 ( -9.791 -1.449 0.737) 9.925 17.034 ( -13.276 -0.813 -2.122) 13.469 17.372 ( 1.640 -4.768 -0.368) 5.056 17.439 ( -0.668 -6.175 1.036) 6.297 18.429 ( 17.478 -0.364 4.606) 18.078 18.471 ( 16.895 -0.170 -3.840) 17.327 19.113 ( -2.241 -5.705 -3.403) 7.011 19.177 ( -2.834 -7.271 3.293) 8.471 20.009 ( -9.260 26.970 -2.634) 28.636 20.039 ( -9.641 25.272 2.485) 27.162 21.699 ( 11.654 2.716 2.853) 12.302 21.720 ( 10.786 2.555 -3.269) 11.556 22.338 ( -0.393 -5.006 -0.119) 5.023 22.359 ( -0.337 -5.282 1.090) 5.404 22.699 ( -6.343 -5.488 -2.435) 8.734 22.712 ( -6.195 -5.607 1.820) 8.551 ======================= Grid point 298 (53/58) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -1.964 3.091 -5.457) 6.572 1.897 ( -1.695 3.246 5.457) 6.572 2.101 ( 1.005 1.353 -4.974) 5.252 2.101 ( -1.675 -0.194 4.974) 5.252 2.306 ( 4.894 5.719 -11.421) 13.678 2.306 ( -7.400 -1.379 11.421) 13.678 2.731 ( -1.783 -3.411 -3.123) 4.957 2.731 ( 3.845 -0.161 3.123) 4.957 3.175 ( -8.186 -0.652 3.090) 8.774 3.175 ( 4.658 6.764 -3.090) 8.774 3.247 ( 0.900 -7.264 -6.001) 9.465 3.247 ( 5.841 -4.412 6.001) 9.465 3.580 ( -3.065 -5.298 -3.879) 7.246 3.580 ( 6.120 0.005 3.879) 7.246 3.836 ( -2.130 -0.307 -1.271) 2.500 3.836 ( 1.331 1.691 1.271) 2.500 3.918 ( 0.405 -0.358 -6.498) 6.520 3.918 ( 0.108 -0.530 6.498) 6.520 4.387 ( -0.575 -6.338 -3.742) 7.382 4.387 ( 5.776 -2.670 3.742) 7.382 4.639 ( 1.061 -3.224 0.255) 3.404 4.639 ( 2.262 -2.531 -0.255) 3.404 5.079 ( -3.250 -2.375 -4.568) 6.088 5.079 ( 3.681 1.627 4.568) 6.088 5.347 ( 5.315 -1.077 -7.412) 9.184 5.347 ( -1.724 -5.142 7.412) 9.184 5.698 ( -3.809 -1.127 -2.008) 4.451 5.698 ( 2.881 2.735 2.008) 4.451 5.949 ( -7.841 -2.229 -8.805) 11.999 5.949 ( 5.851 5.676 8.805) 11.999 6.036 ( -12.844 -2.613 2.432) 13.331 6.036 ( 8.685 9.816 -2.432) 13.331 6.265 ( -0.371 -1.818 -3.300) 3.786 6.265 ( 1.760 -0.588 3.300) 3.786 6.765 ( -3.580 -2.305 -5.461) 6.925 6.765 ( 3.786 1.948 5.461) 6.925 6.973 ( -5.757 -4.047 -1.924) 7.295 6.973 ( 6.383 2.962 1.924) 7.295 7.174 ( -2.925 -0.084 -4.554) 5.413 7.174 ( 1.536 2.491 4.554) 5.413 7.740 ( -0.111 0.270 -2.027) 2.048 7.740 ( -0.178 0.231 2.027) 2.048 8.020 ( -2.598 3.355 -11.320) 12.089 8.020 ( -1.606 3.927 11.320) 12.089 8.384 ( -3.777 -1.238 -0.554) 4.013 8.384 ( 2.960 2.652 0.554) 4.013 8.547 ( 0.637 -3.465 -3.576) 5.020 8.547 ( 2.682 -2.285 3.576) 5.020 8.962 ( -7.066 2.267 -7.859) 10.809 8.962 ( 1.569 7.253 7.859) 10.809 9.874 ( -4.103 -6.538 3.633) 8.531 9.874 ( 7.713 0.284 -3.633) 8.531 10.053 ( -3.596 1.611 -1.875) 4.363 10.053 ( 0.403 3.919 1.875) 4.363 10.342 ( -9.102 -1.252 -2.620) 9.554 10.342 ( 5.635 7.257 2.620) 9.554 11.046 ( 1.253 1.033 -7.498) 7.672 11.046 ( -1.521 -0.569 7.498) 7.672 11.111 ( -0.724 0.853 -2.276) 2.536 11.111 ( -0.377 1.053 2.276) 2.536 11.561 ( 0.359 -0.358 -5.603) 5.626 11.561 ( 0.130 -0.490 5.603) 5.626 11.749 ( 0.173 -0.337 -5.158) 5.172 11.749 ( 0.205 -0.318 5.159) 5.172 12.615 ( 2.391 -1.923 -6.208) 6.924 12.615 ( 0.470 -3.032 6.208) 6.924 13.278 ( -2.788 2.876 -2.136) 4.540 13.278 ( -1.097 3.853 2.136) 4.540 14.412 ( 0.903 -5.417 -4.699) 7.227 14.412 ( 4.239 -3.490 4.699) 7.227 14.871 ( 7.880 -9.089 -2.311) 12.249 14.871 ( 3.931 -11.369 2.311) 12.249 16.550 ( -9.080 -1.907 -3.287) 9.844 16.550 ( 6.192 6.910 3.287) 9.844 16.762 ( -13.309 0.677 -2.214) 13.509 16.762 ( 6.068 11.865 2.214) 13.509 17.387 ( 1.068 -5.200 -0.746) 5.361 17.387 ( 3.970 -3.525 0.746) 5.361 18.630 ( 4.299 -10.213 -6.582) 12.888 18.630 ( 6.695 -8.830 6.582) 12.888 19.062 ( 2.012 -2.182 -8.730) 9.221 19.062 ( 0.883 -2.833 8.731) 9.221 20.073 ( -13.488 24.951 -2.786) 28.499 20.073 ( -14.864 24.156 2.786) 28.499 21.841 ( 1.101 -1.464 -4.511) 4.868 21.841 ( 0.717 -1.685 4.511) 4.868 22.305 ( 3.517 -7.664 -9.752) 12.893 22.305 ( 4.879 -6.878 9.752) 12.893 22.616 ( -0.488 0.111 -4.241) 4.270 22.616 ( 0.148 0.478 4.241) 4.270 ======================= Grid point 316 (54/58) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 2.676 0.694 -8.769) 9.194 1.778 ( -0.737 2.664 8.769) 9.194 2.014 ( 1.742 6.020 -12.542) 14.021 2.014 ( 4.342 4.519 12.542) 14.021 2.273 ( 1.038 7.218 -5.281) 9.004 2.273 ( 5.731 4.508 5.281) 9.004 2.762 ( 9.056 -4.076 -6.425) 11.828 2.762 ( -8.058 5.805 6.425) 11.828 2.967 ( 6.157 -1.257 -14.202) 15.531 2.967 ( -4.167 4.704 14.202) 15.531 3.385 ( -4.380 -7.915 -1.225) 9.129 3.385 ( -4.664 -7.751 1.225) 9.129 3.672 ( 0.396 6.876 -6.957) 9.790 3.672 ( 5.757 3.781 6.957) 9.790 3.957 ( -1.718 -10.773 -7.393) 13.178 3.957 ( -8.471 -6.874 7.393) 13.178 4.144 ( -7.068 1.018 -5.866) 9.241 4.144 ( 4.415 -5.612 5.866) 9.241 4.368 ( 4.929 18.229 -8.466) 20.695 4.368 ( 13.322 13.384 8.466) 20.695 4.526 ( 3.770 -7.920 -6.415) 10.867 4.526 ( -8.744 -0.695 6.415) 10.867 4.884 ( 6.433 6.994 -2.323) 9.782 4.884 ( 2.840 9.068 2.323) 9.782 5.161 ( -3.390 -4.411 -3.117) 6.377 5.161 ( -2.125 -5.142 3.117) 6.377 5.482 ( 1.933 0.938 -1.493) 2.616 5.482 ( -0.154 2.143 1.493) 2.616 5.881 ( -6.192 -0.338 -6.649) 9.092 5.881 ( 2.803 -5.531 6.649) 9.092 6.051 ( 4.263 6.846 -2.449) 8.429 6.051 ( 3.798 7.115 2.449) 8.429 6.298 ( 1.416 -5.473 -11.251) 12.591 6.298 ( -5.448 -1.510 11.251) 12.591 6.666 ( -2.984 2.917 -9.132) 10.041 6.666 ( 4.019 -1.126 9.132) 10.041 6.889 ( 7.873 0.307 -10.231) 12.913 6.889 ( -3.670 6.971 10.231) 12.913 7.498 ( -2.014 -9.458 -5.114) 10.939 7.498 ( -7.184 -6.473 5.114) 10.939 7.792 ( 4.477 4.949 -11.601) 13.384 7.792 ( 2.047 6.352 11.601) 13.384 7.933 ( -2.312 7.228 -11.364) 13.665 7.933 ( 7.415 1.611 11.364) 13.665 8.433 ( -1.530 -5.613 -3.725) 6.908 8.433 ( -4.096 -4.131 3.725) 6.908 8.623 ( -4.422 -10.415 -8.260) 14.009 8.623 ( -6.808 -9.037 8.260) 14.009 9.261 ( -9.160 1.460 -8.209) 12.386 9.261 ( 5.845 -7.202 8.209) 12.386 9.739 ( 5.956 -0.434 -4.737) 7.622 9.739 ( -3.353 4.941 4.737) 7.622 10.104 ( -2.088 -1.415 -7.035) 7.474 10.104 ( -0.181 -2.516 7.035) 7.474 10.490 ( 4.565 -4.008 -4.018) 7.283 10.490 ( -5.754 1.949 4.018) 7.283 10.957 ( 0.967 2.923 -2.565) 4.008 10.957 ( 2.049 2.299 2.565) 4.008 11.221 ( -3.146 -3.554 -4.949) 6.857 11.221 ( -1.505 -4.501 4.949) 6.857 11.550 ( 5.940 0.819 -6.041) 8.511 11.550 ( -2.261 5.553 6.041) 8.511 11.897 ( -7.638 -9.405 -2.485) 12.368 11.897 ( -4.326 -11.317 2.485) 12.368 12.494 ( 2.885 3.421 -5.875) 7.385 12.494 ( 1.520 4.209 5.875) 7.385 13.125 ( 1.938 5.496 -1.870) 6.120 13.125 ( 3.790 4.427 1.870) 6.120 14.526 ( -1.467 7.358 -3.824) 8.421 14.526 ( 7.106 2.408 3.824) 8.421 15.085 ( -13.848 -14.310 -8.479) 21.644 15.085 ( -5.469 -19.148 8.479) 21.644 16.307 ( 0.727 -3.755 -3.516) 5.195 16.307 ( -3.615 -1.248 3.516) 5.195 17.109 ( 4.518 -2.211 -1.540) 5.260 17.109 ( -4.174 2.807 1.540) 5.260 17.514 ( -6.012 -6.954 -4.835) 10.387 17.514 ( -3.016 -8.684 4.835) 10.387 17.957 ( 7.931 9.857 -3.522) 13.133 17.957 ( 4.571 11.797 3.522) 13.133 19.187 ( -1.650 -1.224 -7.096) 7.387 19.187 ( -0.235 -2.041 7.096) 7.387 20.078 ( 10.627 20.667 -2.170) 23.340 20.078 ( 12.584 19.537 2.170) 23.340 21.323 ( 6.326 9.460 -15.526) 19.250 21.323 ( 5.030 10.208 15.526) 19.250 22.409 ( -2.619 -3.722 -9.789) 10.796 22.409 ( -1.914 -4.129 9.789) 10.796 22.929 ( -5.567 -9.314 -4.961) 11.931 22.929 ( -5.283 -9.478 4.961) 11.931 ======================= Grid point 318 (55/58) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 0.862 5.243 -0.851) 5.381 1.814 ( 1.495 4.401 1.802) 4.985 2.053 ( 1.993 2.641 0.922) 3.435 2.098 ( 2.460 -1.866 -0.613) 3.148 2.376 ( -0.598 7.640 -7.333) 10.607 2.494 ( 10.047 1.503 3.112) 10.625 2.676 ( -8.302 5.152 3.368) 10.335 2.825 ( -1.131 -0.651 9.307) 9.398 2.939 ( -1.953 0.641 5.516) 5.886 3.119 ( 11.104 0.472 -12.735) 16.902 3.227 ( -2.670 0.096 -7.547) 8.006 3.312 ( 1.108 -6.843 1.056) 7.012 3.610 ( -8.463 -10.946 7.294) 15.641 3.659 ( -4.157 -13.270 -1.781) 14.019 3.769 ( -2.364 4.120 -1.324) 4.931 3.867 ( 2.837 -2.042 -1.120) 3.671 4.008 ( -8.797 1.190 -1.475) 8.999 4.148 ( -2.320 -8.337 3.648) 9.391 4.251 ( -4.552 -5.323 0.406) 7.015 4.391 ( 1.732 -14.897 -1.159) 15.042 4.527 ( -0.683 4.934 -0.456) 5.002 4.638 ( 6.528 -0.581 -1.959) 6.840 5.044 ( -2.841 -2.366 5.146) 6.336 5.090 ( 0.766 -4.573 -3.838) 6.019 5.226 ( 5.979 19.771 3.641) 20.974 5.345 ( 18.558 19.753 -1.241) 27.132 5.475 ( -1.277 0.579 0.576) 1.516 5.536 ( 4.747 0.751 -0.043) 4.807 5.736 ( -4.533 -1.538 -5.598) 7.365 5.830 ( 1.482 -8.560 5.280) 10.166 6.171 ( -2.022 1.255 3.667) 4.371 6.208 ( 0.328 2.292 -5.159) 5.655 6.220 ( 1.094 7.014 3.462) 7.898 6.279 ( 1.051 -0.258 -5.139) 5.252 6.657 ( -0.791 4.262 -5.538) 7.032 6.752 ( 6.108 -0.248 7.697) 9.829 6.902 ( -2.633 5.232 6.185) 8.518 6.991 ( 3.887 -0.201 -5.967) 7.124 7.268 ( -9.879 -4.739 -3.240) 11.426 7.378 ( -1.600 -10.854 3.658) 11.565 7.837 ( -3.568 3.042 -2.583) 5.353 7.905 ( -6.346 4.871 -3.110) 8.583 7.928 ( 5.093 3.185 2.292) 6.429 8.105 ( 9.342 -1.869 2.407) 9.826 8.260 ( -5.331 -1.183 -3.471) 6.471 8.350 ( 1.969 -4.377 4.507) 6.584 8.548 ( -0.949 -0.814 9.284) 9.368 8.555 ( -0.794 -1.138 -9.385) 9.487 9.114 ( -8.752 2.905 -0.985) 9.274 9.216 ( -3.683 -5.231 -0.368) 6.408 9.733 ( -0.707 2.324 -1.855) 3.057 9.845 ( 7.424 -1.601 1.254) 7.697 10.088 ( -1.846 3.703 0.004) 4.137 10.136 ( 2.983 2.789 0.467) 4.110 10.360 ( -10.974 0.987 2.536) 11.306 10.513 ( 1.785 -3.504 -2.591) 4.709 10.978 ( 1.084 2.274 -0.391) 2.549 11.032 ( 4.090 -1.587 -1.613) 4.674 11.136 ( -2.834 1.103 0.158) 3.045 11.162 ( -2.169 -2.939 2.990) 4.720 11.588 ( -0.798 -1.271 1.560) 2.165 11.647 ( 0.049 -9.228 -1.000) 9.282 11.727 ( -3.416 2.999 -0.302) 4.556 11.752 ( 0.086 5.653 -1.154) 5.770 12.511 ( 0.065 -0.497 -0.603) 0.784 12.565 ( 3.344 -2.805 0.827) 4.442 13.223 ( 2.309 7.577 -0.019) 7.921 13.260 ( 4.628 6.003 -0.050) 7.580 14.434 ( -6.912 -5.891 0.641) 9.105 14.553 ( -0.510 -11.711 1.851) 11.867 14.729 ( -7.995 -11.093 -6.687) 15.221 14.850 ( -1.764 -17.347 4.251) 17.947 16.335 ( 2.209 9.344 4.574) 10.635 16.402 ( 7.439 6.978 -4.718) 11.238 17.016 ( -8.743 2.279 0.349) 9.042 17.153 ( 1.296 -2.415 0.627) 2.812 17.322 ( -6.158 -7.912 -4.493) 10.986 17.378 ( -1.656 -8.914 3.236) 9.627 18.206 ( 10.928 8.743 5.339) 14.979 18.236 ( 12.589 7.145 -4.778) 15.243 19.108 ( -3.326 -4.755 -4.137) 7.127 19.135 ( -1.446 -6.730 4.045) 7.984 20.417 ( -0.787 27.893 -3.000) 28.065 20.435 ( 0.196 27.214 2.969) 27.376 21.509 ( 9.970 2.666 4.794) 11.380 21.529 ( 11.039 1.954 -4.929) 12.247 22.309 ( -3.410 -6.968 -4.930) 9.192 22.318 ( -2.710 -7.497 5.265) 9.553 22.740 ( -5.443 -7.018 -1.853) 9.073 22.745 ( -4.984 -7.263 1.626) 8.957 ======================= Grid point 320 (56/58) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 3.306 7.949 -5.451) 10.189 1.965 ( 4.197 7.894 5.221) 10.353 2.075 ( -1.358 0.319 -2.204) 2.608 2.124 ( 2.145 -0.674 5.870) 6.286 2.375 ( -5.001 4.883 -10.393) 12.524 2.473 ( -10.580 -1.665 7.277) 12.949 2.655 ( 3.286 2.689 0.820) 4.324 2.765 ( -5.588 -0.975 4.141) 7.024 2.969 ( 10.694 -3.473 -2.055) 11.430 3.183 ( -3.568 -11.467 -0.127) 12.010 3.246 ( 0.073 3.899 -5.114) 6.431 3.337 ( -4.980 4.806 0.462) 6.936 3.405 ( 8.629 -6.761 -1.980) 11.140 3.516 ( 3.395 -10.517 3.271) 11.525 3.767 ( 1.183 -3.354 1.388) 3.817 3.855 ( -6.140 -5.091 -3.311) 8.636 3.930 ( 0.615 3.718 0.215) 3.775 3.987 ( -3.144 -2.229 3.271) 5.055 4.233 ( 4.253 -4.155 0.277) 5.952 4.292 ( 1.075 -9.004 -1.380) 9.173 4.564 ( 2.151 0.963 -0.717) 2.464 4.644 ( -1.983 -4.753 -1.196) 5.287 5.039 ( 2.834 3.571 5.361) 7.038 5.171 ( 7.176 3.166 -5.609) 9.643 5.200 ( -7.984 -1.399 -1.850) 8.314 5.392 ( -7.717 -5.811 4.185) 10.528 5.628 ( 7.388 0.279 -3.116) 8.023 5.731 ( 0.483 -6.499 4.532) 7.938 5.822 ( 12.689 8.550 13.236) 20.231 5.933 ( 10.238 10.259 -10.266) 17.761 6.070 ( -6.143 -1.223 -9.524) 11.399 6.170 ( -4.157 -3.314 2.927) 6.069 6.276 ( -1.323 3.957 -1.894) 4.582 6.301 ( -2.607 3.188 3.215) 5.225 6.738 ( 3.253 5.624 -2.582) 6.991 6.834 ( -0.983 -1.031 1.527) 2.088 6.897 ( 2.091 3.416 4.812) 6.261 7.019 ( -2.621 -4.689 -1.467) 5.568 7.121 ( 0.480 1.336 -6.213) 6.373 7.229 ( -3.704 -8.019 5.518) 10.415 7.782 ( -3.200 3.368 2.732) 5.389 7.822 ( -5.454 1.189 -3.909) 6.815 8.054 ( 2.499 5.910 3.127) 7.138 8.121 ( -3.574 2.395 -5.427) 6.926 8.323 ( 6.112 0.303 -2.082) 6.464 8.372 ( 2.308 -2.868 5.964) 7.009 8.521 ( -1.122 -0.377 5.055) 5.192 8.526 ( -1.067 -0.846 -5.429) 5.597 9.040 ( -3.005 3.746 3.328) 5.843 9.090 ( -5.534 -0.941 -4.537) 7.218 9.793 ( 3.353 5.462 -3.567) 7.335 9.902 ( -1.987 -0.706 4.456) 4.930 10.092 ( -0.961 3.782 2.441) 4.603 10.169 ( -7.905 0.382 -2.316) 8.246 10.280 ( 7.357 4.321 -1.048) 8.596 10.449 ( -4.371 -5.433 0.080) 6.973 11.026 ( 1.851 1.654 -7.424) 7.828 11.070 ( -0.532 -1.003 3.806) 3.972 11.111 ( 0.723 1.144 8.065) 8.178 11.139 ( -0.783 1.527 -2.835) 3.314 11.483 ( 0.592 -8.832 -9.268) 12.816 11.505 ( -0.848 -9.825 8.339) 12.914 11.815 ( -0.952 12.685 1.460) 12.805 11.857 ( -3.121 10.008 -1.808) 10.638 12.514 ( 3.865 -4.309 -2.584) 6.339 12.556 ( 1.422 -6.520 2.556) 7.146 13.347 ( 0.783 9.389 0.409) 9.430 13.377 ( -0.941 7.905 -0.469) 7.975 14.274 ( 1.286 -10.864 1.225) 11.009 14.332 ( -2.861 -14.516 -0.876) 14.822 14.623 ( 5.515 -11.096 -2.609) 12.662 14.677 ( 1.588 -14.915 2.301) 15.174 16.536 ( 6.084 12.947 4.070) 14.873 16.638 ( 5.665 9.152 -4.785) 11.779 16.858 ( -8.994 2.981 1.197) 9.551 17.002 ( -13.199 -2.626 -1.110) 13.504 17.253 ( 5.082 -6.768 -0.094) 8.464 17.291 ( 1.541 -8.245 0.552) 8.406 18.462 ( 8.318 4.498 6.213) 11.314 18.484 ( 7.372 3.025 -5.841) 9.880 18.995 ( -0.976 -6.804 -5.267) 8.659 19.017 ( -1.695 -8.540 5.103) 10.092 20.602 ( -11.811 30.283 -3.503) 32.693 20.614 ( -12.700 29.735 3.515) 32.524 21.730 ( 11.539 0.706 -0.470) 11.571 21.745 ( 10.515 0.293 0.343) 10.525 22.143 ( -1.231 -14.640 5.244) 15.599 22.149 ( -1.444 -15.467 -5.157) 16.368 22.632 ( -1.928 -1.219 3.371) 4.070 22.637 ( -2.105 -1.678 -3.367) 4.311 ======================= Grid point 340 (57/58) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 3.277 8.612 -6.744) 11.419 1.945 ( 5.820 7.144 6.744) 11.419 2.094 ( 0.388 1.080 -1.859) 2.185 2.094 ( 0.741 0.876 1.859) 2.185 2.486 ( -2.321 2.442 -5.962) 6.848 2.486 ( 3.275 -0.789 5.962) 6.848 2.762 ( -2.841 2.334 -6.156) 7.170 2.762 ( 3.441 -1.293 6.156) 7.170 3.001 ( 9.953 -10.491 -10.313) 17.761 3.001 ( -14.062 3.374 10.313) 17.761 3.267 ( -2.595 -7.207 -6.073) 9.776 3.267 ( -4.944 -5.851 6.073) 9.776 3.410 ( 0.422 0.223 -0.978) 1.088 3.410 ( -0.018 0.477 0.978) 1.088 3.805 ( -5.932 -0.995 -1.485) 6.195 3.805 ( 2.105 -5.634 1.485) 6.195 3.980 ( -7.435 -6.360 -4.318) 10.694 3.980 ( -1.791 -9.619 4.318) 10.694 4.207 ( 3.415 1.804 -3.020) 4.903 4.207 ( -0.145 3.860 3.020) 4.903 4.592 ( 0.528 -4.652 -2.636) 5.373 4.592 ( -4.293 -1.868 2.636) 5.373 5.062 ( 4.757 3.601 -8.947) 10.754 5.062 ( 0.740 5.920 8.947) 10.754 5.434 ( 2.652 -4.748 -3.704) 6.580 5.434 ( -5.438 -0.077 3.704) 6.580 5.523 ( -5.898 -2.941 -8.334) 10.625 5.523 ( 0.402 -6.579 8.334) 10.625 5.848 ( 11.115 10.889 -9.983) 18.487 5.848 ( 3.872 15.070 9.983) 18.487 6.151 ( -2.375 -0.195 -7.805) 8.160 6.151 ( 1.019 -2.154 7.805) 8.160 6.340 ( 0.060 1.781 -4.559) 4.895 6.340 ( 1.512 0.942 4.559) 4.895 6.765 ( 0.495 3.841 -6.203) 7.313 6.765 ( 3.079 2.349 6.203) 7.313 6.971 ( 3.293 -1.283 -4.238) 5.518 6.971 ( -2.757 2.210 4.238) 5.518 7.176 ( -6.386 -4.490 -5.854) 9.758 7.176 ( -0.695 -7.775 5.854) 9.758 7.865 ( 1.437 -1.977 -8.591) 8.932 7.865 ( -2.431 0.256 8.591) 8.932 8.111 ( 7.566 2.788 -2.809) 8.539 8.111 ( -1.369 7.947 2.809) 8.539 8.292 ( -2.903 1.620 -3.748) 5.010 8.292 ( 2.854 -1.704 3.748) 5.010 8.535 ( -0.210 -0.843 -11.078) 11.112 8.535 ( -0.625 -0.603 11.078) 11.112 9.111 ( -0.705 -3.898 -2.397) 4.631 9.111 ( -3.024 -2.560 2.397) 4.631 9.862 ( -0.440 9.124 -3.453) 9.765 9.862 ( 8.122 4.181 3.453) 9.765 10.169 ( 4.389 0.235 -7.159) 8.401 10.169 ( -1.991 3.918 7.159) 8.401 10.358 ( -2.473 -7.342 -2.727) 8.213 10.358 ( -5.121 -5.813 2.727) 8.213 11.034 ( -0.100 3.012 -3.043) 4.283 11.034 ( 2.659 1.420 3.043) 4.283 11.142 ( 1.181 0.120 -11.143) 11.206 11.142 ( -0.487 1.083 11.143) 11.206 11.440 ( -5.327 -8.729 -15.272) 18.379 11.440 ( -4.896 -8.978 15.272) 18.379 11.938 ( 7.639 10.646 -4.124) 13.737 11.938 ( 5.400 11.938 4.124) 13.737 12.466 ( -3.672 -4.854 -6.244) 8.719 12.466 ( -2.367 -5.607 6.244) 8.719 13.417 ( 6.017 10.447 -0.995) 12.097 13.417 ( 6.039 10.435 0.995) 12.097 14.228 ( -9.822 -16.024 -0.728) 18.809 14.228 ( -8.966 -16.518 0.728) 18.809 14.550 ( -5.034 -7.773 -11.942) 15.112 14.550 ( -4.214 -8.246 11.942) 15.112 16.587 ( 9.496 10.999 -5.813) 15.650 16.587 ( 4.777 13.723 5.813) 15.650 17.062 ( -6.385 0.395 -0.405) 6.410 17.062 ( 3.534 -5.332 0.405) 6.410 17.176 ( -7.578 -6.606 -2.713) 10.413 17.176 ( -1.932 -9.866 2.713) 10.413 18.427 ( 7.396 11.084 -6.897) 15.004 18.427 ( 5.901 11.947 6.897) 15.004 18.975 ( -5.402 -8.345 -9.070) 13.457 18.975 ( -4.526 -8.851 9.070) 13.457 20.943 ( 12.077 22.109 -4.612) 25.611 20.943 ( 13.109 21.513 4.612) 25.611 21.568 ( 2.453 3.674 -11.013) 11.866 21.568 ( 1.955 3.962 11.013) 11.866 22.084 ( -8.660 -15.185 -5.753) 18.403 22.084 ( -8.820 -15.092 5.753) 18.403 22.646 ( -1.349 -2.486 -7.063) 7.608 22.646 ( -1.478 -2.411 7.063) 7.608 ======================= Grid point 342 (58/58) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -0.367 4.195 -8.588) 9.564 2.054 ( -3.449 2.416 8.588) 9.565 2.101 ( 0.103 -0.475 -8.995) 9.008 2.101 ( 0.360 -0.327 8.995) 9.008 2.486 ( -0.292 3.931 -11.248) 11.919 2.486 ( -3.259 2.218 11.248) 11.919 2.781 ( -2.894 8.660 -5.047) 10.433 2.781 ( -6.053 6.836 5.047) 10.433 2.943 ( -6.348 -8.712 -1.992) 10.962 2.943 ( 10.719 1.141 1.992) 10.962 3.122 ( 7.435 -15.703 -1.948) 17.483 3.122 ( 9.882 -14.291 1.948) 17.483 3.526 ( -6.398 7.268 -1.417) 9.786 3.526 ( -3.095 9.175 1.417) 9.786 3.725 ( -2.140 -5.951 -1.839) 6.586 3.725 ( 6.224 -1.122 1.839) 6.586 3.872 ( 5.153 -5.654 -3.981) 8.624 3.872 ( 2.320 -7.290 3.981) 8.624 4.297 ( -5.268 6.242 -2.033) 8.417 4.297 ( -2.772 7.683 2.033) 8.417 4.509 ( 2.426 -7.434 -0.054) 7.820 4.509 ( 5.225 -5.818 0.054) 7.820 5.203 ( -7.899 3.313 -7.607) 11.456 5.203 ( 1.080 8.497 7.607) 11.456 5.288 ( -9.191 -1.403 0.169) 9.299 5.288 ( 5.810 7.258 -0.169) 9.299 5.496 ( 7.519 -11.613 -7.286) 15.636 5.496 ( 6.298 -12.318 7.286) 15.636 5.992 ( -2.554 0.540 -11.216) 11.515 5.992 ( 0.810 2.481 11.216) 11.515 6.185 ( -2.632 6.737 -8.847) 11.428 6.185 ( -4.518 5.648 8.847) 11.428 6.316 ( 1.273 -0.603 -5.989) 6.152 6.316 ( -0.114 -1.404 5.989) 6.152 6.790 ( 1.300 -1.729 -5.396) 5.813 6.790 ( 0.847 -1.990 5.396) 5.813 6.990 ( -3.192 3.453 -7.827) 9.131 6.990 ( -1.394 4.491 7.827) 9.131 7.103 ( 2.791 -3.263 -8.510) 9.532 7.103 ( 1.431 -4.049 8.510) 9.532 7.856 ( -1.738 1.777 -10.374) 10.668 7.856 ( -0.670 2.394 10.374) 10.668 8.177 ( -3.127 3.902 -10.770) 11.874 8.177 ( -1.816 4.659 10.770) 11.874 8.288 ( 2.274 -4.002 -7.852) 9.102 8.288 ( 2.329 -3.970 7.852) 9.102 8.527 ( -0.327 0.414 -12.108) 12.120 8.527 ( -0.195 0.490 12.108) 12.120 9.072 ( -0.247 -0.389 -3.121) 3.155 9.072 ( 0.461 0.020 3.121) 3.155 9.978 ( -2.769 10.245 -3.942) 11.321 9.978 ( -7.488 7.520 3.942) 11.321 10.165 ( -4.037 -1.236 -4.384) 6.086 10.165 ( 3.089 2.878 4.384) 6.086 10.268 ( 8.566 -5.283 -4.203) 10.907 10.268 ( 0.293 -10.060 4.203) 10.907 11.060 ( -0.043 0.618 -4.534) 4.576 11.060 ( -0.513 0.346 4.534) 4.576 11.172 ( -2.620 3.299 -14.264) 14.873 11.172 ( -1.547 3.919 14.264) 14.873 11.324 ( 3.932 -6.849 -18.461) 20.080 11.324 ( 3.965 -6.830 18.461) 20.080 12.090 ( -7.749 11.694 -4.640) 14.776 12.090 ( -6.253 12.558 4.640) 14.776 12.381 ( 5.690 -8.874 -5.790) 12.027 12.381 ( 4.840 -9.365 5.790) 12.027 13.583 ( -7.815 11.997 -0.043) 14.318 13.583 ( -6.482 12.766 0.043) 14.318 13.988 ( 8.247 -16.514 -0.413) 18.463 13.988 ( 10.178 -15.399 0.413) 18.463 14.472 ( 2.430 -4.263 -12.217) 13.166 14.472 ( 2.477 -4.236 12.217) 13.166 16.781 ( -6.183 5.170 -5.758) 9.905 16.781 ( -1.385 7.940 5.758) 9.905 16.957 ( -6.706 0.890 -0.609) 6.792 16.957 ( 2.582 6.253 0.609) 6.792 17.107 ( 3.436 -9.488 -1.422) 10.191 17.107 ( 6.499 -7.720 1.422) 10.191 18.598 ( -4.665 7.172 -7.838) 11.603 18.598 ( -3.879 7.626 7.838) 11.603 18.837 ( 5.046 -8.049 -8.871) 12.998 18.837 ( 4.447 -8.394 8.871) 12.998 21.191 ( -14.854 26.227 -6.054) 30.743 21.191 ( -15.287 25.977 6.054) 30.743 21.736 ( 1.606 -3.325 -9.106) 9.826 21.736 ( 2.076 -3.053 9.106) 9.826 21.771 ( 10.623 -17.682 -7.138) 21.828 21.771 ( 10.002 -18.041 7.138) 21.828 22.625 ( -0.016 -0.018 -8.581) 8.581 22.625 ( 0.023 0.005 8.581) 8.581 =================== 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 3/43560 10.0 496.449 496.449 541.727 -0.000 0.000 0.000 3/43560 20.0 99.747 99.747 110.930 -0.000 0.000 0.000 3/43560 30.0 38.184 38.184 41.508 -0.000 0.000 0.000 3/43560 40.0 21.113 21.113 23.000 -0.000 -0.000 0.000 3/43560 50.0 14.017 14.017 15.346 -0.000 -0.000 0.000 3/43560 60.0 10.320 10.320 11.360 -0.000 -0.000 0.000 3/43560 70.0 8.110 8.110 8.976 -0.000 -0.000 0.000 3/43560 80.0 6.662 6.662 7.412 -0.000 -0.000 0.000 3/43560 90.0 5.649 5.649 6.315 -0.000 -0.000 0.000 3/43560 100.0 4.905 4.905 5.506 -0.000 -0.000 0.000 3/43560 110.0 4.338 4.338 4.885 -0.000 -0.000 0.000 3/43560 120.0 3.892 3.892 4.394 -0.000 -0.000 0.000 3/43560 130.0 3.534 3.534 3.995 -0.000 -0.000 0.000 3/43560 140.0 3.239 3.239 3.664 -0.000 -0.000 0.000 3/43560 150.0 2.993 2.993 3.386 -0.000 -0.000 0.000 3/43560 160.0 2.784 2.784 3.148 -0.000 -0.000 0.000 3/43560 170.0 2.605 2.605 2.942 -0.000 -0.000 0.000 3/43560 180.0 2.449 2.449 2.763 -0.000 -0.000 0.000 3/43560 190.0 2.312 2.312 2.605 -0.000 -0.000 0.000 3/43560 200.0 2.191 2.191 2.464 -0.000 -0.000 0.000 3/43560 210.0 2.084 2.084 2.338 -0.000 -0.000 0.000 3/43560 220.0 1.987 1.987 2.225 -0.000 -0.000 0.000 3/43560 230.0 1.899 1.899 2.123 -0.000 -0.000 0.000 3/43560 240.0 1.820 1.820 2.030 -0.000 -0.000 0.000 3/43560 250.0 1.747 1.747 1.945 -0.000 -0.000 0.000 3/43560 260.0 1.680 1.680 1.867 -0.000 -0.000 0.000 3/43560 270.0 1.619 1.619 1.795 -0.000 -0.000 0.000 3/43560 280.0 1.562 1.562 1.729 -0.000 -0.000 0.000 3/43560 290.0 1.509 1.509 1.667 -0.000 -0.000 0.000 3/43560 300.0 1.460 1.460 1.610 -0.000 -0.000 0.000 3/43560 310.0 1.414 1.414 1.557 -0.000 -0.000 0.000 3/43560 320.0 1.371 1.371 1.507 -0.000 -0.000 0.000 3/43560 330.0 1.330 1.330 1.460 -0.000 -0.000 0.000 3/43560 340.0 1.292 1.292 1.417 -0.000 -0.000 0.000 3/43560 350.0 1.257 1.257 1.375 -0.000 -0.000 0.000 3/43560 360.0 1.223 1.223 1.337 -0.000 -0.000 0.000 3/43560 370.0 1.191 1.191 1.300 -0.000 -0.000 0.000 3/43560 380.0 1.161 1.161 1.265 -0.000 -0.000 0.000 3/43560 390.0 1.132 1.132 1.232 -0.000 -0.000 0.000 3/43560 400.0 1.104 1.104 1.201 -0.000 -0.000 0.000 3/43560 410.0 1.078 1.078 1.172 -0.000 -0.000 0.000 3/43560 420.0 1.053 1.053 1.144 -0.000 -0.000 0.000 3/43560 430.0 1.030 1.030 1.117 -0.000 -0.000 0.000 3/43560 440.0 1.007 1.007 1.091 -0.000 -0.000 0.000 3/43560 450.0 0.985 0.985 1.067 -0.000 -0.000 0.000 3/43560 460.0 0.965 0.965 1.043 -0.000 -0.000 0.000 3/43560 470.0 0.945 0.945 1.021 -0.000 -0.000 0.000 3/43560 480.0 0.926 0.926 1.000 -0.000 -0.000 0.000 3/43560 490.0 0.907 0.907 0.979 -0.000 -0.000 0.000 3/43560 500.0 0.890 0.890 0.959 -0.000 -0.000 0.000 3/43560 510.0 0.873 0.873 0.941 -0.000 -0.000 0.000 3/43560 520.0 0.856 0.856 0.922 -0.000 -0.000 0.000 3/43560 530.0 0.841 0.841 0.905 -0.000 -0.000 0.000 3/43560 540.0 0.825 0.825 0.888 -0.000 -0.000 0.000 3/43560 550.0 0.811 0.811 0.872 -0.000 -0.000 0.000 3/43560 560.0 0.797 0.797 0.856 -0.000 -0.000 0.000 3/43560 570.0 0.783 0.783 0.841 -0.000 -0.000 0.000 3/43560 580.0 0.770 0.770 0.827 -0.000 -0.000 0.000 3/43560 590.0 0.757 0.757 0.813 -0.000 -0.000 0.000 3/43560 600.0 0.745 0.745 0.799 -0.000 -0.000 0.000 3/43560 610.0 0.733 0.733 0.786 -0.000 -0.000 0.000 3/43560 620.0 0.721 0.721 0.773 -0.000 -0.000 0.000 3/43560 630.0 0.710 0.710 0.761 -0.000 -0.000 0.000 3/43560 640.0 0.699 0.699 0.749 -0.000 -0.000 0.000 3/43560 650.0 0.689 0.689 0.738 -0.000 -0.000 0.000 3/43560 660.0 0.679 0.679 0.726 -0.000 -0.000 0.000 3/43560 670.0 0.669 0.669 0.716 -0.000 -0.000 0.000 3/43560 680.0 0.659 0.659 0.705 -0.000 -0.000 0.000 3/43560 690.0 0.650 0.650 0.695 -0.000 -0.000 0.000 3/43560 700.0 0.641 0.641 0.685 -0.000 -0.000 0.000 3/43560 710.0 0.632 0.632 0.675 -0.000 -0.000 0.000 3/43560 720.0 0.623 0.623 0.666 -0.000 -0.000 0.000 3/43560 730.0 0.615 0.615 0.657 -0.000 -0.000 0.000 3/43560 740.0 0.607 0.607 0.648 -0.000 -0.000 0.000 3/43560 750.0 0.599 0.599 0.639 -0.000 -0.000 0.000 3/43560 760.0 0.591 0.591 0.631 -0.000 -0.000 0.000 3/43560 770.0 0.583 0.583 0.623 -0.000 -0.000 0.000 3/43560 780.0 0.576 0.576 0.615 -0.000 -0.000 0.000 3/43560 790.0 0.569 0.569 0.607 -0.000 -0.000 0.000 3/43560 800.0 0.562 0.562 0.599 -0.000 -0.000 0.000 3/43560 810.0 0.555 0.555 0.592 -0.000 -0.000 0.000 3/43560 820.0 0.548 0.548 0.585 -0.000 -0.000 0.000 3/43560 830.0 0.542 0.542 0.578 -0.000 -0.000 0.000 3/43560 840.0 0.536 0.536 0.571 -0.000 -0.000 0.000 3/43560 850.0 0.529 0.529 0.564 -0.000 -0.000 0.000 3/43560 860.0 0.523 0.523 0.557 -0.000 -0.000 0.000 3/43560 870.0 0.517 0.517 0.551 -0.000 -0.000 0.000 3/43560 880.0 0.512 0.512 0.545 -0.000 -0.000 0.000 3/43560 890.0 0.506 0.506 0.539 -0.000 -0.000 0.000 3/43560 900.0 0.500 0.500 0.533 -0.000 -0.000 0.000 3/43560 910.0 0.495 0.495 0.527 -0.000 -0.000 0.000 3/43560 920.0 0.490 0.490 0.521 -0.000 -0.000 0.000 3/43560 930.0 0.484 0.484 0.515 -0.000 -0.000 0.000 3/43560 940.0 0.479 0.479 0.510 -0.000 -0.000 0.000 3/43560 950.0 0.474 0.474 0.505 -0.000 -0.000 0.000 3/43560 960.0 0.469 0.469 0.499 -0.000 -0.000 0.000 3/43560 970.0 0.465 0.465 0.494 -0.000 -0.000 0.000 3/43560 980.0 0.460 0.460 0.489 -0.000 -0.000 0.000 3/43560 990.0 0.455 0.455 0.484 -0.000 -0.000 0.000 3/43560 1000.0 0.451 0.451 0.479 -0.000 -0.000 0.000 3/43560 Thermal conductivity related properties were written into "kappa-m11114.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:50:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|