----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:29:18]------------------------- 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: P2_1/m (11) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.533156210041483 0.000000000000000 0.000000000000000 b 0.000000000000000 7.534642419999999 0.000000000000000 c -0.176559126209571 0.000000000000000 7.935790934103620 Atomic positions (fractional): *1 Ba 0.13933234349352 0.25000000000000 0.03590011310485 137.327 *2 Ba 0.66670492212113 0.25000000000000 0.76381205027240 137.327 3 Ba 0.86066765650648 0.75000000000000 0.96409988689515 137.327 4 Ba 0.33329507787887 0.75000000000000 0.23618794972760 137.327 *5 Y 0.31188371206639 0.75000000000000 0.75764640308140 88.906 *6 Y 0.78714779071531 0.75000000000000 0.47974828957768 88.906 7 Y 0.21285220928469 0.25000000000000 0.52025171042232 88.906 8 Y 0.68811628793361 0.25000000000000 0.24235359691860 88.906 *9 F 0.06441254796779 0.75000000000000 0.61279089054724 18.998 *10 F 0.48403350935807 0.25000000000000 0.04703933002650 18.998 *11 F 0.02241108151686 0.25000000000000 0.72202367623021 18.998 *12 F 0.17931876746666 0.58430197197557 0.95551949752045 18.998 *13 F 0.65949109413014 0.54572160991145 0.31046357771820 18.998 14 F 0.65949109413014 0.95427839008855 0.31046357771820 18.998 15 F 0.17931876746666 0.91569802802443 0.95551949752045 18.998 *16 F 0.76789493593694 0.56156723554938 0.68378524744426 18.998 17 F 0.76789493593694 0.93843276445062 0.68378524744426 18.998 *18 F 0.51468817152539 0.25000000000000 0.46027224517282 18.998 19 F 0.82068123253334 0.41569802802443 0.04448050247955 18.998 20 F 0.48531182847461 0.75000000000000 0.53972775482718 18.998 21 F 0.23210506406306 0.43843276445062 0.31621475255574 18.998 22 F 0.23210506406306 0.06156723554938 0.31621475255574 18.998 23 F 0.82068123253334 0.08430197197557 0.04448050247955 18.998 24 F 0.97758891848314 0.75000000000000 0.27797632376979 18.998 25 F 0.34050890586986 0.45427839008855 0.68953642228180 18.998 26 F 0.34050890586986 0.04572160991145 0.68953642228180 18.998 27 F 0.93558745203221 0.25000000000000 0.38720910945276 18.998 28 F 0.51596649064193 0.75000000000000 0.95296066997350 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.533156210041483 0.000000000000000 0.000000000000000 b 0.000000000000000 7.534642419999999 0.000000000000000 c -0.176559126209571 0.000000000000000 7.935790934103620 Atomic positions (fractional): *1 Ba 0.13933234349352 0.25000000000000 0.03590011310485 137.327 > 1 *2 Ba 0.66670492212113 0.25000000000000 0.76381205027240 137.327 > 2 3 Ba 0.86066765650648 0.75000000000000 0.96409988689515 137.327 > 3 4 Ba 0.33329507787887 0.75000000000000 0.23618794972760 137.327 > 4 *5 Y 0.31188371206639 0.75000000000000 0.75764640308140 88.906 > 5 *6 Y 0.78714779071531 0.75000000000000 0.47974828957768 88.906 > 6 7 Y 0.21285220928469 0.25000000000000 0.52025171042232 88.906 > 7 8 Y 0.68811628793361 0.25000000000000 0.24235359691860 88.906 > 8 *9 F 0.06441254796779 0.75000000000000 0.61279089054724 18.998 > 9 *10 F 0.48403350935807 0.25000000000000 0.04703933002650 18.998 > 10 *11 F 0.02241108151686 0.25000000000000 0.72202367623021 18.998 > 11 *12 F 0.17931876746666 0.58430197197557 0.95551949752045 18.998 > 12 *13 F 0.65949109413014 0.54572160991145 0.31046357771820 18.998 > 13 14 F 0.65949109413014 0.95427839008855 0.31046357771820 18.998 > 14 15 F 0.17931876746666 0.91569802802443 0.95551949752045 18.998 > 15 *16 F 0.76789493593694 0.56156723554938 0.68378524744426 18.998 > 16 17 F 0.76789493593694 0.93843276445062 0.68378524744426 18.998 > 17 *18 F 0.51468817152539 0.25000000000000 0.46027224517282 18.998 > 18 19 F 0.82068123253334 0.41569802802443 0.04448050247955 18.998 > 19 20 F 0.48531182847461 0.75000000000000 0.53972775482718 18.998 > 20 21 F 0.23210506406306 0.43843276445062 0.31621475255574 18.998 > 21 22 F 0.23210506406306 0.06156723554938 0.31621475255574 18.998 > 22 23 F 0.82068123253334 0.08430197197557 0.04448050247955 18.998 > 23 24 F 0.97758891848314 0.75000000000000 0.27797632376979 18.998 > 24 25 F 0.34050890586986 0.45427839008855 0.68953642228180 18.998 > 25 26 F 0.34050890586986 0.04572160991145 0.68953642228180 18.998 > 26 27 F 0.93558745203221 0.25000000000000 0.38720910945276 18.998 > 27 28 F 0.51596649064193 0.75000000000000 0.95296066997350 18.998 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.066312420082966 0.000000000000000 0.000000000000000 b 0.000000000000000 15.069284839999998 0.000000000000000 c -0.176559126209571 0.000000000000000 7.935790934103620 Atomic positions (fractional): *1 Ba 0.06966617174676 0.12500000000000 0.03590011310485 137.327 > 1 2 Ba 0.56966617174676 0.12500000000000 0.03590011310485 137.327 > 1 3 Ba 0.06966617174676 0.62500000000000 0.03590011310485 137.327 > 1 4 Ba 0.56966617174676 0.62500000000000 0.03590011310485 137.327 > 1 *5 Ba 0.33335246106057 0.12500000000000 0.76381205027240 137.327 > 2 6 Ba 0.83335246106057 0.12500000000000 0.76381205027240 137.327 > 2 7 Ba 0.33335246106057 0.62500000000000 0.76381205027240 137.327 > 2 8 Ba 0.83335246106057 0.62500000000000 0.76381205027240 137.327 > 2 9 Ba 0.43033382825324 0.37500000000000 0.96409988689515 137.327 > 3 10 Ba 0.93033382825324 0.37500000000000 0.96409988689515 137.327 > 3 11 Ba 0.43033382825324 0.87500000000000 0.96409988689515 137.327 > 3 12 Ba 0.93033382825324 0.87500000000000 0.96409988689515 137.327 > 3 13 Ba 0.16664753893943 0.37500000000000 0.23618794972760 137.327 > 4 14 Ba 0.66664753893943 0.37500000000000 0.23618794972760 137.327 > 4 15 Ba 0.16664753893943 0.87500000000000 0.23618794972760 137.327 > 4 16 Ba 0.66664753893943 0.87500000000000 0.23618794972760 137.327 > 4 *17 Y 0.15594185603320 0.37500000000000 0.75764640308140 88.906 > 5 18 Y 0.65594185603320 0.37500000000000 0.75764640308140 88.906 > 5 19 Y 0.15594185603320 0.87500000000000 0.75764640308140 88.906 > 5 20 Y 0.65594185603320 0.87500000000000 0.75764640308140 88.906 > 5 *21 Y 0.39357389535766 0.37500000000000 0.47974828957768 88.906 > 6 22 Y 0.89357389535766 0.37500000000000 0.47974828957768 88.906 > 6 23 Y 0.39357389535766 0.87500000000000 0.47974828957768 88.906 > 6 24 Y 0.89357389535766 0.87500000000000 0.47974828957768 88.906 > 6 25 Y 0.10642610464235 0.12500000000000 0.52025171042232 88.906 > 7 26 Y 0.60642610464235 0.12500000000000 0.52025171042232 88.906 > 7 27 Y 0.10642610464235 0.62500000000000 0.52025171042232 88.906 > 7 28 Y 0.60642610464235 0.62500000000000 0.52025171042232 88.906 > 7 29 Y 0.34405814396680 0.12500000000000 0.24235359691860 88.906 > 8 30 Y 0.84405814396680 0.12500000000000 0.24235359691860 88.906 > 8 31 Y 0.34405814396680 0.62500000000000 0.24235359691860 88.906 > 8 32 Y 0.84405814396680 0.62500000000000 0.24235359691860 88.906 > 8 *33 F 0.03220627398389 0.37500000000000 0.61279089054724 18.998 > 9 34 F 0.53220627398389 0.37500000000000 0.61279089054724 18.998 > 9 35 F 0.03220627398389 0.87500000000000 0.61279089054724 18.998 > 9 36 F 0.53220627398389 0.87500000000000 0.61279089054724 18.998 > 9 *37 F 0.24201675467904 0.12500000000000 0.04703933002650 18.998 > 10 38 F 0.74201675467904 0.12500000000000 0.04703933002650 18.998 > 10 39 F 0.24201675467904 0.62500000000000 0.04703933002650 18.998 > 10 40 F 0.74201675467904 0.62500000000000 0.04703933002650 18.998 > 10 *41 F 0.01120554075843 0.12500000000000 0.72202367623021 18.998 > 11 42 F 0.51120554075843 0.12500000000000 0.72202367623021 18.998 > 11 43 F 0.01120554075843 0.62500000000000 0.72202367623021 18.998 > 11 44 F 0.51120554075843 0.62500000000000 0.72202367623021 18.998 > 11 *45 F 0.08965938373333 0.29215098598778 0.95551949752045 18.998 > 12 46 F 0.58965938373333 0.29215098598778 0.95551949752045 18.998 > 12 47 F 0.08965938373333 0.79215098598778 0.95551949752045 18.998 > 12 48 F 0.58965938373333 0.79215098598778 0.95551949752045 18.998 > 12 *49 F 0.32974554706507 0.27286080495573 0.31046357771820 18.998 > 13 50 F 0.82974554706507 0.27286080495573 0.31046357771820 18.998 > 13 51 F 0.32974554706507 0.77286080495573 0.31046357771820 18.998 > 13 52 F 0.82974554706507 0.77286080495573 0.31046357771820 18.998 > 13 53 F 0.32974554706507 0.47713919504427 0.31046357771820 18.998 > 14 54 F 0.82974554706507 0.47713919504427 0.31046357771820 18.998 > 14 55 F 0.32974554706507 0.97713919504427 0.31046357771820 18.998 > 14 56 F 0.82974554706507 0.97713919504427 0.31046357771820 18.998 > 14 57 F 0.08965938373333 0.45784901401222 0.95551949752045 18.998 > 15 58 F 0.58965938373333 0.45784901401222 0.95551949752045 18.998 > 15 59 F 0.08965938373333 0.95784901401222 0.95551949752045 18.998 > 15 60 F 0.58965938373333 0.95784901401222 0.95551949752045 18.998 > 15 *61 F 0.38394746796847 0.28078361777469 0.68378524744426 18.998 > 16 62 F 0.88394746796847 0.28078361777469 0.68378524744426 18.998 > 16 63 F 0.38394746796847 0.78078361777469 0.68378524744426 18.998 > 16 64 F 0.88394746796847 0.78078361777469 0.68378524744426 18.998 > 16 65 F 0.38394746796847 0.46921638222531 0.68378524744426 18.998 > 17 66 F 0.88394746796847 0.46921638222531 0.68378524744426 18.998 > 17 67 F 0.38394746796847 0.96921638222531 0.68378524744426 18.998 > 17 68 F 0.88394746796847 0.96921638222531 0.68378524744426 18.998 > 17 *69 F 0.25734408576270 0.12500000000000 0.46027224517282 18.998 > 18 70 F 0.75734408576270 0.12500000000000 0.46027224517282 18.998 > 18 71 F 0.25734408576270 0.62500000000000 0.46027224517282 18.998 > 18 72 F 0.75734408576270 0.62500000000000 0.46027224517282 18.998 > 18 73 F 0.41034061626667 0.20784901401222 0.04448050247955 18.998 > 19 74 F 0.91034061626667 0.20784901401222 0.04448050247955 18.998 > 19 75 F 0.41034061626667 0.70784901401222 0.04448050247955 18.998 > 19 76 F 0.91034061626667 0.70784901401222 0.04448050247955 18.998 > 19 77 F 0.24265591423730 0.37500000000000 0.53972775482718 18.998 > 20 78 F 0.74265591423730 0.37500000000000 0.53972775482718 18.998 > 20 79 F 0.24265591423730 0.87500000000000 0.53972775482718 18.998 > 20 80 F 0.74265591423730 0.87500000000000 0.53972775482718 18.998 > 20 81 F 0.11605253203153 0.21921638222531 0.31621475255574 18.998 > 21 82 F 0.61605253203153 0.21921638222531 0.31621475255574 18.998 > 21 83 F 0.11605253203153 0.71921638222531 0.31621475255574 18.998 > 21 84 F 0.61605253203153 0.71921638222531 0.31621475255574 18.998 > 21 85 F 0.11605253203153 0.03078361777469 0.31621475255574 18.998 > 22 86 F 0.61605253203153 0.03078361777469 0.31621475255574 18.998 > 22 87 F 0.11605253203153 0.53078361777469 0.31621475255574 18.998 > 22 88 F 0.61605253203153 0.53078361777469 0.31621475255574 18.998 > 22 89 F 0.41034061626667 0.04215098598778 0.04448050247955 18.998 > 23 90 F 0.91034061626667 0.04215098598778 0.04448050247955 18.998 > 23 91 F 0.41034061626667 0.54215098598778 0.04448050247955 18.998 > 23 92 F 0.91034061626667 0.54215098598778 0.04448050247955 18.998 > 23 93 F 0.48879445924157 0.37500000000000 0.27797632376979 18.998 > 24 94 F 0.98879445924157 0.37500000000000 0.27797632376979 18.998 > 24 95 F 0.48879445924157 0.87500000000000 0.27797632376979 18.998 > 24 96 F 0.98879445924157 0.87500000000000 0.27797632376979 18.998 > 24 97 F 0.17025445293493 0.22713919504427 0.68953642228180 18.998 > 25 98 F 0.67025445293493 0.22713919504427 0.68953642228180 18.998 > 25 99 F 0.17025445293493 0.72713919504427 0.68953642228180 18.998 > 25 100 F 0.67025445293493 0.72713919504427 0.68953642228180 18.998 > 25 101 F 0.17025445293493 0.02286080495573 0.68953642228180 18.998 > 26 102 F 0.67025445293493 0.02286080495573 0.68953642228180 18.998 > 26 103 F 0.17025445293493 0.52286080495573 0.68953642228180 18.998 > 26 104 F 0.67025445293493 0.52286080495573 0.68953642228180 18.998 > 26 105 F 0.46779372601611 0.12500000000000 0.38720910945276 18.998 > 27 106 F 0.96779372601611 0.12500000000000 0.38720910945276 18.998 > 27 107 F 0.46779372601611 0.62500000000000 0.38720910945276 18.998 > 27 108 F 0.96779372601611 0.62500000000000 0.38720910945276 18.998 > 27 109 F 0.25798324532096 0.37500000000000 0.95296066997350 18.998 > 28 110 F 0.75798324532096 0.37500000000000 0.95296066997350 18.998 > 28 111 F 0.25798324532096 0.87500000000000 0.95296066997350 18.998 > 28 112 F 0.75798324532096 0.87500000000000 0.95296066997350 18.998 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4334388 0.0000000 0.0097709 0.0000000 2.4185126 0.0000000 0.0097708 0.0000000 2.5082587 -------------------------- Born effective charges -------------------------- 1 Ba 2.6646220 0.0000000 0.1292099 -0.0000000 2.6768872 0.0000000 0.1956748 0.0000000 2.6118050 2 Ba 2.5754188 0.0000000 0.1393995 -0.0000000 2.6841573 0.0000000 0.1122754 0.0000000 2.6815998 3 Ba 2.6646220 0.0000000 0.1292099 -0.0000000 2.6768872 0.0000000 0.1956748 0.0000000 2.6118050 4 Ba 2.5754188 0.0000000 0.1393995 -0.0000000 2.6841573 0.0000000 0.1122754 0.0000000 2.6815998 5 Y 3.5892704 0.0000000 -0.1345962 -0.0000000 3.5908639 0.0000000 -0.1863099 0.0000000 3.8835843 6 Y 3.6319312 0.0000000 -0.0284724 -0.0000000 3.3018033 0.0000000 -0.0275355 0.0000000 4.0814695 7 Y 3.6319312 0.0000000 -0.0284724 -0.0000000 3.3018033 0.0000000 -0.0275355 0.0000000 4.0814695 8 Y 3.5892704 0.0000000 -0.1345962 -0.0000000 3.5908639 0.0000000 -0.1863099 0.0000000 3.8835843 9 F -1.8315886 0.0000000 -0.5278821 -0.0000000 -0.7148272 0.0000000 -0.5299461 0.0000000 -1.2087784 10 F -1.7150689 0.0000000 -0.2702731 -0.0000000 -0.6909139 0.0000000 -0.2183603 0.0000000 -1.4345794 11 F -1.4777540 0.0000000 0.3276709 -0.0000000 -0.7015343 0.0000000 0.3513183 0.0000000 -1.6187309 12 F -1.1509628 -0.1159194 0.1413331 -0.1238259 -1.4288195 0.2458116 0.1431884 0.2398902 -1.2563090 13 F -0.9753376 0.0032277 -0.1314253 -0.0598600 -1.7230467 -0.3906698 -0.1622019 -0.4294071 -1.0581382 14 F -0.9753376 -0.0032277 -0.1314253 0.0598600 -1.7230467 0.3906698 -0.1622019 0.4294071 -1.0581382 15 F -1.1509628 0.1159194 0.1413331 0.1238259 -1.4288195 -0.2458116 0.1431884 -0.2398902 -1.2563090 16 F -0.7942800 -0.1957347 -0.0061175 -0.2455677 -1.5699332 0.3763568 0.0014627 0.3398663 -1.4211881 17 F -0.7942800 0.1957347 -0.0061175 0.2455677 -1.5699332 -0.3763568 0.0014627 -0.3398663 -1.4211881 18 F -1.5956700 0.0000000 0.3573629 -0.0000000 -0.7028378 0.0000000 0.3379847 0.0000000 -1.5250992 19 F -1.1509628 -0.1159194 0.1413331 -0.1238259 -1.4288195 0.2458116 0.1431884 0.2398902 -1.2563090 20 F -1.5956700 0.0000000 0.3573629 -0.0000000 -0.7028378 0.0000000 0.3379847 0.0000000 -1.5250992 21 F -0.7942800 -0.1957347 -0.0061175 -0.2455677 -1.5699332 0.3763568 0.0014627 0.3398663 -1.4211881 22 F -0.7942800 0.1957347 -0.0061175 0.2455677 -1.5699332 -0.3763568 0.0014627 -0.3398663 -1.4211881 23 F -1.1509628 0.1159194 0.1413331 0.1238259 -1.4288195 -0.2458116 0.1431884 -0.2398902 -1.2563090 24 F -1.4777540 0.0000000 0.3276709 -0.0000000 -0.7015343 0.0000000 0.3513183 0.0000000 -1.6187309 25 F -0.9753376 0.0032277 -0.1314253 -0.0598600 -1.7230467 -0.3906698 -0.1622019 -0.4294071 -1.0581382 26 F -0.9753376 -0.0032277 -0.1314253 0.0598600 -1.7230467 0.3906698 -0.1622019 0.4294071 -1.0581382 27 F -1.8315886 0.0000000 -0.5278821 -0.0000000 -0.7148272 0.0000000 -0.5299461 0.0000000 -1.2087784 28 F -1.7150689 0.0000000 -0.2702731 -0.0000000 -0.6909139 0.0000000 -0.2183603 0.0000000 -1.4345794 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3718 Number of blocks in projector: 3718 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 912 Use submatrix version of eigh solver. (1) Block: 500 / 912 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 912 / 912 (1) 397 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 656 / 656 (1) 150 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 656 / 656 (1) 150 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 498 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 498 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 498 Use standard eigh solver. Tree of FC basis block matrices: - (3718, 3652), data: False |-- (498, 487), data: True |-- (498, 487), data: True |-- (498, 487), data: True |-- (656, 650), data: False |-- (656, 6), data: (656, 12) @ (12, 6) |-- (156, 150), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (656, 650), data: False |-- (656, 6), data: (656, 12) @ (12, 6) |-- (156, 150), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (912, 891), data: False |-- (912, 15), data: (912, 36) @ (36, 15) |-- (412, 397), data: True |-- (500, 479), data: False |-- (500, 15), data: (500, 36) @ (36, 15) |-- (250, 229), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.029 Solver_block: 200 / 880 - Time: 0.888 Solver_block: 300 / 880 - Time: 0.874 Solver_block: 400 / 880 - Time: 0.887 Solver_block: 500 / 880 - Time: 0.878 Solver_block: 600 / 880 - Time: 0.876 Solver_block: 700 / 880 - Time: 0.884 Solver_block: 800 / 880 - Time: 0.878 Solver_block: 880 / 880 - Time: 0.738 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.113 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3718 Number of blocks in projector: 3718 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 912 Use submatrix version of eigh solver. (1) Block: 500 / 912 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 912 / 912 (1) 397 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 656 / 656 (1) 150 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 656 / 656 (1) 150 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 498 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 498 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 498 Use standard eigh solver. Tree of FC basis block matrices: - (3718, 3652), data: False |-- (498, 487), data: True |-- (498, 487), data: True |-- (498, 487), data: True |-- (656, 650), data: False |-- (656, 6), data: (656, 12) @ (12, 6) |-- (156, 150), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (656, 650), data: False |-- (656, 6), data: (656, 12) @ (12, 6) |-- (156, 150), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (912, 891), data: False |-- (912, 15), data: (912, 36) @ (36, 15) |-- (412, 397), data: True |-- (500, 479), data: False |-- (500, 15), data: (500, 36) @ (36, 15) |-- (250, 229), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:30:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:30:05]------------------------- 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: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.533156210041483 0.000000000000000 0.000000000000000 b 0.000000000000000 7.534642419999999 0.000000000000000 c -0.176559126209571 0.000000000000000 7.935790934103620 Atomic positions (fractional): 1 Ba 0.13933234349352 0.25000000000000 0.03590011310485 137.327 2 Ba 0.66670492212113 0.25000000000000 0.76381205027240 137.327 3 Ba 0.86066765650648 0.75000000000000 0.96409988689515 137.327 4 Ba 0.33329507787887 0.75000000000000 0.23618794972760 137.327 5 Y 0.31188371206639 0.75000000000000 0.75764640308140 88.906 6 Y 0.78714779071531 0.75000000000000 0.47974828957768 88.906 7 Y 0.21285220928469 0.25000000000000 0.52025171042232 88.906 8 Y 0.68811628793361 0.25000000000000 0.24235359691860 88.906 9 F 0.06441254796779 0.75000000000000 0.61279089054724 18.998 10 F 0.48403350935807 0.25000000000000 0.04703933002650 18.998 11 F 0.02241108151686 0.25000000000000 0.72202367623021 18.998 12 F 0.17931876746666 0.58430197197557 0.95551949752045 18.998 13 F 0.65949109413014 0.54572160991145 0.31046357771820 18.998 14 F 0.65949109413014 0.95427839008855 0.31046357771820 18.998 15 F 0.17931876746666 0.91569802802443 0.95551949752045 18.998 16 F 0.76789493593694 0.56156723554938 0.68378524744426 18.998 17 F 0.76789493593694 0.93843276445062 0.68378524744426 18.998 18 F 0.51468817152539 0.25000000000000 0.46027224517282 18.998 19 F 0.82068123253334 0.41569802802443 0.04448050247955 18.998 20 F 0.48531182847461 0.75000000000000 0.53972775482718 18.998 21 F 0.23210506406306 0.43843276445062 0.31621475255574 18.998 22 F 0.23210506406306 0.06156723554938 0.31621475255574 18.998 23 F 0.82068123253334 0.08430197197557 0.04448050247955 18.998 24 F 0.97758891848314 0.75000000000000 0.27797632376979 18.998 25 F 0.34050890586986 0.45427839008855 0.68953642228180 18.998 26 F 0.34050890586986 0.04572160991145 0.68953642228180 18.998 27 F 0.93558745203221 0.25000000000000 0.38720910945276 18.998 28 F 0.51596649064193 0.75000000000000 0.95296066997350 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.066312420082966 0.000000000000000 0.000000000000000 b 0.000000000000000 15.069284839999998 0.000000000000000 c -0.176559126209571 0.000000000000000 7.935790934103620 Atomic positions (fractional): 1 Ba 0.06966617174676 0.12500000000000 0.03590011310485 137.327 > 1 2 Ba 0.56966617174676 0.12500000000000 0.03590011310485 137.327 > 1 3 Ba 0.06966617174676 0.62500000000000 0.03590011310485 137.327 > 1 4 Ba 0.56966617174676 0.62500000000000 0.03590011310485 137.327 > 1 5 Ba 0.33335246106057 0.12500000000000 0.76381205027240 137.327 > 5 6 Ba 0.83335246106057 0.12500000000000 0.76381205027240 137.327 > 5 7 Ba 0.33335246106057 0.62500000000000 0.76381205027240 137.327 > 5 8 Ba 0.83335246106057 0.62500000000000 0.76381205027240 137.327 > 5 9 Ba 0.43033382825324 0.37500000000000 0.96409988689515 137.327 > 9 10 Ba 0.93033382825324 0.37500000000000 0.96409988689515 137.327 > 9 11 Ba 0.43033382825324 0.87500000000000 0.96409988689515 137.327 > 9 12 Ba 0.93033382825324 0.87500000000000 0.96409988689515 137.327 > 9 13 Ba 0.16664753893943 0.37500000000000 0.23618794972760 137.327 > 13 14 Ba 0.66664753893943 0.37500000000000 0.23618794972760 137.327 > 13 15 Ba 0.16664753893943 0.87500000000000 0.23618794972760 137.327 > 13 16 Ba 0.66664753893943 0.87500000000000 0.23618794972760 137.327 > 13 17 Y 0.15594185603320 0.37500000000000 0.75764640308140 88.906 > 17 18 Y 0.65594185603320 0.37500000000000 0.75764640308140 88.906 > 17 19 Y 0.15594185603320 0.87500000000000 0.75764640308140 88.906 > 17 20 Y 0.65594185603320 0.87500000000000 0.75764640308140 88.906 > 17 21 Y 0.39357389535766 0.37500000000000 0.47974828957768 88.906 > 21 22 Y 0.89357389535766 0.37500000000000 0.47974828957768 88.906 > 21 23 Y 0.39357389535766 0.87500000000000 0.47974828957768 88.906 > 21 24 Y 0.89357389535766 0.87500000000000 0.47974828957768 88.906 > 21 25 Y 0.10642610464235 0.12500000000000 0.52025171042232 88.906 > 25 26 Y 0.60642610464235 0.12500000000000 0.52025171042232 88.906 > 25 27 Y 0.10642610464235 0.62500000000000 0.52025171042232 88.906 > 25 28 Y 0.60642610464235 0.62500000000000 0.52025171042232 88.906 > 25 29 Y 0.34405814396680 0.12500000000000 0.24235359691860 88.906 > 29 30 Y 0.84405814396680 0.12500000000000 0.24235359691860 88.906 > 29 31 Y 0.34405814396680 0.62500000000000 0.24235359691860 88.906 > 29 32 Y 0.84405814396680 0.62500000000000 0.24235359691860 88.906 > 29 33 F 0.03220627398389 0.37500000000000 0.61279089054724 18.998 > 33 34 F 0.53220627398389 0.37500000000000 0.61279089054724 18.998 > 33 35 F 0.03220627398389 0.87500000000000 0.61279089054724 18.998 > 33 36 F 0.53220627398389 0.87500000000000 0.61279089054724 18.998 > 33 37 F 0.24201675467904 0.12500000000000 0.04703933002650 18.998 > 37 38 F 0.74201675467904 0.12500000000000 0.04703933002650 18.998 > 37 39 F 0.24201675467904 0.62500000000000 0.04703933002650 18.998 > 37 40 F 0.74201675467904 0.62500000000000 0.04703933002650 18.998 > 37 41 F 0.01120554075843 0.12500000000000 0.72202367623021 18.998 > 41 42 F 0.51120554075843 0.12500000000000 0.72202367623021 18.998 > 41 43 F 0.01120554075843 0.62500000000000 0.72202367623021 18.998 > 41 44 F 0.51120554075843 0.62500000000000 0.72202367623021 18.998 > 41 45 F 0.08965938373333 0.29215098598778 0.95551949752045 18.998 > 45 46 F 0.58965938373333 0.29215098598778 0.95551949752045 18.998 > 45 47 F 0.08965938373333 0.79215098598778 0.95551949752045 18.998 > 45 48 F 0.58965938373333 0.79215098598778 0.95551949752045 18.998 > 45 49 F 0.32974554706507 0.27286080495573 0.31046357771820 18.998 > 49 50 F 0.82974554706507 0.27286080495573 0.31046357771820 18.998 > 49 51 F 0.32974554706507 0.77286080495573 0.31046357771820 18.998 > 49 52 F 0.82974554706507 0.77286080495573 0.31046357771820 18.998 > 49 53 F 0.32974554706507 0.47713919504427 0.31046357771820 18.998 > 53 54 F 0.82974554706507 0.47713919504427 0.31046357771820 18.998 > 53 55 F 0.32974554706507 0.97713919504427 0.31046357771820 18.998 > 53 56 F 0.82974554706507 0.97713919504427 0.31046357771820 18.998 > 53 57 F 0.08965938373333 0.45784901401222 0.95551949752045 18.998 > 57 58 F 0.58965938373333 0.45784901401222 0.95551949752045 18.998 > 57 59 F 0.08965938373333 0.95784901401222 0.95551949752045 18.998 > 57 60 F 0.58965938373333 0.95784901401222 0.95551949752045 18.998 > 57 61 F 0.38394746796847 0.28078361777469 0.68378524744426 18.998 > 61 62 F 0.88394746796847 0.28078361777469 0.68378524744426 18.998 > 61 63 F 0.38394746796847 0.78078361777469 0.68378524744426 18.998 > 61 64 F 0.88394746796847 0.78078361777469 0.68378524744426 18.998 > 61 65 F 0.38394746796847 0.46921638222531 0.68378524744426 18.998 > 65 66 F 0.88394746796847 0.46921638222531 0.68378524744426 18.998 > 65 67 F 0.38394746796847 0.96921638222531 0.68378524744426 18.998 > 65 68 F 0.88394746796847 0.96921638222531 0.68378524744426 18.998 > 65 69 F 0.25734408576270 0.12500000000000 0.46027224517282 18.998 > 69 70 F 0.75734408576270 0.12500000000000 0.46027224517282 18.998 > 69 71 F 0.25734408576270 0.62500000000000 0.46027224517282 18.998 > 69 72 F 0.75734408576270 0.62500000000000 0.46027224517282 18.998 > 69 73 F 0.41034061626667 0.20784901401222 0.04448050247955 18.998 > 73 74 F 0.91034061626667 0.20784901401222 0.04448050247955 18.998 > 73 75 F 0.41034061626667 0.70784901401222 0.04448050247955 18.998 > 73 76 F 0.91034061626667 0.70784901401222 0.04448050247955 18.998 > 73 77 F 0.24265591423730 0.37500000000000 0.53972775482718 18.998 > 77 78 F 0.74265591423730 0.37500000000000 0.53972775482718 18.998 > 77 79 F 0.24265591423730 0.87500000000000 0.53972775482718 18.998 > 77 80 F 0.74265591423730 0.87500000000000 0.53972775482718 18.998 > 77 81 F 0.11605253203153 0.21921638222531 0.31621475255574 18.998 > 81 82 F 0.61605253203153 0.21921638222531 0.31621475255574 18.998 > 81 83 F 0.11605253203153 0.71921638222531 0.31621475255574 18.998 > 81 84 F 0.61605253203153 0.71921638222531 0.31621475255574 18.998 > 81 85 F 0.11605253203153 0.03078361777469 0.31621475255574 18.998 > 85 86 F 0.61605253203153 0.03078361777469 0.31621475255574 18.998 > 85 87 F 0.11605253203153 0.53078361777469 0.31621475255574 18.998 > 85 88 F 0.61605253203153 0.53078361777469 0.31621475255574 18.998 > 85 89 F 0.41034061626667 0.04215098598778 0.04448050247955 18.998 > 89 90 F 0.91034061626667 0.04215098598778 0.04448050247955 18.998 > 89 91 F 0.41034061626667 0.54215098598778 0.04448050247955 18.998 > 89 92 F 0.91034061626667 0.54215098598778 0.04448050247955 18.998 > 89 93 F 0.48879445924157 0.37500000000000 0.27797632376979 18.998 > 93 94 F 0.98879445924157 0.37500000000000 0.27797632376979 18.998 > 93 95 F 0.48879445924157 0.87500000000000 0.27797632376979 18.998 > 93 96 F 0.98879445924157 0.87500000000000 0.27797632376979 18.998 > 93 97 F 0.17025445293493 0.22713919504427 0.68953642228180 18.998 > 97 98 F 0.67025445293493 0.22713919504427 0.68953642228180 18.998 > 97 99 F 0.17025445293493 0.72713919504427 0.68953642228180 18.998 > 97 100 F 0.67025445293493 0.72713919504427 0.68953642228180 18.998 > 97 101 F 0.17025445293493 0.02286080495573 0.68953642228180 18.998 > 101 102 F 0.67025445293493 0.02286080495573 0.68953642228180 18.998 > 101 103 F 0.17025445293493 0.52286080495573 0.68953642228180 18.998 > 101 104 F 0.67025445293493 0.52286080495573 0.68953642228180 18.998 > 101 105 F 0.46779372601611 0.12500000000000 0.38720910945276 18.998 > 105 106 F 0.96779372601611 0.12500000000000 0.38720910945276 18.998 > 105 107 F 0.46779372601611 0.62500000000000 0.38720910945276 18.998 > 105 108 F 0.96779372601611 0.62500000000000 0.38720910945276 18.998 > 105 109 F 0.25798324532096 0.37500000000000 0.95296066997350 18.998 > 109 110 F 0.75798324532096 0.37500000000000 0.95296066997350 18.998 > 109 111 F 0.25798324532096 0.87500000000000 0.95296066997350 18.998 > 109 112 F 0.75798324532096 0.87500000000000 0.95296066997350 18.998 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4334388 0.0000000 0.0097709 0.0000000 2.4185126 0.0000000 0.0097708 0.0000000 2.5082587 -------------------------- Born effective charges -------------------------- 1 Ba 2.6646220 0.0000000 0.1292099 -0.0000000 2.6768872 0.0000000 0.1956748 0.0000000 2.6118050 2 Ba 2.5754188 0.0000000 0.1393995 -0.0000000 2.6841573 0.0000000 0.1122754 0.0000000 2.6815998 3 Ba 2.6646220 0.0000000 0.1292099 -0.0000000 2.6768872 0.0000000 0.1956748 0.0000000 2.6118050 4 Ba 2.5754188 0.0000000 0.1393995 -0.0000000 2.6841573 0.0000000 0.1122754 0.0000000 2.6815998 5 Y 3.5892704 0.0000000 -0.1345962 -0.0000000 3.5908639 0.0000000 -0.1863099 0.0000000 3.8835843 6 Y 3.6319312 0.0000000 -0.0284724 -0.0000000 3.3018033 0.0000000 -0.0275355 0.0000000 4.0814695 7 Y 3.6319312 0.0000000 -0.0284724 -0.0000000 3.3018033 0.0000000 -0.0275355 0.0000000 4.0814695 8 Y 3.5892704 0.0000000 -0.1345962 -0.0000000 3.5908639 0.0000000 -0.1863099 0.0000000 3.8835843 9 F -1.8315886 0.0000000 -0.5278821 -0.0000000 -0.7148272 0.0000000 -0.5299461 0.0000000 -1.2087784 10 F -1.7150689 0.0000000 -0.2702731 -0.0000000 -0.6909139 0.0000000 -0.2183603 0.0000000 -1.4345794 11 F -1.4777540 0.0000000 0.3276709 -0.0000000 -0.7015343 0.0000000 0.3513183 0.0000000 -1.6187309 12 F -1.1509628 -0.1159194 0.1413331 -0.1238259 -1.4288195 0.2458116 0.1431884 0.2398902 -1.2563090 13 F -0.9753376 0.0032277 -0.1314253 -0.0598600 -1.7230467 -0.3906698 -0.1622019 -0.4294071 -1.0581382 14 F -0.9753376 -0.0032277 -0.1314253 0.0598600 -1.7230467 0.3906698 -0.1622019 0.4294071 -1.0581382 15 F -1.1509628 0.1159194 0.1413331 0.1238259 -1.4288195 -0.2458116 0.1431884 -0.2398902 -1.2563090 16 F -0.7942800 -0.1957347 -0.0061175 -0.2455677 -1.5699332 0.3763568 0.0014627 0.3398663 -1.4211881 17 F -0.7942800 0.1957347 -0.0061175 0.2455677 -1.5699332 -0.3763568 0.0014627 -0.3398663 -1.4211881 18 F -1.5956700 0.0000000 0.3573629 -0.0000000 -0.7028378 0.0000000 0.3379847 0.0000000 -1.5250992 19 F -1.1509628 -0.1159194 0.1413331 -0.1238259 -1.4288195 0.2458116 0.1431884 0.2398902 -1.2563090 20 F -1.5956700 0.0000000 0.3573629 -0.0000000 -0.7028378 0.0000000 0.3379847 0.0000000 -1.5250992 21 F -0.7942800 -0.1957347 -0.0061175 -0.2455677 -1.5699332 0.3763568 0.0014627 0.3398663 -1.4211881 22 F -0.7942800 0.1957347 -0.0061175 0.2455677 -1.5699332 -0.3763568 0.0014627 -0.3398663 -1.4211881 23 F -1.1509628 0.1159194 0.1413331 0.1238259 -1.4288195 -0.2458116 0.1431884 -0.2398902 -1.2563090 24 F -1.4777540 0.0000000 0.3276709 -0.0000000 -0.7015343 0.0000000 0.3513183 0.0000000 -1.6187309 25 F -0.9753376 0.0032277 -0.1314253 -0.0598600 -1.7230467 -0.3906698 -0.1622019 -0.4294071 -1.0581382 26 F -0.9753376 -0.0032277 -0.1314253 0.0598600 -1.7230467 0.3906698 -0.1622019 0.4294071 -1.0581382 27 F -1.8315886 0.0000000 -0.5278821 -0.0000000 -0.7148272 0.0000000 -0.5299461 0.0000000 -1.2087784 28 F -1.7150689 0.0000000 -0.2702731 -0.0000000 -0.6909139 0.0000000 -0.2183603 0.0000000 -1.4345794 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xzx) 0.00000003 (xzx) 0.00000003 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:30:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:30:44]------------------------- 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: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.533156210041483 0.000000000000000 0.000000000000000 b 0.000000000000000 7.534642419999999 0.000000000000000 c -0.176559126209571 0.000000000000000 7.935790934103620 Atomic positions (fractional): 1 Ba 0.13933234349352 0.25000000000000 0.03590011310485 137.327 2 Ba 0.66670492212113 0.25000000000000 0.76381205027240 137.327 3 Ba 0.86066765650648 0.75000000000000 0.96409988689515 137.327 4 Ba 0.33329507787887 0.75000000000000 0.23618794972760 137.327 5 Y 0.31188371206639 0.75000000000000 0.75764640308140 88.906 6 Y 0.78714779071531 0.75000000000000 0.47974828957768 88.906 7 Y 0.21285220928469 0.25000000000000 0.52025171042232 88.906 8 Y 0.68811628793361 0.25000000000000 0.24235359691860 88.906 9 F 0.06441254796779 0.75000000000000 0.61279089054724 18.998 10 F 0.48403350935807 0.25000000000000 0.04703933002650 18.998 11 F 0.02241108151686 0.25000000000000 0.72202367623021 18.998 12 F 0.17931876746666 0.58430197197557 0.95551949752045 18.998 13 F 0.65949109413014 0.54572160991145 0.31046357771820 18.998 14 F 0.65949109413014 0.95427839008855 0.31046357771820 18.998 15 F 0.17931876746666 0.91569802802443 0.95551949752045 18.998 16 F 0.76789493593694 0.56156723554938 0.68378524744426 18.998 17 F 0.76789493593694 0.93843276445062 0.68378524744426 18.998 18 F 0.51468817152539 0.25000000000000 0.46027224517282 18.998 19 F 0.82068123253334 0.41569802802443 0.04448050247955 18.998 20 F 0.48531182847461 0.75000000000000 0.53972775482718 18.998 21 F 0.23210506406306 0.43843276445062 0.31621475255574 18.998 22 F 0.23210506406306 0.06156723554938 0.31621475255574 18.998 23 F 0.82068123253334 0.08430197197557 0.04448050247955 18.998 24 F 0.97758891848314 0.75000000000000 0.27797632376979 18.998 25 F 0.34050890586986 0.45427839008855 0.68953642228180 18.998 26 F 0.34050890586986 0.04572160991145 0.68953642228180 18.998 27 F 0.93558745203221 0.25000000000000 0.38720910945276 18.998 28 F 0.51596649064193 0.75000000000000 0.95296066997350 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.066312420082966 0.000000000000000 0.000000000000000 b 0.000000000000000 15.069284839999998 0.000000000000000 c -0.176559126209571 0.000000000000000 7.935790934103620 Atomic positions (fractional): 1 Ba 0.06966617174676 0.12500000000000 0.03590011310485 137.327 > 1 2 Ba 0.56966617174676 0.12500000000000 0.03590011310485 137.327 > 1 3 Ba 0.06966617174676 0.62500000000000 0.03590011310485 137.327 > 1 4 Ba 0.56966617174676 0.62500000000000 0.03590011310485 137.327 > 1 5 Ba 0.33335246106057 0.12500000000000 0.76381205027240 137.327 > 5 6 Ba 0.83335246106057 0.12500000000000 0.76381205027240 137.327 > 5 7 Ba 0.33335246106057 0.62500000000000 0.76381205027240 137.327 > 5 8 Ba 0.83335246106057 0.62500000000000 0.76381205027240 137.327 > 5 9 Ba 0.43033382825324 0.37500000000000 0.96409988689515 137.327 > 9 10 Ba 0.93033382825324 0.37500000000000 0.96409988689515 137.327 > 9 11 Ba 0.43033382825324 0.87500000000000 0.96409988689515 137.327 > 9 12 Ba 0.93033382825324 0.87500000000000 0.96409988689515 137.327 > 9 13 Ba 0.16664753893943 0.37500000000000 0.23618794972760 137.327 > 13 14 Ba 0.66664753893943 0.37500000000000 0.23618794972760 137.327 > 13 15 Ba 0.16664753893943 0.87500000000000 0.23618794972760 137.327 > 13 16 Ba 0.66664753893943 0.87500000000000 0.23618794972760 137.327 > 13 17 Y 0.15594185603320 0.37500000000000 0.75764640308140 88.906 > 17 18 Y 0.65594185603320 0.37500000000000 0.75764640308140 88.906 > 17 19 Y 0.15594185603320 0.87500000000000 0.75764640308140 88.906 > 17 20 Y 0.65594185603320 0.87500000000000 0.75764640308140 88.906 > 17 21 Y 0.39357389535766 0.37500000000000 0.47974828957768 88.906 > 21 22 Y 0.89357389535766 0.37500000000000 0.47974828957768 88.906 > 21 23 Y 0.39357389535766 0.87500000000000 0.47974828957768 88.906 > 21 24 Y 0.89357389535766 0.87500000000000 0.47974828957768 88.906 > 21 25 Y 0.10642610464235 0.12500000000000 0.52025171042232 88.906 > 25 26 Y 0.60642610464235 0.12500000000000 0.52025171042232 88.906 > 25 27 Y 0.10642610464235 0.62500000000000 0.52025171042232 88.906 > 25 28 Y 0.60642610464235 0.62500000000000 0.52025171042232 88.906 > 25 29 Y 0.34405814396680 0.12500000000000 0.24235359691860 88.906 > 29 30 Y 0.84405814396680 0.12500000000000 0.24235359691860 88.906 > 29 31 Y 0.34405814396680 0.62500000000000 0.24235359691860 88.906 > 29 32 Y 0.84405814396680 0.62500000000000 0.24235359691860 88.906 > 29 33 F 0.03220627398389 0.37500000000000 0.61279089054724 18.998 > 33 34 F 0.53220627398389 0.37500000000000 0.61279089054724 18.998 > 33 35 F 0.03220627398389 0.87500000000000 0.61279089054724 18.998 > 33 36 F 0.53220627398389 0.87500000000000 0.61279089054724 18.998 > 33 37 F 0.24201675467904 0.12500000000000 0.04703933002650 18.998 > 37 38 F 0.74201675467904 0.12500000000000 0.04703933002650 18.998 > 37 39 F 0.24201675467904 0.62500000000000 0.04703933002650 18.998 > 37 40 F 0.74201675467904 0.62500000000000 0.04703933002650 18.998 > 37 41 F 0.01120554075843 0.12500000000000 0.72202367623021 18.998 > 41 42 F 0.51120554075843 0.12500000000000 0.72202367623021 18.998 > 41 43 F 0.01120554075843 0.62500000000000 0.72202367623021 18.998 > 41 44 F 0.51120554075843 0.62500000000000 0.72202367623021 18.998 > 41 45 F 0.08965938373333 0.29215098598778 0.95551949752045 18.998 > 45 46 F 0.58965938373333 0.29215098598778 0.95551949752045 18.998 > 45 47 F 0.08965938373333 0.79215098598778 0.95551949752045 18.998 > 45 48 F 0.58965938373333 0.79215098598778 0.95551949752045 18.998 > 45 49 F 0.32974554706507 0.27286080495573 0.31046357771820 18.998 > 49 50 F 0.82974554706507 0.27286080495573 0.31046357771820 18.998 > 49 51 F 0.32974554706507 0.77286080495573 0.31046357771820 18.998 > 49 52 F 0.82974554706507 0.77286080495573 0.31046357771820 18.998 > 49 53 F 0.32974554706507 0.47713919504427 0.31046357771820 18.998 > 53 54 F 0.82974554706507 0.47713919504427 0.31046357771820 18.998 > 53 55 F 0.32974554706507 0.97713919504427 0.31046357771820 18.998 > 53 56 F 0.82974554706507 0.97713919504427 0.31046357771820 18.998 > 53 57 F 0.08965938373333 0.45784901401222 0.95551949752045 18.998 > 57 58 F 0.58965938373333 0.45784901401222 0.95551949752045 18.998 > 57 59 F 0.08965938373333 0.95784901401222 0.95551949752045 18.998 > 57 60 F 0.58965938373333 0.95784901401222 0.95551949752045 18.998 > 57 61 F 0.38394746796847 0.28078361777469 0.68378524744426 18.998 > 61 62 F 0.88394746796847 0.28078361777469 0.68378524744426 18.998 > 61 63 F 0.38394746796847 0.78078361777469 0.68378524744426 18.998 > 61 64 F 0.88394746796847 0.78078361777469 0.68378524744426 18.998 > 61 65 F 0.38394746796847 0.46921638222531 0.68378524744426 18.998 > 65 66 F 0.88394746796847 0.46921638222531 0.68378524744426 18.998 > 65 67 F 0.38394746796847 0.96921638222531 0.68378524744426 18.998 > 65 68 F 0.88394746796847 0.96921638222531 0.68378524744426 18.998 > 65 69 F 0.25734408576270 0.12500000000000 0.46027224517282 18.998 > 69 70 F 0.75734408576270 0.12500000000000 0.46027224517282 18.998 > 69 71 F 0.25734408576270 0.62500000000000 0.46027224517282 18.998 > 69 72 F 0.75734408576270 0.62500000000000 0.46027224517282 18.998 > 69 73 F 0.41034061626667 0.20784901401222 0.04448050247955 18.998 > 73 74 F 0.91034061626667 0.20784901401222 0.04448050247955 18.998 > 73 75 F 0.41034061626667 0.70784901401222 0.04448050247955 18.998 > 73 76 F 0.91034061626667 0.70784901401222 0.04448050247955 18.998 > 73 77 F 0.24265591423730 0.37500000000000 0.53972775482718 18.998 > 77 78 F 0.74265591423730 0.37500000000000 0.53972775482718 18.998 > 77 79 F 0.24265591423730 0.87500000000000 0.53972775482718 18.998 > 77 80 F 0.74265591423730 0.87500000000000 0.53972775482718 18.998 > 77 81 F 0.11605253203153 0.21921638222531 0.31621475255574 18.998 > 81 82 F 0.61605253203153 0.21921638222531 0.31621475255574 18.998 > 81 83 F 0.11605253203153 0.71921638222531 0.31621475255574 18.998 > 81 84 F 0.61605253203153 0.71921638222531 0.31621475255574 18.998 > 81 85 F 0.11605253203153 0.03078361777469 0.31621475255574 18.998 > 85 86 F 0.61605253203153 0.03078361777469 0.31621475255574 18.998 > 85 87 F 0.11605253203153 0.53078361777469 0.31621475255574 18.998 > 85 88 F 0.61605253203153 0.53078361777469 0.31621475255574 18.998 > 85 89 F 0.41034061626667 0.04215098598778 0.04448050247955 18.998 > 89 90 F 0.91034061626667 0.04215098598778 0.04448050247955 18.998 > 89 91 F 0.41034061626667 0.54215098598778 0.04448050247955 18.998 > 89 92 F 0.91034061626667 0.54215098598778 0.04448050247955 18.998 > 89 93 F 0.48879445924157 0.37500000000000 0.27797632376979 18.998 > 93 94 F 0.98879445924157 0.37500000000000 0.27797632376979 18.998 > 93 95 F 0.48879445924157 0.87500000000000 0.27797632376979 18.998 > 93 96 F 0.98879445924157 0.87500000000000 0.27797632376979 18.998 > 93 97 F 0.17025445293493 0.22713919504427 0.68953642228180 18.998 > 97 98 F 0.67025445293493 0.22713919504427 0.68953642228180 18.998 > 97 99 F 0.17025445293493 0.72713919504427 0.68953642228180 18.998 > 97 100 F 0.67025445293493 0.72713919504427 0.68953642228180 18.998 > 97 101 F 0.17025445293493 0.02286080495573 0.68953642228180 18.998 > 101 102 F 0.67025445293493 0.02286080495573 0.68953642228180 18.998 > 101 103 F 0.17025445293493 0.52286080495573 0.68953642228180 18.998 > 101 104 F 0.67025445293493 0.52286080495573 0.68953642228180 18.998 > 101 105 F 0.46779372601611 0.12500000000000 0.38720910945276 18.998 > 105 106 F 0.96779372601611 0.12500000000000 0.38720910945276 18.998 > 105 107 F 0.46779372601611 0.62500000000000 0.38720910945276 18.998 > 105 108 F 0.96779372601611 0.62500000000000 0.38720910945276 18.998 > 105 109 F 0.25798324532096 0.37500000000000 0.95296066997350 18.998 > 109 110 F 0.75798324532096 0.37500000000000 0.95296066997350 18.998 > 109 111 F 0.25798324532096 0.87500000000000 0.95296066997350 18.998 > 109 112 F 0.75798324532096 0.87500000000000 0.95296066997350 18.998 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4334388 0.0000000 0.0097709 0.0000000 2.4185126 0.0000000 0.0097708 0.0000000 2.5082587 -------------------------- Born effective charges -------------------------- 1 Ba 2.6646220 0.0000000 0.1292099 -0.0000000 2.6768872 0.0000000 0.1956748 0.0000000 2.6118050 2 Ba 2.5754188 0.0000000 0.1393995 -0.0000000 2.6841573 0.0000000 0.1122754 0.0000000 2.6815998 3 Ba 2.6646220 0.0000000 0.1292099 -0.0000000 2.6768872 0.0000000 0.1956748 0.0000000 2.6118050 4 Ba 2.5754188 0.0000000 0.1393995 -0.0000000 2.6841573 0.0000000 0.1122754 0.0000000 2.6815998 5 Y 3.5892704 0.0000000 -0.1345962 -0.0000000 3.5908639 0.0000000 -0.1863099 0.0000000 3.8835843 6 Y 3.6319312 0.0000000 -0.0284724 -0.0000000 3.3018033 0.0000000 -0.0275355 0.0000000 4.0814695 7 Y 3.6319312 0.0000000 -0.0284724 -0.0000000 3.3018033 0.0000000 -0.0275355 0.0000000 4.0814695 8 Y 3.5892704 0.0000000 -0.1345962 -0.0000000 3.5908639 0.0000000 -0.1863099 0.0000000 3.8835843 9 F -1.8315886 0.0000000 -0.5278821 -0.0000000 -0.7148272 0.0000000 -0.5299461 0.0000000 -1.2087784 10 F -1.7150689 0.0000000 -0.2702731 -0.0000000 -0.6909139 0.0000000 -0.2183603 0.0000000 -1.4345794 11 F -1.4777540 0.0000000 0.3276709 -0.0000000 -0.7015343 0.0000000 0.3513183 0.0000000 -1.6187309 12 F -1.1509628 -0.1159194 0.1413331 -0.1238259 -1.4288195 0.2458116 0.1431884 0.2398902 -1.2563090 13 F -0.9753376 0.0032277 -0.1314253 -0.0598600 -1.7230467 -0.3906698 -0.1622019 -0.4294071 -1.0581382 14 F -0.9753376 -0.0032277 -0.1314253 0.0598600 -1.7230467 0.3906698 -0.1622019 0.4294071 -1.0581382 15 F -1.1509628 0.1159194 0.1413331 0.1238259 -1.4288195 -0.2458116 0.1431884 -0.2398902 -1.2563090 16 F -0.7942800 -0.1957347 -0.0061175 -0.2455677 -1.5699332 0.3763568 0.0014627 0.3398663 -1.4211881 17 F -0.7942800 0.1957347 -0.0061175 0.2455677 -1.5699332 -0.3763568 0.0014627 -0.3398663 -1.4211881 18 F -1.5956700 0.0000000 0.3573629 -0.0000000 -0.7028378 0.0000000 0.3379847 0.0000000 -1.5250992 19 F -1.1509628 -0.1159194 0.1413331 -0.1238259 -1.4288195 0.2458116 0.1431884 0.2398902 -1.2563090 20 F -1.5956700 0.0000000 0.3573629 -0.0000000 -0.7028378 0.0000000 0.3379847 0.0000000 -1.5250992 21 F -0.7942800 -0.1957347 -0.0061175 -0.2455677 -1.5699332 0.3763568 0.0014627 0.3398663 -1.4211881 22 F -0.7942800 0.1957347 -0.0061175 0.2455677 -1.5699332 -0.3763568 0.0014627 -0.3398663 -1.4211881 23 F -1.1509628 0.1159194 0.1413331 0.1238259 -1.4288195 -0.2458116 0.1431884 -0.2398902 -1.2563090 24 F -1.4777540 0.0000000 0.3276709 -0.0000000 -0.7015343 0.0000000 0.3513183 0.0000000 -1.6187309 25 F -0.9753376 0.0032277 -0.1314253 -0.0598600 -1.7230467 -0.3906698 -0.1622019 -0.4294071 -1.0581382 26 F -0.9753376 -0.0032277 -0.1314253 0.0598600 -1.7230467 0.3906698 -0.1622019 0.4294071 -1.0581382 27 F -1.8315886 0.0000000 -0.5278821 -0.0000000 -0.7148272 0.0000000 -0.5299461 0.0000000 -1.2087784 28 F -1.7150689 0.0000000 -0.2702731 -0.0000000 -0.6909139 0.0000000 -0.2183603 0.0000000 -1.4345794 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xzx) 0.00000003 (xzx) 0.00000003 (xxz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 289, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 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 1.447 ( 0.000 0.000 0.000) 0.000 1.606 ( 0.000 0.000 0.000) 0.000 1.738 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 0.000) 0.000 2.183 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.412 ( 0.000 0.000 0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.974 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.574 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 3.953 ( 0.000 0.000 0.000) 0.000 4.139 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.765 ( 0.000 0.000 0.000) 0.000 4.779 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 4.990 ( 0.000 0.000 0.000) 0.000 5.186 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 0.000 0.000) 0.000 5.690 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 6.148 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.532 ( 0.000 0.000 0.000) 0.000 6.556 ( 0.000 0.000 0.000) 0.000 6.601 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 7.040 ( 0.000 0.000 0.000) 0.000 7.145 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.357 ( 0.000 0.000 0.000) 0.000 7.424 ( 0.000 0.000 0.000) 0.000 7.595 ( 0.000 0.000 0.000) 0.000 7.727 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 7.773 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.389 ( 0.000 0.000 0.000) 0.000 8.435 ( 0.000 0.000 0.000) 0.000 8.488 ( 0.000 0.000 0.000) 0.000 8.647 ( 0.000 0.000 0.000) 0.000 8.825 ( 0.000 0.000 0.000) 0.000 8.846 ( 0.000 0.000 0.000) 0.000 9.308 ( 0.000 0.000 0.000) 0.000 9.951 ( 0.000 0.000 0.000) 0.000 9.978 ( 0.000 0.000 0.000) 0.000 10.218 ( 0.000 0.000 0.000) 0.000 10.381 ( 0.000 0.000 0.000) 0.000 11.092 ( 0.000 0.000 0.000) 0.000 11.262 ( 0.000 0.000 0.000) 0.000 11.428 ( 0.000 0.000 0.000) 0.000 11.563 ( 0.000 0.000 0.000) 0.000 11.616 ( 0.000 0.000 0.000) 0.000 11.666 ( 0.000 0.000 0.000) 0.000 11.727 ( 0.000 0.000 0.000) 0.000 12.071 ( 0.000 0.000 0.000) 0.000 12.229 ( 0.000 0.000 0.000) 0.000 12.463 ( 0.000 0.000 0.000) 0.000 13.564 ( 0.000 0.000 0.000) 0.000 13.630 ( 0.000 0.000 0.000) 0.000 14.601 ( 0.000 0.000 0.000) 0.000 14.812 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 18.678 0.000 -0.491) 18.684 0.475 ( 24.771 0.000 3.411) 25.005 0.981 ( 49.287 0.000 1.113) 49.300 1.446 ( -0.013 0.000 1.243) 1.243 1.654 ( 2.170 0.000 0.329) 2.194 1.816 ( -9.903 0.000 3.329) 10.447 1.867 ( 7.869 0.000 -1.407) 7.994 1.964 ( 12.893 0.000 7.996) 15.171 2.137 ( -6.807 0.000 -4.541) 8.182 2.318 ( 0.437 0.000 -7.412) 7.425 2.373 ( 8.830 0.000 1.749) 9.001 2.386 ( -0.223 0.000 -10.698) 10.700 2.499 ( -2.816 0.000 -4.911) 5.661 2.741 ( -4.296 0.000 -0.060) 4.296 2.745 ( 7.756 0.000 3.696) 8.592 2.991 ( -1.666 0.000 4.046) 4.375 3.047 ( -7.000 0.000 2.940) 7.592 3.167 ( 3.955 0.000 -3.759) 5.456 3.374 ( 0.118 0.000 -2.897) 2.899 3.651 ( 5.682 0.000 -7.075) 9.074 3.772 ( -1.595 0.000 5.474) 5.702 3.789 ( -8.251 0.000 -1.715) 8.427 3.903 ( 1.281 0.000 0.742) 1.481 3.926 ( -4.793 0.000 -7.431) 8.843 4.142 ( -2.090 0.000 -2.466) 3.232 4.254 ( 2.200 0.000 2.560) 3.376 4.362 ( 0.662 0.000 -1.066) 1.255 4.596 ( -4.272 0.000 -0.887) 4.363 4.638 ( -5.354 0.000 -1.109) 5.468 4.685 ( 0.647 0.000 -0.873) 1.086 4.769 ( 2.755 0.000 -1.470) 3.123 4.814 ( 3.914 0.000 2.574) 4.684 5.009 ( -7.414 0.000 -1.109) 7.496 5.014 ( 2.155 0.000 -0.747) 2.281 5.163 ( -2.228 0.000 4.318) 4.859 5.261 ( -4.093 0.000 -0.209) 4.099 5.480 ( 0.286 0.000 5.536) 5.543 5.558 ( -0.388 0.000 -2.026) 2.063 5.707 ( 1.427 0.000 2.224) 2.642 5.770 ( 1.412 0.000 -3.664) 3.927 5.834 ( 2.023 0.000 3.970) 4.455 5.874 ( 1.936 0.000 -3.190) 3.732 6.126 ( -2.835 0.000 3.022) 4.144 6.392 ( -1.993 0.000 2.723) 3.374 6.521 ( -0.550 0.000 -3.670) 3.711 6.564 ( -4.278 0.000 7.076) 8.269 6.792 ( 2.230 0.000 1.631) 2.763 6.870 ( -0.991 0.000 -15.611) 15.642 7.135 ( -0.880 0.000 -0.485) 1.004 7.181 ( -0.717 0.000 0.354) 0.800 7.334 ( -0.302 0.000 -9.960) 9.965 7.415 ( -0.859 0.000 -1.401) 1.643 7.499 ( -7.241 0.000 2.697) 7.727 7.717 ( 2.005 0.000 30.500) 30.566 7.740 ( 1.681 0.000 -3.520) 3.901 7.759 ( -1.510 0.000 1.845) 2.384 7.864 ( 6.072 0.000 13.056) 14.399 8.257 ( 3.059 0.000 0.994) 3.216 8.315 ( -4.027 0.000 3.700) 5.468 8.374 ( -1.458 0.000 1.163) 1.865 8.451 ( 0.892 0.000 -3.057) 3.185 8.726 ( 6.603 0.000 3.266) 7.367 8.837 ( 4.045 0.000 2.224) 4.616 8.852 ( 2.627 0.000 -2.494) 3.622 9.296 ( -1.262 0.000 0.819) 1.504 9.306 ( -1.295 0.000 -22.518) 22.555 9.928 ( -1.653 0.000 1.813) 2.453 9.998 ( 1.356 0.000 -1.582) 2.083 10.216 ( -0.067 0.000 -0.872) 0.874 10.484 ( 3.503 0.000 -3.129) 4.697 11.083 ( -1.021 0.000 1.096) 1.497 11.253 ( -2.181 0.000 -5.501) 5.918 11.414 ( -2.449 0.000 -1.349) 2.796 11.567 ( 0.398 0.000 -0.115) 0.414 11.629 ( -6.723 0.000 0.371) 6.733 11.660 ( -0.612 0.000 0.085) 0.617 11.989 ( -2.692 0.000 5.448) 6.077 12.172 ( 1.981 0.000 -5.379) 5.732 12.485 ( 12.096 0.000 20.570) 23.863 13.488 ( -5.795 0.000 -7.267) 9.295 13.713 ( 6.709 0.000 3.931) 7.776 14.344 ( -1.822 0.000 -45.406) 45.443 14.635 ( -2.772 0.000 34.357) 34.469 14.811 ( -0.219 0.000 -1.236) 1.255 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 16.618 0.000 -0.684) 16.632 0.935 ( 23.286 0.000 3.866) 23.604 1.452 ( 0.557 0.000 1.401) 1.508 1.624 ( 3.180 0.000 1.268) 3.424 1.632 ( -9.057 0.000 4.599) 10.157 1.841 ( 28.491 0.000 -1.407) 28.525 1.960 ( 3.596 0.000 5.219) 6.338 1.978 ( -9.023 0.000 -4.579) 10.118 2.148 ( -2.985 0.000 -8.773) 9.267 2.355 ( -7.586 0.000 -5.450) 9.341 2.376 ( 13.076 0.000 3.170) 13.455 2.512 ( 9.815 0.000 -2.367) 10.096 2.593 ( 10.096 0.000 5.109) 11.315 2.689 ( 2.719 0.000 2.600) 3.762 2.910 ( 8.481 0.000 2.117) 8.741 2.946 ( -2.268 0.000 2.804) 3.607 2.979 ( -0.401 0.000 1.315) 1.375 3.274 ( 7.697 0.000 -1.209) 7.791 3.357 ( -1.395 0.000 -5.398) 5.575 3.617 ( -9.667 0.000 1.533) 9.787 3.711 ( -0.010 0.000 -5.662) 5.662 3.746 ( -0.394 0.000 3.295) 3.318 3.809 ( -6.095 0.000 -5.380) 8.130 3.896 ( -3.054 0.000 2.708) 4.082 4.078 ( -4.773 0.000 -2.845) 5.556 4.252 ( -3.799 0.000 -3.233) 4.989 4.392 ( 3.127 0.000 -0.197) 3.133 4.492 ( -6.841 0.000 0.343) 6.850 4.542 ( -1.414 0.000 0.409) 1.472 4.697 ( 0.732 0.000 -1.215) 1.418 4.831 ( -0.493 0.000 -0.797) 0.937 4.856 ( -6.730 0.000 -5.047) 8.412 4.876 ( 1.604 0.000 -0.415) 1.657 5.061 ( 2.739 0.000 -0.416) 2.770 5.125 ( -1.493 0.000 5.757) 5.948 5.197 ( -0.437 0.000 -1.876) 1.926 5.460 ( -2.432 0.000 7.498) 7.883 5.561 ( 0.880 0.000 -1.468) 1.711 5.737 ( 1.529 0.000 2.213) 2.690 5.810 ( 0.299 0.000 -3.915) 3.927 5.855 ( 1.783 0.000 0.242) 1.799 5.909 ( 1.524 0.000 -3.823) 4.116 6.075 ( -2.370 0.000 5.137) 5.657 6.338 ( -3.456 0.000 2.195) 4.094 6.454 ( -6.738 0.000 6.758) 9.543 6.520 ( 0.575 0.000 -3.022) 3.076 6.828 ( 0.958 0.000 1.945) 2.168 6.840 ( -1.728 0.000 -9.240) 9.401 7.125 ( 0.167 0.000 -0.561) 0.585 7.140 ( -2.238 0.000 -0.202) 2.247 7.324 ( -2.168 0.000 0.980) 2.379 7.395 ( -1.044 0.000 -2.434) 2.648 7.397 ( -2.182 0.000 -0.633) 2.272 7.722 ( -2.284 0.000 2.759) 3.582 7.767 ( 1.913 0.000 8.627) 8.837 7.809 ( 5.639 0.000 6.438) 8.559 7.997 ( 6.779 0.000 1.828) 7.021 8.238 ( -3.202 0.000 1.434) 3.508 8.297 ( 0.093 0.000 2.354) 2.356 8.344 ( -1.449 0.000 1.118) 1.830 8.471 ( 1.306 0.000 -7.369) 7.484 8.844 ( 5.013 0.000 2.059) 5.419 8.910 ( 3.309 0.000 -3.110) 4.541 8.923 ( 3.723 0.000 0.898) 3.830 9.265 ( -1.918 0.000 1.310) 2.323 9.280 ( -0.031 0.000 -7.812) 7.812 9.899 ( -1.321 0.000 1.397) 1.922 10.020 ( 0.944 0.000 -1.101) 1.450 10.218 ( 0.336 0.000 -1.068) 1.120 10.581 ( 6.818 0.000 -3.735) 7.774 11.045 ( -3.684 0.000 3.120) 4.828 11.192 ( -3.987 0.000 -1.577) 4.287 11.315 ( -6.043 0.000 -1.224) 6.166 11.557 ( -1.368 0.000 -1.433) 1.981 11.578 ( 0.710 0.000 -0.194) 0.736 11.644 ( -0.970 0.000 0.157) 0.982 11.916 ( -3.573 0.000 3.866) 5.264 12.256 ( 5.107 0.000 -3.888) 6.418 12.727 ( 12.052 0.000 15.515) 19.646 13.350 ( -8.162 0.000 -8.520) 11.799 13.853 ( 7.152 0.000 -0.426) 7.165 14.283 ( -2.779 0.000 -13.810) 14.087 14.591 ( -2.504 0.000 11.934) 12.193 14.796 ( -1.294 0.000 -1.257) 1.804 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 9.644 0.000 -0.604) 9.663 1.339 ( 18.083 0.000 3.642) 18.446 1.428 ( -4.270 0.000 0.235) 4.277 1.526 ( -0.628 0.000 3.101) 3.164 1.586 ( -5.961 0.000 -1.105) 6.063 1.827 ( -5.296 0.000 -1.996) 5.660 1.927 ( -5.620 0.000 3.379) 6.558 2.082 ( 2.035 0.000 -10.870) 11.059 2.148 ( 2.743 0.000 6.190) 6.770 2.234 ( -3.731 0.000 -1.822) 4.152 2.522 ( -1.748 0.000 -6.035) 6.283 2.754 ( 5.320 0.000 1.313) 5.479 2.755 ( 14.721 0.000 5.251) 15.630 2.883 ( 10.360 0.000 3.026) 10.793 2.948 ( 2.604 0.000 0.213) 2.613 2.990 ( 0.506 0.000 1.125) 1.234 3.043 ( 4.595 0.000 1.879) 4.965 3.324 ( -1.524 0.000 -4.323) 4.584 3.432 ( 5.624 0.000 3.899) 6.843 3.466 ( -4.069 0.000 -0.770) 4.141 3.689 ( -0.914 0.000 5.639) 5.712 3.711 ( -4.038 0.000 -4.062) 5.728 3.731 ( -1.610 0.000 -10.807) 10.926 3.833 ( -1.900 0.000 5.772) 6.077 3.915 ( -9.009 0.000 -1.975) 9.223 4.193 ( -0.745 0.000 -1.564) 1.732 4.408 ( -2.561 0.000 0.519) 2.613 4.467 ( 3.852 0.000 1.066) 3.997 4.520 ( -1.445 0.000 -0.748) 1.627 4.692 ( -6.909 0.000 -2.312) 7.286 4.708 ( 0.324 0.000 -0.664) 0.739 4.811 ( -1.336 0.000 -1.123) 1.745 4.874 ( -0.749 0.000 -0.487) 0.894 5.105 ( 1.250 0.000 -2.285) 2.604 5.115 ( 0.088 0.000 4.594) 4.595 5.270 ( 5.592 0.000 -2.848) 6.275 5.411 ( -2.591 0.000 4.726) 5.390 5.584 ( 1.084 0.000 -0.331) 1.134 5.745 ( -4.030 0.000 0.584) 4.072 5.763 ( 0.889 0.000 0.987) 1.328 5.922 ( 0.116 0.000 -1.825) 1.829 5.930 ( 4.072 0.000 -4.531) 6.092 6.034 ( -2.390 0.000 4.891) 5.444 6.283 ( -1.822 0.000 0.729) 1.962 6.357 ( -2.925 0.000 2.416) 3.794 6.533 ( 0.551 0.000 -1.069) 1.202 6.806 ( -1.144 0.000 -2.352) 2.615 6.830 ( -0.356 0.000 0.883) 0.952 7.125 ( 0.292 0.000 -0.605) 0.672 7.138 ( 0.729 0.000 -0.071) 0.733 7.263 ( -2.582 0.000 0.692) 2.673 7.379 ( -0.435 0.000 -1.524) 1.585 7.393 ( 0.286 0.000 0.065) 0.293 7.686 ( -1.227 0.000 1.483) 1.925 7.798 ( 0.899 0.000 1.935) 2.133 7.918 ( 4.303 0.000 4.010) 5.882 8.088 ( 2.030 0.000 -1.338) 2.431 8.191 ( -1.167 0.000 0.521) 1.278 8.288 ( -0.683 0.000 1.948) 2.064 8.325 ( -0.550 0.000 0.413) 0.688 8.484 ( 0.257 0.000 -3.925) 3.934 8.914 ( 2.312 0.000 0.647) 2.401 8.952 ( -0.266 0.000 0.035) 0.268 8.960 ( 1.639 0.000 -1.517) 2.233 9.233 ( -1.095 0.000 0.785) 1.348 9.300 ( 1.361 0.000 -1.635) 2.127 9.882 ( -0.502 0.000 0.520) 0.723 10.031 ( 0.332 0.000 -0.385) 0.508 10.225 ( 0.290 0.000 -0.466) 0.549 10.734 ( 9.238 0.000 -4.338) 10.206 10.920 ( -9.186 0.000 4.752) 10.343 11.133 ( -1.483 0.000 -0.689) 1.635 11.242 ( -1.660 0.000 -0.985) 1.931 11.540 ( -0.523 0.000 -0.596) 0.793 11.592 ( 0.633 0.000 -0.159) 0.653 11.626 ( -0.746 0.000 0.143) 0.760 11.876 ( -0.894 0.000 1.563) 1.801 12.329 ( 2.238 0.000 -1.678) 2.798 12.936 ( 8.566 0.000 11.456) 14.305 13.190 ( -7.426 0.000 -8.773) 11.494 13.951 ( 2.671 0.000 -1.374) 3.004 14.244 ( -0.750 0.000 -2.292) 2.412 14.560 ( -0.953 0.000 2.981) 3.129 14.770 ( -1.037 0.000 -0.509) 1.155 ======================= Grid point 7 (5/88) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 0.000 18.865 0.000) 18.865 0.401 ( 0.000 21.107 0.000) 21.107 0.900 ( 0.000 41.342 0.000) 41.342 1.630 ( 0.000 16.475 0.000) 16.475 1.634 ( 0.000 4.116 0.000) 4.116 1.710 ( 0.000 -2.634 0.000) 2.634 1.872 ( 0.000 -1.132 0.000) 1.132 2.009 ( 0.000 5.398 0.000) 5.398 2.203 ( 0.000 3.580 0.000) 3.580 2.290 ( 0.000 3.962 0.000) 3.962 2.372 ( 0.000 -3.564 0.000) 3.564 2.518 ( 0.000 7.508 0.000) 7.508 2.601 ( 0.000 7.277 0.000) 7.277 2.716 ( 0.000 -4.829 0.000) 4.829 2.767 ( 0.000 0.149 0.000) 0.149 2.981 ( 0.000 1.027 0.000) 1.027 3.011 ( 0.000 0.942 0.000) 0.942 3.155 ( 0.000 -0.562 0.000) 0.562 3.369 ( 0.000 0.431 0.000) 0.431 3.566 ( 0.000 -2.179 0.000) 2.179 3.710 ( 0.000 -3.353 0.000) 3.353 3.842 ( 0.000 -2.759 0.000) 2.759 3.955 ( 0.000 -0.538 0.000) 0.538 3.957 ( 0.000 5.822 0.000) 5.822 4.155 ( 0.000 0.567 0.000) 0.567 4.181 ( 0.000 -7.849 0.000) 7.849 4.245 ( 0.000 -9.441 0.000) 9.441 4.576 ( 0.000 -11.050 0.000) 11.050 4.623 ( 0.000 -1.868 0.000) 1.868 4.770 ( 0.000 1.669 0.000) 1.669 4.837 ( 0.000 7.774 0.000) 7.774 4.859 ( 0.000 1.833 0.000) 1.833 4.960 ( 0.000 4.653 0.000) 4.653 5.151 ( 0.000 -4.197 0.000) 4.197 5.231 ( 0.000 2.821 0.000) 2.821 5.316 ( 0.000 0.335 0.000) 0.335 5.463 ( 0.000 -6.584 0.000) 6.584 5.472 ( 0.000 0.157 0.000) 0.157 5.617 ( 0.000 1.683 0.000) 1.683 5.643 ( 0.000 -7.526 0.000) 7.526 5.784 ( 0.000 0.954 0.000) 0.954 6.079 ( 0.000 -6.784 0.000) 6.784 6.128 ( 0.000 -3.848 0.000) 3.848 6.339 ( 0.000 -5.670 0.000) 5.670 6.437 ( 0.000 -5.683 0.000) 5.683 6.618 ( 0.000 2.137 0.000) 2.137 6.747 ( 0.000 6.771 0.000) 6.771 6.924 ( 0.000 0.347 0.000) 0.347 6.988 ( 0.000 -2.976 0.000) 2.976 7.221 ( 0.000 5.353 0.000) 5.353 7.239 ( 0.000 4.847 0.000) 4.847 7.283 ( 0.000 -5.428 0.000) 5.428 7.515 ( 0.000 6.866 0.000) 6.866 7.622 ( 0.000 2.664 0.000) 2.664 7.742 ( 0.000 1.489 0.000) 1.489 7.750 ( 0.000 1.043 0.000) 1.043 7.989 ( 0.000 -1.858 0.000) 1.858 8.193 ( 0.000 -5.244 0.000) 5.244 8.240 ( 0.000 2.070 0.000) 2.070 8.394 ( 0.000 -1.371 0.000) 1.371 8.399 ( 0.000 -2.989 0.000) 2.989 8.494 ( 0.000 0.787 0.000) 0.787 8.642 ( 0.000 0.357 0.000) 0.357 8.829 ( 0.000 -1.735 0.000) 1.735 9.394 ( 0.000 8.459 0.000) 8.459 9.399 ( 0.000 7.992 0.000) 7.992 9.961 ( 0.000 1.525 0.000) 1.525 10.224 ( 0.000 0.620 0.000) 0.620 10.403 ( 0.000 2.249 0.000) 2.249 10.778 ( 0.000 1.748 0.000) 1.748 11.134 ( 0.000 4.335 0.000) 4.335 11.273 ( 0.000 0.991 0.000) 0.991 11.407 ( 0.000 -2.093 0.000) 2.093 11.613 ( 0.000 -0.194 0.000) 0.194 11.687 ( 0.000 1.919 0.000) 1.919 11.727 ( 0.000 -0.064 0.000) 0.064 12.043 ( 0.000 -2.937 0.000) 2.937 12.183 ( 0.000 -4.638 0.000) 4.638 12.502 ( 0.000 4.050 0.000) 4.050 13.469 ( 0.000 -9.268 0.000) 9.268 13.659 ( 0.000 3.043 0.000) 3.043 14.068 ( 0.000 0.295 0.000) 0.295 14.591 ( 0.000 -0.820 0.000) 0.820 14.790 ( 0.000 -2.207 0.000) 2.207 ======================= Grid point 8 (6/88) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 18.526 13.541 4.264) 23.340 0.836 ( 19.914 22.621 -0.064) 30.138 1.139 ( 31.267 21.086 -0.452) 37.715 1.636 ( 0.795 8.639 -2.962) 9.167 1.692 ( 3.409 11.116 5.950) 13.061 1.857 ( 3.829 1.108 -0.352) 4.002 1.920 ( 10.658 1.557 4.968) 11.861 1.967 ( -1.973 6.693 2.706) 7.484 2.181 ( -2.410 1.339 -3.641) 4.567 2.272 ( 0.216 1.505 -3.972) 4.253 2.320 ( -2.505 -3.001 -3.583) 5.303 2.515 ( -0.750 6.763 -2.138) 7.133 2.552 ( -0.180 5.390 -0.847) 5.459 2.704 ( -2.713 -1.562 0.427) 3.160 2.795 ( 6.537 2.868 -0.388) 7.148 2.967 ( -3.394 -0.906 1.401) 3.782 3.060 ( 0.024 0.006 3.539) 3.539 3.138 ( 1.978 0.397 -0.132) 2.022 3.368 ( -0.090 -1.085 -3.531) 3.695 3.647 ( 5.907 -1.993 -4.480) 7.677 3.679 ( -4.347 -3.393 -0.835) 5.577 3.819 ( -2.795 -3.608 1.815) 4.912 3.885 ( -2.184 1.365 -0.013) 2.575 3.954 ( -4.144 2.456 -2.300) 5.338 4.123 ( -2.070 -3.160 0.227) 3.784 4.213 ( -1.442 -6.756 1.401) 7.049 4.240 ( 3.645 -5.748 -3.510) 7.658 4.540 ( -3.879 -8.395 0.675) 9.273 4.592 ( -1.190 -3.210 -2.721) 4.373 4.750 ( -1.389 4.618 -0.178) 4.826 4.786 ( -4.012 4.303 -1.719) 6.129 4.871 ( 3.178 2.589 4.205) 5.873 5.032 ( 2.799 2.887 -2.496) 4.733 5.112 ( -4.786 -2.600 7.594) 9.345 5.129 ( -7.366 6.260 -5.299) 11.024 5.290 ( -2.758 2.006 0.688) 3.479 5.425 ( 0.090 -4.108 5.472) 6.843 5.467 ( 0.827 -6.594 -1.868) 6.903 5.648 ( 1.685 -6.608 0.758) 6.862 5.773 ( 6.326 -2.449 1.155) 6.881 5.804 ( 2.726 1.526 -3.524) 4.709 5.984 ( -5.681 3.542 -1.870) 6.951 6.075 ( -2.037 -4.677 2.448) 5.658 6.302 ( -0.659 -5.840 4.256) 7.257 6.427 ( -2.168 -5.513 -3.074) 6.675 6.596 ( -4.305 0.647 2.518) 5.029 6.782 ( 2.328 -1.581 -0.988) 2.982 6.896 ( -0.652 3.634 -3.501) 5.088 7.083 ( -0.608 -6.793 -4.894) 8.394 7.195 ( -3.392 2.558 0.462) 4.273 7.303 ( 2.013 -1.686 -0.741) 2.728 7.394 ( 5.068 -5.861 4.880) 9.157 7.529 ( 5.034 3.691 12.940) 14.367 7.563 ( -2.352 4.383 -4.248) 6.541 7.751 ( 1.371 1.059 -2.688) 3.198 7.860 ( 8.077 1.198 3.878) 9.039 7.876 ( -5.389 2.014 8.275) 10.079 8.248 ( 0.282 -0.952 2.029) 2.259 8.289 ( 1.277 -1.701 -0.470) 2.178 8.398 ( 0.977 0.974 -2.093) 2.507 8.416 ( 1.627 -4.000 -1.961) 4.743 8.564 ( 6.305 -6.281 -4.362) 9.911 8.709 ( 5.720 -1.811 3.069) 6.739 8.901 ( 7.735 -4.020 -5.743) 10.439 9.336 ( -3.120 10.190 -2.789) 11.015 9.448 ( 1.862 9.016 0.661) 9.230 9.951 ( -0.902 1.234 0.478) 1.601 10.158 ( -7.709 3.153 5.948) 10.235 10.388 ( -2.573 9.256 -4.369) 10.554 10.573 ( -6.881 10.043 -2.877) 12.510 11.067 ( -2.385 0.233 0.108) 2.399 11.253 ( -2.507 0.169 -2.643) 3.647 11.393 ( -2.209 -1.790 0.129) 2.846 11.621 ( -6.839 -0.703 0.642) 6.905 11.641 ( 0.975 3.277 1.121) 3.598 11.685 ( -0.237 2.189 -0.316) 2.224 12.068 ( -1.504 3.413 -2.478) 4.478 12.161 ( -1.445 -0.594 -4.733) 4.984 12.488 ( 7.771 1.065 17.942) 19.582 13.400 ( -5.903 -8.896 -7.682) 13.153 13.738 ( 6.886 2.757 2.854) 7.948 14.231 ( 6.040 -7.080 -21.862) 23.761 14.597 ( -0.284 -1.687 16.694) 16.781 14.790 ( -0.125 -2.092 -0.667) 2.199 ======================= Grid point 9 (7/88) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 19.991 9.600 6.140) 23.011 1.094 ( 12.360 27.864 -2.989) 30.628 1.615 ( 4.407 0.808 3.545) 5.713 1.645 ( 1.720 14.816 -0.752) 14.935 1.760 ( -6.925 11.387 1.753) 13.442 1.916 ( 19.278 8.417 3.260) 21.286 1.952 ( 3.525 -0.621 5.567) 6.619 2.047 ( -8.773 6.338 -3.840) 11.484 2.133 ( -2.284 -0.520 -11.139) 11.382 2.343 ( 11.153 -2.541 0.562) 11.452 2.400 ( -0.326 3.437 -3.819) 5.149 2.513 ( 13.888 -0.176 3.224) 14.258 2.582 ( -0.149 0.341 -1.501) 1.547 2.736 ( 7.313 4.966 6.749) 11.122 2.902 ( -0.984 -1.839 2.244) 3.064 2.955 ( 7.308 3.224 1.049) 8.056 3.044 ( 0.343 4.080 0.627) 4.142 3.215 ( 5.223 -3.195 -1.146) 6.229 3.361 ( -0.127 -0.897 -5.240) 5.317 3.554 ( -7.845 -3.488 -0.160) 8.586 3.715 ( 0.241 -2.886 -1.214) 3.141 3.750 ( -3.594 0.036 -1.728) 3.988 3.816 ( -6.629 0.103 -1.915) 6.901 3.867 ( -2.448 -1.404 2.748) 3.939 4.081 ( -4.217 0.397 -2.254) 4.798 4.192 ( -0.581 -7.077 -0.780) 7.143 4.298 ( 2.710 -6.078 -2.432) 7.085 4.469 ( -2.960 -5.966 0.458) 6.676 4.518 ( -6.042 -0.954 -0.554) 6.142 4.716 ( -0.602 0.423 -2.794) 2.889 4.762 ( -0.930 -1.356 -3.414) 3.789 4.896 ( -3.780 4.573 1.291) 6.072 4.998 ( -1.982 6.891 0.913) 7.228 5.034 ( -3.197 -5.684 1.021) 6.600 5.072 ( -0.149 0.687 1.267) 1.449 5.253 ( 1.044 3.299 -1.231) 3.672 5.433 ( 0.136 -4.132 6.401) 7.620 5.482 ( 0.300 -4.946 -0.179) 4.958 5.678 ( 1.214 -6.143 0.912) 6.328 5.799 ( -1.274 -1.690 -0.396) 2.153 5.902 ( 4.397 0.168 -3.587) 5.677 5.933 ( 0.239 3.738 -3.084) 4.851 6.049 ( -0.550 -1.712 4.335) 4.693 6.291 ( -1.176 -4.707 3.567) 6.022 6.381 ( -2.151 -5.404 -0.443) 5.833 6.485 ( -6.381 -1.589 1.329) 6.709 6.816 ( 0.823 -1.778 0.729) 2.091 6.886 ( -0.358 2.720 -3.809) 4.694 7.043 ( -2.263 -6.958 -2.869) 7.859 7.106 ( -4.896 -0.777 0.951) 5.048 7.319 ( -0.794 -1.215 2.592) 2.971 7.368 ( -2.262 -0.380 -0.279) 2.310 7.548 ( 0.942 9.380 -4.690) 10.529 7.677 ( 4.955 -0.569 8.678) 10.009 7.807 ( 5.048 0.441 -2.643) 5.716 7.814 ( -1.770 2.248 9.486) 9.909 8.013 ( 7.053 1.762 0.340) 7.278 8.234 ( -1.325 -0.084 2.676) 2.987 8.271 ( -2.095 -0.749 1.410) 2.634 8.400 ( -0.496 1.900 0.698) 2.084 8.468 ( 3.049 -0.074 -7.168) 7.790 8.666 ( 4.647 -9.047 -3.703) 10.823 8.798 ( 3.012 -4.179 3.602) 6.286 9.073 ( 8.906 -6.933 -4.776) 12.256 9.274 ( -3.165 13.540 -2.203) 14.079 9.461 ( -0.405 13.281 1.374) 13.358 9.933 ( -0.868 1.286 0.245) 1.570 10.017 ( -5.135 1.973 4.245) 6.948 10.350 ( -0.616 10.990 -3.412) 11.524 10.598 ( 5.910 1.862 -3.663) 7.198 11.029 ( -2.575 -0.922 1.807) 3.278 11.181 ( -5.239 -0.683 0.196) 5.287 11.294 ( -6.091 -2.059 -0.579) 6.456 11.560 ( -0.470 0.350 -0.801) 0.992 11.648 ( 0.032 3.931 0.854) 4.023 11.680 ( -0.220 3.417 -0.772) 3.510 11.961 ( -5.492 5.210 0.556) 7.591 12.230 ( 4.934 -2.646 -3.573) 6.642 12.691 ( 10.662 -3.637 15.165) 18.891 13.265 ( -7.538 -8.419 -8.946) 14.412 13.880 ( 7.044 2.716 -0.348) 7.557 14.255 ( -0.700 -2.513 -10.695) 11.009 14.586 ( -1.195 -0.220 9.730) 9.806 14.780 ( -0.925 -1.638 -0.900) 2.086 ======================= Grid point 10 (8/88) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 7.956 25.690 0.760) 26.905 1.385 ( 16.047 4.921 2.064) 16.910 1.600 ( -4.488 1.807 -1.072) 4.955 1.619 ( -5.507 11.578 1.753) 12.940 1.674 ( 0.453 18.465 0.907) 18.493 1.895 ( -5.157 6.141 -0.828) 8.062 1.931 ( -5.008 0.910 3.811) 6.359 2.093 ( 2.007 1.553 -10.950) 11.240 2.126 ( 2.248 -1.342 5.384) 5.987 2.306 ( -2.640 6.669 -1.030) 7.246 2.481 ( -1.845 -3.009 -6.082) 7.032 2.729 ( 7.777 -2.698 5.355) 9.820 2.816 ( 12.244 4.270 -1.071) 13.012 2.870 ( 2.571 -1.096 7.043) 7.577 2.927 ( 8.262 1.245 -1.392) 8.471 3.062 ( 0.883 5.796 0.879) 5.928 3.098 ( 5.196 4.993 1.625) 7.387 3.273 ( -0.253 -4.017 -2.730) 4.864 3.412 ( 2.165 -2.606 2.703) 4.335 3.426 ( -1.296 -3.391 -2.793) 4.581 3.665 ( -2.225 -2.706 3.691) 5.089 3.699 ( -3.801 -2.361 -4.652) 6.454 3.715 ( -2.785 -0.522 -3.804) 4.743 3.836 ( -0.584 0.329 2.927) 3.002 3.934 ( -8.220 2.318 -1.884) 8.746 4.182 ( -0.048 -1.426 -0.367) 1.473 4.340 ( -0.116 -7.870 -0.098) 7.872 4.426 ( 0.072 -4.793 1.223) 4.947 4.469 ( 1.252 -3.853 -1.505) 4.322 4.638 ( -8.027 -5.152 -3.050) 10.014 4.751 ( 1.307 3.548 -1.551) 4.086 4.800 ( -3.525 4.023 -0.313) 5.358 4.981 ( -0.891 4.781 1.407) 5.063 5.003 ( -0.255 -6.852 1.643) 7.051 5.080 ( 0.613 -2.607 -0.049) 2.679 5.331 ( 5.058 3.757 -2.162) 6.662 5.424 ( -1.386 0.406 4.682) 4.899 5.487 ( 0.362 -7.708 -0.689) 7.747 5.691 ( -0.014 -6.516 0.462) 6.532 5.746 ( -2.814 -0.376 0.325) 2.858 5.927 ( 0.384 0.260 -1.610) 1.676 5.980 ( 1.985 -1.211 -2.514) 3.424 6.054 ( 0.554 5.986 2.592) 6.547 6.267 ( -0.893 -1.494 0.809) 1.920 6.338 ( -2.270 -2.204 2.873) 4.274 6.408 ( -1.226 -8.660 -1.888) 8.947 6.815 ( -0.506 -1.440 1.008) 1.829 6.878 ( -0.268 4.215 -1.093) 4.363 7.010 ( -1.058 -8.257 -1.724) 8.501 7.046 ( -1.249 -6.121 0.662) 6.282 7.300 ( -0.605 0.968 0.427) 1.219 7.336 ( -1.142 -0.546 0.748) 1.470 7.578 ( 1.670 11.287 -2.902) 11.773 7.704 ( -0.815 2.933 2.126) 3.713 7.812 ( 0.585 0.924 3.133) 3.318 7.910 ( 4.008 -0.457 1.694) 4.375 8.110 ( 2.740 1.928 -1.637) 3.729 8.214 ( -0.467 -0.118 2.845) 2.886 8.232 ( -1.734 0.012 -0.126) 1.739 8.391 ( -0.273 2.483 0.471) 2.542 8.502 ( 0.776 1.867 -3.522) 4.061 8.736 ( 2.376 -8.926 -2.183) 9.491 8.829 ( 0.372 -6.645 2.133) 6.989 9.182 ( 1.563 -7.717 -2.825) 8.365 9.239 ( 0.434 15.294 0.399) 15.305 9.449 ( -0.545 16.170 0.905) 16.205 9.922 ( -0.321 2.732 0.076) 2.752 9.968 ( -0.879 -3.324 1.277) 3.667 10.347 ( 0.091 9.972 -1.044) 10.027 10.744 ( 9.129 1.042 -4.426) 10.199 10.925 ( -8.786 0.692 4.664) 9.971 11.098 ( -1.975 -2.778 -0.416) 3.434 11.225 ( -1.475 -1.751 -0.743) 2.407 11.556 ( -0.161 1.656 -0.405) 1.712 11.648 ( 0.014 2.878 0.397) 2.906 11.677 ( -0.103 4.910 -0.534) 4.940 11.894 ( -1.579 3.178 0.732) 3.624 12.300 ( 2.110 -3.012 -1.573) 3.999 12.867 ( 6.379 -7.083 10.089) 13.880 13.129 ( -5.450 -6.033 -7.650) 11.163 13.974 ( 2.479 2.353 -1.194) 3.620 14.241 ( -0.179 -0.402 -1.949) 1.998 14.570 ( -0.560 1.073 2.671) 2.932 14.760 ( -0.801 -0.998 -0.388) 1.337 ======================= Grid point 14 (9/88) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 0.000 18.116 0.000) 18.116 0.792 ( 0.000 19.751 0.000) 19.751 1.335 ( 0.000 4.110 0.000) 4.110 1.587 ( 0.000 -8.273 0.000) 8.273 1.865 ( 0.000 2.691 0.000) 2.691 1.905 ( 0.000 7.531 0.000) 7.531 1.957 ( 0.000 22.556 0.000) 22.556 2.116 ( 0.000 8.096 0.000) 8.096 2.300 ( 0.000 -2.477 0.000) 2.477 2.371 ( 0.000 12.353 0.000) 12.353 2.375 ( 0.000 4.190 0.000) 4.190 2.607 ( 0.000 -1.829 0.000) 1.829 2.707 ( 0.000 9.559 0.000) 9.559 2.759 ( 0.000 8.420 0.000) 8.420 2.782 ( 0.000 1.123 0.000) 1.123 3.022 ( 0.000 3.158 0.000) 3.158 3.049 ( 0.000 3.025 0.000) 3.025 3.135 ( 0.000 -1.500 0.000) 1.500 3.369 ( 0.000 -0.541 0.000) 0.541 3.480 ( 0.000 -7.040 0.000) 7.040 3.613 ( 0.000 -5.311 0.000) 5.311 3.870 ( 0.000 -10.413 0.000) 10.413 3.889 ( 0.000 5.099 0.000) 5.099 3.962 ( 0.000 -9.133 0.000) 9.133 4.054 ( 0.000 5.803 0.000) 5.803 4.128 ( 0.000 -2.050 0.000) 2.050 4.192 ( 0.000 1.600 0.000) 1.600 4.362 ( 0.000 -10.229 0.000) 10.229 4.653 ( 0.000 4.794 0.000) 4.794 4.786 ( 0.000 -0.362 0.000) 0.362 4.885 ( 0.000 1.066 0.000) 1.066 4.929 ( 0.000 0.958 0.000) 0.958 4.983 ( 0.000 -14.200 0.000) 14.200 5.048 ( 0.000 4.253 0.000) 4.253 5.263 ( 0.000 -5.841 0.000) 5.841 5.276 ( 0.000 -3.550 0.000) 3.550 5.399 ( 0.000 -3.608 0.000) 3.608 5.409 ( 0.000 0.927 0.000) 0.927 5.531 ( 0.000 -1.084 0.000) 1.084 5.643 ( 0.000 1.221 0.000) 1.221 5.772 ( 0.000 -2.549 0.000) 2.549 5.917 ( 0.000 -9.679 0.000) 9.679 6.095 ( 0.000 2.946 0.000) 2.946 6.309 ( 0.000 0.370 0.000) 0.370 6.339 ( 0.000 -4.390 0.000) 4.390 6.607 ( 0.000 -3.710 0.000) 3.710 6.812 ( 0.000 1.670 0.000) 1.670 6.943 ( 0.000 -2.337 0.000) 2.337 7.001 ( 0.000 6.565 0.000) 6.565 7.196 ( 0.000 -2.693 0.000) 2.693 7.303 ( 0.000 2.543 0.000) 2.543 7.308 ( 0.000 1.884 0.000) 1.884 7.640 ( 0.000 5.778 0.000) 5.778 7.686 ( 0.000 3.754 0.000) 3.754 7.775 ( 0.000 1.791 0.000) 1.791 7.777 ( 0.000 1.628 0.000) 1.628 7.956 ( 0.000 -1.398 0.000) 1.398 8.090 ( 0.000 -5.387 0.000) 5.387 8.234 ( 0.000 -2.394 0.000) 2.394 8.332 ( 0.000 -4.415 0.000) 4.415 8.390 ( 0.000 2.449 0.000) 2.449 8.506 ( 0.000 0.091 0.000) 0.091 8.669 ( 0.000 2.192 0.000) 2.192 8.787 ( 0.000 -2.387 0.000) 2.387 9.554 ( 0.000 7.318 0.000) 7.318 9.573 ( 0.000 8.392 0.000) 8.392 10.035 ( 0.000 6.839 0.000) 6.839 10.239 ( 0.000 0.850 0.000) 0.850 10.467 ( 0.000 4.804 0.000) 4.804 10.817 ( 0.000 1.560 0.000) 1.560 11.233 ( 0.000 4.032 0.000) 4.032 11.287 ( 0.000 0.100 0.000) 0.100 11.370 ( 0.000 0.386 0.000) 0.386 11.611 ( 0.000 0.107 0.000) 0.107 11.721 ( 0.000 -0.658 0.000) 0.658 11.725 ( 0.000 1.730 0.000) 1.730 11.961 ( 0.000 -5.389 0.000) 5.389 12.068 ( 0.000 -7.002 0.000) 7.002 12.612 ( 0.000 7.453 0.000) 7.453 13.249 ( 0.000 -13.051 0.000) 13.051 13.742 ( 0.000 5.513 0.000) 5.513 14.051 ( 0.000 -2.412 0.000) 2.412 14.581 ( 0.000 0.087 0.000) 0.087 14.733 ( 0.000 -3.646 0.000) 3.646 ======================= Grid point 15 (10/88) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 11.903 16.652 3.734) 20.807 1.110 ( 30.740 12.096 0.800) 33.044 1.466 ( 9.332 3.971 -3.348) 10.680 1.706 ( 12.864 -3.324 9.314) 16.226 1.881 ( 1.909 1.892 1.560) 3.108 1.913 ( 1.813 12.113 -8.394) 14.848 2.076 ( 9.191 8.331 3.420) 12.868 2.134 ( 3.010 10.462 5.922) 12.393 2.239 ( -6.934 3.590 -3.835) 8.700 2.287 ( -3.011 6.512 -1.659) 7.364 2.369 ( -3.162 5.338 -0.283) 6.210 2.561 ( -4.252 0.350 1.087) 4.403 2.681 ( -1.181 5.591 -4.220) 7.104 2.761 ( 4.049 9.132 3.890) 10.720 2.850 ( 3.023 3.584 -1.750) 5.004 2.989 ( -1.559 3.658 -2.536) 4.716 3.101 ( 2.881 4.580 2.560) 5.985 3.155 ( 0.962 0.117 2.408) 2.596 3.328 ( -1.349 -2.888 -4.958) 5.894 3.558 ( 5.269 -7.703 -1.952) 9.535 3.618 ( 0.181 -5.087 1.240) 5.239 3.771 ( -8.070 0.722 1.860) 8.313 3.866 ( -1.187 -7.352 -4.002) 8.455 3.942 ( -4.435 -5.308 1.220) 7.024 4.036 ( -1.247 2.895 -1.772) 3.616 4.130 ( -1.446 -2.567 -2.023) 3.573 4.194 ( 1.451 1.271 0.742) 2.067 4.338 ( -1.856 -9.872 1.097) 10.104 4.615 ( -3.308 3.685 -2.244) 5.437 4.784 ( -0.777 -0.042 -0.051) 0.780 4.845 ( -4.055 1.028 -0.896) 4.278 4.915 ( -0.876 1.357 0.857) 1.829 4.951 ( -3.411 -12.418 2.006) 13.033 5.098 ( 4.067 2.930 -0.766) 5.071 5.240 ( -1.947 -5.496 5.584) 8.074 5.302 ( -2.994 5.167 -2.468) 6.461 5.363 ( -1.309 -4.189 0.322) 4.400 5.391 ( 0.212 0.832 0.264) 0.898 5.479 ( -0.026 -6.869 -0.774) 6.913 5.733 ( 3.917 -1.973 1.086) 4.518 5.782 ( 1.628 -3.484 -1.113) 4.003 5.921 ( 0.260 -7.674 2.821) 8.181 6.078 ( -0.628 5.536 -3.630) 6.650 6.263 ( -2.821 0.213 3.995) 4.895 6.337 ( -0.984 -3.675 -2.414) 4.506 6.579 ( -4.020 -3.300 0.859) 5.271 6.765 ( -1.470 0.408 -0.221) 1.541 6.928 ( -2.171 -3.778 -2.592) 5.070 7.017 ( -1.145 3.500 1.320) 3.912 7.219 ( -0.659 -0.598 2.010) 2.198 7.272 ( -0.943 -0.174 -0.753) 1.219 7.352 ( 2.225 -0.953 0.119) 2.423 7.605 ( -0.083 4.434 3.986) 5.963 7.687 ( 1.374 5.921 -0.190) 6.081 7.774 ( 0.883 1.397 -1.772) 2.423 7.856 ( 1.624 -0.608 4.028) 4.385 7.941 ( 4.971 4.196 0.695) 6.542 8.206 ( 5.039 -2.963 -3.150) 6.641 8.252 ( 2.401 -3.103 0.623) 3.973 8.309 ( -0.915 -5.688 1.856) 6.053 8.419 ( 2.892 1.631 -3.055) 4.512 8.517 ( 1.284 -0.836 0.824) 1.740 8.702 ( 2.854 1.055 -0.838) 3.157 8.827 ( 4.101 -3.406 -3.220) 6.228 9.549 ( 0.124 10.118 -0.744) 10.146 9.610 ( 3.002 6.949 -1.043) 7.642 10.016 ( -1.847 6.144 2.001) 6.721 10.200 ( -4.579 1.734 4.513) 6.659 10.497 ( 3.186 5.346 -2.648) 6.763 10.744 ( -6.733 6.349 -1.613) 9.394 11.115 ( -7.298 4.462 0.678) 8.581 11.249 ( -3.622 -0.859 -2.234) 4.341 11.351 ( -1.885 -2.345 1.762) 3.487 11.583 ( -6.787 -3.533 2.842) 8.162 11.695 ( 3.094 2.848 1.166) 4.364 11.727 ( -0.395 2.365 -0.020) 2.398 12.049 ( 5.754 -3.456 -4.388) 8.020 12.127 ( 2.978 -4.306 -0.712) 5.283 12.558 ( -1.933 6.494 7.178) 9.871 13.185 ( -5.699 -12.902 -6.831) 15.672 13.815 ( 6.649 5.166 1.391) 8.534 14.129 ( 5.686 -4.499 -7.434) 10.385 14.584 ( 0.223 0.303 6.570) 6.581 14.736 ( 0.247 -3.415 -0.142) 3.426 ======================= Grid point 16 (11/88) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 16.162 11.300 4.840) 20.306 1.528 ( 9.027 10.534 -3.016) 14.196 1.634 ( 10.079 4.664 2.996) 11.503 1.911 ( 2.176 12.050 -3.278) 12.676 1.929 ( 4.665 -0.528 9.347) 10.459 2.016 ( 4.010 2.794 2.138) 5.335 2.038 ( -6.445 11.091 -4.144) 13.480 2.174 ( -1.168 5.682 -4.618) 7.414 2.236 ( -3.066 10.658 -4.942) 12.141 2.296 ( 9.174 -0.941 0.912) 9.267 2.430 ( 11.676 -3.681 7.793) 14.513 2.506 ( -0.341 2.310 2.393) 3.344 2.711 ( 6.956 13.586 -6.285) 16.507 2.866 ( 5.885 8.598 8.030) 13.155 2.897 ( 0.325 1.881 0.742) 2.049 2.992 ( 4.611 1.115 -3.691) 6.011 3.118 ( 2.052 4.141 0.638) 4.665 3.214 ( 3.844 1.696 0.593) 4.244 3.317 ( -0.601 -3.408 -6.302) 7.189 3.552 ( -7.933 3.501 -0.911) 8.719 3.627 ( 0.380 -6.685 -1.969) 6.980 3.655 ( -2.273 -8.321 3.083) 9.160 3.808 ( -6.208 -1.078 -0.792) 6.351 3.855 ( -2.179 -3.102 1.386) 4.036 4.042 ( 2.830 -5.486 -2.052) 6.505 4.071 ( -3.961 -2.181 -3.081) 5.471 4.217 ( -0.773 -0.089 0.272) 0.824 4.310 ( -0.266 -8.530 1.544) 8.672 4.521 ( -7.113 1.349 -3.877) 8.213 4.713 ( -6.966 0.034 -1.725) 7.176 4.785 ( -0.197 1.530 -3.180) 3.534 4.866 ( -4.901 -11.068 3.471) 12.593 4.924 ( 0.722 -1.569 1.611) 2.362 5.136 ( -3.007 4.727 -0.525) 5.627 5.159 ( -4.516 7.016 0.181) 8.346 5.269 ( -0.252 -8.204 3.112) 8.778 5.308 ( 1.595 0.832 -0.814) 1.974 5.440 ( 0.440 -1.263 4.586) 4.777 5.528 ( 3.931 -7.452 -2.644) 8.830 5.750 ( -0.648 -3.393 -0.395) 3.477 5.839 ( 3.325 -4.987 -0.688) 6.033 5.922 ( -0.242 -4.521 2.058) 4.973 6.103 ( 3.172 6.057 -1.751) 7.058 6.229 ( -0.787 -0.910 1.759) 2.131 6.308 ( -1.566 -2.416 -1.725) 3.357 6.459 ( -7.895 -1.806 2.656) 8.523 6.761 ( 0.244 -2.980 -0.046) 2.990 6.883 ( -1.873 -5.846 -2.755) 6.728 6.963 ( -3.618 2.368 1.379) 4.538 7.121 ( -7.017 1.022 -0.670) 7.123 7.283 ( 0.595 -1.535 1.704) 2.370 7.351 ( -1.484 -1.643 1.586) 2.724 7.674 ( 4.721 3.949 -2.429) 6.617 7.736 ( 3.665 4.561 3.237) 6.687 7.825 ( 3.758 1.889 3.729) 5.621 7.867 ( 0.569 3.297 -0.389) 3.368 8.062 ( 5.733 3.393 -0.877) 6.719 8.232 ( -2.732 -1.211 5.055) 5.872 8.253 ( 1.491 -0.732 -0.104) 1.664 8.360 ( 2.951 -4.712 -2.942) 6.290 8.488 ( 4.105 1.168 -3.617) 5.594 8.555 ( 2.563 -3.269 -1.341) 4.365 8.745 ( 1.067 -0.740 1.494) 1.980 8.925 ( 5.627 -6.658 -4.336) 9.736 9.556 ( 0.416 13.567 -1.126) 13.620 9.671 ( 3.113 7.333 -1.220) 8.059 9.979 ( -1.923 4.457 2.569) 5.492 10.077 ( -7.378 3.654 5.905) 10.132 10.563 ( 1.865 10.327 -3.347) 11.014 10.659 ( 1.066 4.934 -3.299) 6.030 11.031 ( -2.447 1.256 0.797) 2.864 11.166 ( -6.292 -1.264 1.888) 6.690 11.245 ( -6.393 -2.619 0.115) 6.910 11.543 ( 1.352 -3.369 0.820) 3.721 11.715 ( -0.642 2.503 -0.579) 2.648 11.723 ( -0.090 2.731 2.569) 3.751 12.083 ( -3.381 5.216 -4.886) 7.906 12.166 ( 4.032 -3.439 -2.473) 5.849 12.613 ( 5.365 -3.038 11.962) 13.457 13.063 ( -5.944 -12.014 -8.466) 15.854 13.951 ( 6.604 4.588 -0.307) 8.047 14.201 ( 2.231 -3.131 -5.677) 6.856 14.594 ( 0.387 1.109 5.878) 5.994 14.738 ( -0.101 -2.677 -0.183) 2.685 ======================= Grid point 17 (12/88) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 12.363 5.608 3.805) 14.099 1.591 ( 0.098 2.626 0.336) 2.649 1.777 ( 3.669 15.787 -2.595) 16.414 1.856 ( -7.058 11.384 0.998) 13.431 1.937 ( 2.658 6.158 -6.187) 9.125 1.994 ( -2.577 2.976 0.830) 4.023 2.031 ( -1.344 9.665 11.933) 15.415 2.144 ( 0.518 4.895 0.888) 5.002 2.182 ( -1.032 8.323 -8.384) 11.859 2.432 ( 1.865 4.251 -2.354) 5.205 2.467 ( -1.640 3.395 -2.241) 4.387 2.633 ( 5.769 -6.921 4.978) 10.294 2.843 ( 0.053 3.196 -0.229) 3.204 2.959 ( 2.799 5.807 1.670) 6.659 3.004 ( 13.572 7.808 3.377) 16.018 3.141 ( 5.815 -0.777 -0.661) 5.903 3.195 ( 4.319 4.192 1.073) 6.114 3.230 ( -2.107 -0.068 -3.062) 3.718 3.346 ( 4.174 -2.606 -2.284) 5.425 3.409 ( -4.840 4.125 0.171) 6.362 3.579 ( -2.793 -6.535 3.292) 7.832 3.633 ( -1.715 -4.077 -2.266) 4.970 3.709 ( -3.443 -0.321 -1.003) 3.601 3.831 ( -0.318 -2.010 0.771) 2.176 3.992 ( -2.641 2.282 -1.507) 3.802 4.118 ( 2.957 -7.279 -2.157) 8.148 4.164 ( -4.192 -3.910 2.767) 6.365 4.316 ( -0.190 -5.157 0.755) 5.215 4.413 ( 0.360 -1.843 -3.576) 4.039 4.553 ( -9.438 -3.136 -1.595) 10.073 4.793 ( -0.395 -8.958 -0.668) 8.991 4.808 ( 0.086 -0.736 0.442) 0.863 4.905 ( -2.516 2.048 0.547) 3.290 5.056 ( -1.437 3.905 1.614) 4.463 5.123 ( -1.089 6.525 -0.587) 6.641 5.271 ( 0.146 -13.678 1.170) 13.729 5.373 ( 2.826 0.241 -0.833) 2.956 5.439 ( -0.232 -1.962 1.904) 2.744 5.570 ( 0.654 -2.922 -0.048) 2.995 5.736 ( -0.433 -0.445 -0.497) 0.795 5.890 ( 1.502 -5.194 -0.452) 5.425 5.921 ( 0.159 -3.353 0.219) 3.363 6.169 ( 3.400 2.558 0.736) 4.318 6.230 ( 0.049 -1.149 -0.794) 1.397 6.285 ( -0.632 -1.158 -0.782) 1.534 6.318 ( -5.697 -1.301 1.606) 6.061 6.765 ( 0.166 -3.898 0.674) 3.959 6.861 ( -0.436 -6.599 -1.185) 6.718 6.910 ( -1.577 0.227 0.686) 1.734 7.010 ( -3.687 1.358 -0.426) 3.953 7.291 ( 0.249 -0.950 0.357) 1.044 7.326 ( -0.873 -0.745 1.109) 1.596 7.749 ( 3.577 6.000 -5.947) 9.174 7.792 ( 0.594 4.113 1.463) 4.406 7.833 ( -1.057 2.133 7.073) 7.463 7.928 ( 3.194 2.934 -1.139) 4.484 8.142 ( 2.769 0.597 -3.263) 4.321 8.184 ( -2.142 -0.716 4.844) 5.344 8.277 ( 0.702 2.230 0.174) 2.344 8.390 ( 0.611 -2.171 -1.068) 2.495 8.543 ( 1.295 1.608 -0.940) 2.268 8.608 ( 2.526 -4.614 -2.967) 6.039 8.743 ( -0.862 -1.650 2.050) 2.770 9.004 ( 2.304 -8.742 -1.913) 9.241 9.559 ( -0.009 15.951 -0.453) 15.957 9.714 ( 1.270 9.086 -0.542) 9.190 9.954 ( -0.759 3.377 1.193) 3.661 9.975 ( -2.847 2.268 2.494) 4.412 10.560 ( -0.363 12.026 -1.103) 12.082 10.776 ( 8.925 2.322 -4.550) 10.284 10.952 ( -8.522 2.278 4.680) 9.986 11.049 ( -2.226 -2.152 -0.031) 3.097 11.182 ( -1.238 -2.493 -0.568) 2.841 11.574 ( 1.091 -2.301 0.090) 2.548 11.700 ( -0.653 0.030 -0.092) 0.660 11.717 ( -0.310 3.870 1.188) 4.060 12.024 ( -1.696 8.457 -1.947) 8.843 12.222 ( 1.571 -4.756 -1.131) 5.135 12.700 ( 2.473 -8.729 6.622) 11.232 12.977 ( -2.384 -9.606 -4.945) 11.063 14.037 ( 2.225 4.125 -0.820) 4.758 14.227 ( 0.869 -1.200 -1.301) 1.972 14.601 ( 0.147 2.065 1.936) 2.834 14.734 ( -0.244 -1.767 -0.074) 1.786 ======================= Grid point 21 (13/88) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.000 15.388 0.000) 15.388 1.133 ( 0.000 15.870 0.000) 15.870 1.267 ( 0.000 -9.004 0.000) 9.004 1.392 ( 0.000 -11.856 0.000) 11.856 1.915 ( 0.000 2.801 0.000) 2.801 1.947 ( 0.000 -0.306 0.000) 0.306 2.183 ( 0.000 0.790 0.000) 0.790 2.183 ( 0.000 -0.906 0.000) 0.906 2.361 ( 0.000 6.426 0.000) 6.426 2.422 ( 0.000 0.068 0.000) 0.068 2.598 ( 0.000 9.573 0.000) 9.573 2.679 ( 0.000 2.958 0.000) 2.958 2.855 ( 0.000 9.442 0.000) 9.442 2.871 ( 0.000 6.430 0.000) 6.430 2.887 ( 0.000 3.689 0.000) 3.689 3.049 ( 0.000 -4.953 0.000) 4.953 3.114 ( 0.000 3.814 0.000) 3.814 3.127 ( 0.000 3.954 0.000) 3.954 3.302 ( 0.000 -8.579 0.000) 8.579 3.325 ( 0.000 -5.369 0.000) 5.369 3.596 ( 0.000 2.517 0.000) 2.517 3.674 ( 0.000 -6.814 0.000) 6.814 3.845 ( 0.000 -3.181 0.000) 3.181 3.868 ( 0.000 -4.478 0.000) 4.478 4.138 ( 0.000 2.447 0.000) 2.447 4.209 ( 0.000 -5.352 0.000) 5.352 4.283 ( 0.000 15.231 0.000) 15.231 4.296 ( 0.000 8.450 0.000) 8.450 4.673 ( 0.000 -14.150 0.000) 14.150 4.719 ( 0.000 -9.555 0.000) 9.555 4.759 ( 0.000 5.063 0.000) 5.063 4.868 ( 0.000 -7.704 0.000) 7.704 4.910 ( 0.000 1.874 0.000) 1.874 4.973 ( 0.000 -6.547 0.000) 6.547 5.176 ( 0.000 2.424 0.000) 2.424 5.223 ( 0.000 -2.351 0.000) 2.351 5.437 ( 0.000 1.357 0.000) 1.357 5.443 ( 0.000 1.615 0.000) 1.615 5.568 ( 0.000 5.855 0.000) 5.855 5.669 ( 0.000 1.397 0.000) 1.397 5.717 ( 0.000 -2.720 0.000) 2.720 5.731 ( 0.000 -9.278 0.000) 9.278 6.202 ( 0.000 5.885 0.000) 5.885 6.273 ( 0.000 -2.791 0.000) 2.791 6.340 ( 0.000 4.161 0.000) 4.161 6.481 ( 0.000 -8.718 0.000) 8.718 6.848 ( 0.000 2.262 0.000) 2.262 6.894 ( 0.000 -2.568 0.000) 2.568 7.125 ( 0.000 5.615 0.000) 5.615 7.180 ( 0.000 -0.316 0.000) 0.316 7.311 ( 0.000 -0.896 0.000) 0.896 7.312 ( 0.000 -0.848 0.000) 0.848 7.729 ( 0.000 3.412 0.000) 3.412 7.747 ( 0.000 1.851 0.000) 1.851 7.799 ( 0.000 0.558 0.000) 0.558 7.800 ( 0.000 0.540 0.000) 0.540 7.944 ( 0.000 0.637 0.000) 0.637 7.995 ( 0.000 -4.355 0.000) 4.355 8.210 ( 0.000 0.514 0.000) 0.514 8.251 ( 0.000 -3.566 0.000) 3.566 8.448 ( 0.000 2.963 0.000) 2.963 8.492 ( 0.000 -1.581 0.000) 1.581 8.711 ( 0.000 1.968 0.000) 1.968 8.746 ( 0.000 -1.923 0.000) 1.923 9.654 ( 0.000 3.044 0.000) 3.044 9.668 ( 0.000 1.757 0.000) 1.757 10.181 ( 0.000 6.308 0.000) 6.308 10.244 ( 0.000 -0.884 0.000) 0.884 10.607 ( 0.000 10.018 0.000) 10.018 10.785 ( 0.000 -6.271 0.000) 6.271 11.238 ( 0.000 -0.133 0.000) 0.133 11.267 ( 0.000 -2.109 0.000) 2.109 11.491 ( 0.000 9.311 0.000) 9.311 11.610 ( 0.000 -1.457 0.000) 1.457 11.702 ( 0.000 -1.005 0.000) 1.005 11.719 ( 0.000 -2.897 0.000) 2.897 11.887 ( 0.000 -0.379 0.000) 0.379 11.944 ( 0.000 -5.387 0.000) 5.387 12.781 ( 0.000 10.289 0.000) 10.289 13.000 ( 0.000 -12.674 0.000) 12.674 13.859 ( 0.000 6.554 0.000) 6.554 13.976 ( 0.000 -5.355 0.000) 5.355 14.602 ( 0.000 2.222 0.000) 2.222 14.661 ( 0.000 -3.714 0.000) 3.714 ======================= Grid point 22 (14/88) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 7.820 13.916 2.545) 16.165 1.339 ( 26.007 11.762 1.794) 28.600 1.417 ( 6.967 -7.074 -1.322) 10.016 1.553 ( 20.838 -10.418 6.443) 24.172 1.939 ( 2.864 3.791 -0.937) 4.842 1.995 ( 4.476 -1.180 -6.566) 8.034 2.157 ( -1.899 0.119 -0.858) 2.088 2.182 ( 0.323 -1.212 4.113) 4.300 2.356 ( -1.818 6.428 1.889) 6.942 2.418 ( -1.371 0.648 1.033) 1.835 2.496 ( -6.172 7.963 1.800) 10.234 2.582 ( -6.581 -0.965 1.019) 6.729 2.857 ( 1.808 13.277 -0.568) 13.412 2.937 ( 3.564 6.107 -2.302) 7.436 2.956 ( 4.823 6.314 1.638) 8.112 3.061 ( 1.377 -2.102 -1.650) 3.006 3.143 ( 1.660 3.662 0.408) 4.041 3.194 ( 5.513 3.991 -1.070) 6.889 3.275 ( -2.970 -3.262 -3.895) 5.884 3.354 ( 4.475 -11.054 -2.489) 12.183 3.539 ( -4.499 -1.137 6.286) 7.814 3.659 ( -2.075 -11.055 -2.105) 11.443 3.794 ( -3.747 2.205 -1.131) 4.493 3.859 ( -2.340 -4.218 -1.776) 5.140 4.121 ( -2.652 1.641 0.583) 3.173 4.154 ( -5.183 -0.494 -1.760) 5.496 4.258 ( -0.591 9.896 0.377) 9.921 4.301 ( -0.076 7.500 -0.255) 7.505 4.633 ( -5.784 -5.370 -1.727) 8.079 4.657 ( -1.638 -14.264 -1.310) 14.417 4.788 ( 0.928 1.627 1.116) 2.181 4.840 ( -0.778 -2.299 0.332) 2.450 4.930 ( -2.535 0.416 -0.284) 2.584 4.991 ( -0.091 -8.874 2.460) 9.209 5.198 ( 3.246 2.889 -0.420) 4.366 5.259 ( 4.765 -3.783 -2.099) 6.436 5.383 ( -3.839 2.646 1.062) 4.781 5.422 ( -2.923 -1.630 2.199) 4.004 5.519 ( -2.865 8.954 -0.110) 9.402 5.673 ( -1.515 -6.080 -0.270) 6.272 5.733 ( 3.106 0.043 1.091) 3.292 5.784 ( 3.130 -5.452 2.694) 6.840 6.206 ( 0.600 5.697 -2.785) 6.369 6.260 ( -1.569 -1.251 1.023) 2.253 6.318 ( -1.730 3.555 0.118) 3.955 6.459 ( -2.359 -8.593 0.347) 8.918 6.796 ( -3.898 2.437 -0.908) 4.686 6.850 ( -3.838 -3.400 -1.672) 5.393 7.114 ( -2.235 5.422 2.557) 6.398 7.198 ( -1.014 -2.630 2.963) 4.089 7.277 ( -1.240 1.325 -1.866) 2.603 7.320 ( -0.240 -2.401 -1.165) 2.680 7.688 ( -0.382 3.943 2.863) 4.888 7.738 ( -0.027 -0.738 1.746) 1.896 7.813 ( 2.534 2.463 -1.130) 3.710 7.844 ( 2.962 -0.811 0.394) 3.096 8.026 ( 7.794 4.679 -1.532) 9.219 8.125 ( 9.078 -5.625 -3.438) 11.219 8.205 ( -0.214 -0.098 0.984) 1.012 8.235 ( -1.448 -2.703 2.403) 3.896 8.458 ( 1.265 2.277 -0.369) 2.631 8.497 ( 0.585 -1.578 0.980) 1.948 8.734 ( 2.047 1.934 -1.891) 3.392 8.773 ( 2.589 -2.333 -2.265) 4.157 9.676 ( 2.214 3.413 -1.017) 4.193 9.692 ( 2.450 1.665 -1.396) 3.275 10.153 ( -2.951 6.232 2.777) 7.434 10.215 ( -3.214 -0.661 3.322) 4.669 10.633 ( 2.866 8.945 -2.537) 9.730 10.777 ( -0.685 -3.825 -2.254) 4.492 11.189 ( -5.474 2.361 0.942) 6.035 11.231 ( -4.709 -1.534 -2.174) 5.409 11.351 ( -6.459 4.546 4.866) 9.277 11.481 ( -8.487 -7.035 4.619) 11.952 11.753 ( 3.136 2.843 0.404) 4.252 11.768 ( 0.484 1.390 -0.118) 1.477 11.989 ( 6.925 -1.671 -2.698) 7.618 12.023 ( 7.376 -5.038 0.142) 8.933 12.720 ( -5.003 10.233 -0.726) 11.413 12.938 ( -5.426 -12.581 -4.662) 14.473 13.925 ( 5.991 6.144 0.104) 8.583 14.037 ( 5.329 -5.417 -2.177) 7.904 14.609 ( 0.684 2.341 2.625) 3.583 14.668 ( 0.652 -3.584 0.736) 3.716 ======================= Grid point 23 (15/88) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 10.640 9.403 4.151) 14.794 1.531 ( 5.567 -4.417 2.038) 7.393 1.785 ( 16.235 7.248 0.241) 17.781 1.890 ( 8.951 -3.687 4.182) 10.545 2.026 ( 3.089 1.305 -5.126) 6.126 2.042 ( -0.775 1.204 -7.298) 7.437 2.172 ( 1.936 3.544 -0.737) 4.105 2.232 ( 3.779 -0.531 1.217) 4.005 2.322 ( 2.937 0.478 4.340) 5.262 2.349 ( 1.135 -1.327 4.714) 5.027 2.458 ( 0.271 9.476 2.753) 9.871 2.532 ( 0.608 -0.199 3.569) 3.626 2.938 ( 6.858 7.547 -0.891) 10.236 2.975 ( 1.849 4.740 -3.973) 6.455 3.041 ( 2.902 5.360 3.999) 7.290 3.084 ( 1.353 10.037 -3.991) 10.886 3.179 ( 1.332 0.820 2.619) 3.051 3.203 ( -0.729 -4.345 -4.946) 6.624 3.284 ( 2.028 3.096 -5.896) 6.962 3.453 ( 0.184 -11.724 2.176) 11.925 3.486 ( 3.063 -2.043 2.553) 4.480 3.611 ( -2.489 -7.812 -2.251) 8.502 3.730 ( -1.743 0.221 0.658) 1.876 3.782 ( -5.065 -2.400 0.173) 5.608 4.036 ( -4.422 1.168 0.686) 4.625 4.047 ( -5.638 -0.633 -0.539) 5.699 4.271 ( 0.660 6.644 -2.938) 7.295 4.297 ( 0.371 6.491 0.326) 6.510 4.527 ( -5.962 -1.686 -3.703) 7.218 4.608 ( -3.692 -12.811 -0.832) 13.359 4.736 ( -7.975 3.419 1.090) 8.745 4.824 ( 0.081 0.039 0.036) 0.097 4.884 ( -0.348 -1.971 -1.027) 2.250 4.945 ( -3.359 -13.738 1.155) 14.190 5.263 ( -0.022 5.088 0.012) 5.088 5.309 ( -2.119 2.744 2.198) 4.105 5.334 ( -0.838 0.938 1.328) 1.829 5.373 ( -0.296 -4.400 1.600) 4.691 5.522 ( 4.357 5.942 -1.362) 7.493 5.659 ( 1.046 -6.665 -1.849) 6.995 5.781 ( 1.690 -0.207 1.650) 2.371 5.827 ( 1.125 -4.505 2.699) 5.371 6.204 ( -2.044 3.419 0.653) 4.036 6.229 ( -0.535 0.046 -0.750) 0.923 6.300 ( 0.175 2.552 -1.211) 2.830 6.392 ( -4.467 -5.240 0.783) 6.930 6.736 ( -2.185 0.532 -0.248) 2.262 6.779 ( -2.985 -4.029 -1.319) 5.185 7.038 ( -5.084 4.450 0.375) 6.767 7.109 ( -6.340 -2.501 -0.460) 6.831 7.280 ( 0.507 1.077 2.096) 2.411 7.312 ( -0.420 -2.114 2.464) 3.274 7.737 ( 4.375 2.813 -0.889) 5.277 7.771 ( 3.038 -0.457 -2.220) 3.790 7.877 ( 3.054 2.980 3.585) 5.573 7.910 ( 3.734 0.243 -0.045) 3.742 8.134 ( 2.468 3.714 -0.412) 4.478 8.187 ( -1.348 -2.357 3.238) 4.225 8.248 ( 3.729 -0.042 -0.040) 3.729 8.277 ( 5.754 -3.355 -2.784) 7.219 8.498 ( 2.916 0.547 -1.590) 3.366 8.518 ( 1.551 -1.355 0.783) 2.203 8.766 ( 1.048 2.421 -1.328) 2.954 8.826 ( 2.783 -4.000 -2.803) 5.622 9.729 ( 3.043 4.326 -1.845) 5.601 9.750 ( 3.298 1.594 -1.900) 4.127 10.081 ( -4.360 5.154 3.936) 7.815 10.129 ( -5.504 0.620 4.828) 7.348 10.711 ( 5.343 5.937 -4.119) 8.987 10.762 ( -0.686 2.502 -3.360) 4.245 11.071 ( -4.580 2.833 1.432) 5.572 11.128 ( -6.098 -2.698 2.280) 7.047 11.244 ( -5.133 4.490 2.276) 7.189 11.407 ( -0.744 -10.075 3.125) 10.574 11.762 ( -0.665 2.676 0.326) 2.777 11.779 ( 0.115 1.535 0.563) 1.639 12.095 ( 3.638 -0.641 -2.132) 4.265 12.125 ( 2.658 -2.543 -1.688) 4.047 12.646 ( -2.114 6.959 2.073) 7.563 12.834 ( -4.443 -11.695 -5.176) 13.539 14.045 ( 5.722 5.049 -0.773) 7.670 14.133 ( 4.285 -4.119 -2.360) 6.395 14.628 ( 1.062 2.487 2.848) 3.928 14.683 ( 0.770 -3.058 0.923) 3.286 ======================= Grid point 24 (16/88) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 5.717 3.191 2.490) 7.005 1.604 ( 1.730 -0.639 0.974) 2.086 1.961 ( 1.930 5.126 -1.008) 5.569 1.990 ( 2.653 4.234 1.337) 5.172 2.004 ( 0.314 0.827 -2.727) 2.867 2.020 ( 0.372 0.654 0.185) 0.775 2.144 ( -2.581 2.922 1.253) 4.095 2.180 ( -3.755 -0.994 -2.641) 4.697 2.430 ( 2.079 5.605 -0.003) 5.978 2.486 ( 4.677 -0.213 2.268) 5.203 2.499 ( 3.176 3.640 2.165) 5.293 2.566 ( 1.621 2.617 0.800) 3.181 3.009 ( 0.394 10.337 -0.332) 10.350 3.036 ( 1.633 4.567 2.248) 5.346 3.090 ( 3.620 0.405 -1.291) 3.865 3.133 ( 2.672 0.683 -2.973) 4.055 3.169 ( -2.462 -4.366 -1.163) 5.145 3.247 ( 4.900 -0.296 0.436) 4.929 3.356 ( 5.806 0.582 -3.696) 6.908 3.411 ( -0.982 -8.534 3.971) 9.464 3.537 ( -3.513 5.267 0.689) 6.369 3.571 ( 0.543 -1.414 -1.510) 2.139 3.697 ( -2.847 -0.839 -0.289) 2.982 3.728 ( -0.195 -5.821 1.265) 5.960 3.992 ( 1.678 -0.222 1.858) 2.513 4.018 ( 1.668 -3.063 0.574) 3.535 4.237 ( -3.508 9.027 -3.570) 10.321 4.334 ( 1.274 6.115 0.366) 6.257 4.386 ( -4.452 -1.597 -4.962) 6.855 4.488 ( -9.014 -7.705 1.709) 11.981 4.622 ( -1.951 1.335 0.617) 2.443 4.838 ( 1.139 -0.316 0.433) 1.259 4.879 ( -0.418 -3.658 -0.401) 3.704 4.899 ( -1.534 -16.973 -0.697) 17.057 5.220 ( -1.658 7.417 1.373) 7.723 5.257 ( -2.034 6.420 0.517) 6.754 5.336 ( 0.414 -4.036 0.125) 4.059 5.366 ( -1.070 -4.567 1.419) 4.901 5.615 ( 3.520 5.743 -0.824) 6.786 5.725 ( 4.789 -2.846 -2.628) 6.160 5.790 ( -1.334 -2.329 1.687) 3.170 5.837 ( 0.291 -4.780 1.324) 4.969 6.168 ( -0.794 0.358 1.167) 1.456 6.199 ( -2.634 -2.510 -0.091) 3.640 6.314 ( 0.470 1.961 -0.883) 2.201 6.324 ( -1.573 0.753 -0.219) 1.757 6.712 ( -0.495 -0.705 0.267) 0.902 6.749 ( -0.348 -4.360 -0.318) 4.385 6.956 ( -2.752 3.464 0.002) 4.424 7.011 ( -3.108 -1.689 -0.271) 3.547 7.288 ( 0.233 0.672 0.964) 1.198 7.307 ( -0.166 -1.139 1.163) 1.636 7.815 ( 3.077 1.508 -1.531) 3.753 7.824 ( 1.966 0.453 -3.561) 4.093 7.900 ( -0.531 4.165 4.529) 6.176 7.965 ( 1.427 -1.380 0.781) 2.133 8.148 ( -0.004 2.058 0.178) 2.066 8.187 ( 0.803 -0.617 1.170) 1.548 8.308 ( 1.680 1.396 -0.080) 2.185 8.343 ( 1.523 -2.296 -1.155) 2.988 8.545 ( 0.913 -0.592 0.218) 1.110 8.552 ( 2.043 -1.484 -1.325) 2.852 8.771 ( -0.184 3.801 -0.252) 3.814 8.865 ( 1.145 -6.021 -1.265) 6.258 9.776 ( 1.670 5.547 -1.418) 5.964 9.799 ( 1.567 1.681 -0.932) 2.480 10.010 ( -2.497 3.482 2.317) 4.871 10.045 ( -2.663 1.671 2.383) 3.945 10.751 ( -0.292 6.535 -1.539) 6.720 10.814 ( 4.624 0.018 -3.539) 5.823 11.020 ( -4.169 3.635 3.579) 6.588 11.030 ( -0.873 0.342 0.617) 1.123 11.176 ( -1.943 5.396 0.110) 5.736 11.405 ( -0.017 -13.689 1.206) 13.742 11.749 ( -0.499 3.574 0.113) 3.610 11.776 ( -0.167 1.373 0.283) 1.412 12.123 ( 0.147 1.203 -1.966) 2.310 12.146 ( 0.200 -2.498 -0.276) 2.521 12.632 ( -0.120 3.234 1.819) 3.712 12.781 ( -1.107 -10.405 -2.158) 10.684 14.120 ( 2.012 4.293 -0.628) 4.782 14.189 ( 1.615 -2.853 -0.803) 3.376 14.646 ( 0.520 2.587 1.105) 2.861 14.694 ( 0.324 -2.386 0.412) 2.443 ======================= Grid point 49 (17/88) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( -17.407 0.000 17.857) 24.937 0.407 ( -0.981 0.000 19.418) 19.442 0.874 ( 10.680 0.000 34.765) 36.369 1.511 ( 1.632 0.000 5.203) 5.453 1.532 ( -3.566 0.000 -4.929) 6.083 1.730 ( 2.012 0.000 -5.941) 6.273 1.914 ( 0.128 0.000 -2.383) 2.387 1.928 ( 7.978 0.000 7.203) 10.749 2.120 ( 5.886 0.000 -9.378) 11.072 2.232 ( -4.111 0.000 -0.595) 4.154 2.253 ( -14.673 0.000 -7.352) 16.412 2.374 ( 1.153 0.000 -1.674) 2.032 2.506 ( -8.761 0.000 0.993) 8.817 2.718 ( 5.124 0.000 2.553) 5.725 2.782 ( -4.689 0.000 -5.755) 7.424 3.000 ( 2.589 0.000 4.445) 5.144 3.108 ( 6.226 0.000 -5.631) 8.394 3.160 ( -0.093 0.000 11.513) 11.513 3.287 ( -5.449 0.000 -3.630) 6.547 3.640 ( -4.035 0.000 3.394) 5.273 3.820 ( -0.346 0.000 -3.377) 3.395 3.822 ( 2.007 0.000 4.366) 4.805 3.878 ( 1.112 0.000 -0.796) 1.367 4.001 ( -7.747 0.000 0.505) 7.764 4.304 ( -0.590 0.000 5.032) 5.066 4.314 ( -0.815 0.000 -3.370) 3.468 4.584 ( -0.615 0.000 -3.633) 3.685 4.605 ( -0.769 0.000 -6.683) 6.727 4.635 ( -10.162 0.000 -0.423) 10.171 4.715 ( -0.902 0.000 3.365) 3.484 4.754 ( -0.160 0.000 -0.650) 0.670 4.850 ( 7.029 0.000 -3.639) 7.915 4.897 ( 4.758 0.000 1.598) 5.020 4.949 ( -2.758 0.000 4.025) 4.879 5.187 ( 4.064 0.000 -0.602) 4.108 5.253 ( 2.051 0.000 -4.661) 5.092 5.454 ( 2.246 0.000 -0.319) 2.269 5.541 ( -1.922 0.000 -1.886) 2.692 5.583 ( 6.561 0.000 0.285) 6.568 5.734 ( 1.547 0.000 2.994) 3.369 5.802 ( -2.698 0.000 2.287) 3.536 5.907 ( -3.144 0.000 5.106) 5.996 6.133 ( 1.959 0.000 -2.234) 2.971 6.384 ( 2.419 0.000 -1.877) 3.062 6.470 ( -0.663 0.000 -3.679) 3.738 6.564 ( -4.050 0.000 2.374) 4.695 6.665 ( 3.154 0.000 2.699) 4.151 6.754 ( 2.358 0.000 -0.943) 2.540 7.073 ( -0.721 0.000 -0.064) 0.724 7.107 ( -0.452 0.000 -3.612) 3.641 7.196 ( 3.746 0.000 1.386) 3.994 7.424 ( -1.258 0.000 0.006) 1.258 7.585 ( -5.943 0.000 -1.360) 6.097 7.680 ( 5.541 0.000 1.012) 5.633 7.746 ( 1.868 0.000 -2.256) 2.929 7.838 ( 0.247 0.000 6.467) 6.472 8.111 ( 5.957 0.000 -5.260) 7.947 8.268 ( 13.334 0.000 3.226) 13.718 8.303 ( -5.482 0.000 3.019) 6.258 8.386 ( 1.236 0.000 -0.223) 1.256 8.466 ( -1.284 0.000 2.860) 3.135 8.677 ( 1.752 0.000 2.634) 3.163 8.738 ( 0.945 0.000 -3.005) 3.150 8.856 ( -2.684 0.000 2.635) 3.761 9.296 ( 0.884 0.000 -1.098) 1.410 9.533 ( -13.362 0.000 -0.040) 13.362 9.912 ( 1.372 0.000 -2.114) 2.520 10.018 ( -1.120 0.000 2.207) 2.476 10.140 ( 1.451 0.000 -5.131) 5.332 10.447 ( -4.015 0.000 4.158) 5.780 11.072 ( -0.051 0.000 -1.812) 1.813 11.416 ( -2.443 0.000 -1.054) 2.661 11.550 ( -11.170 0.000 0.471) 11.180 11.563 ( -0.131 0.000 0.006) 0.131 11.651 ( 0.128 0.000 -1.302) 1.308 11.720 ( 1.301 0.000 -0.452) 1.377 11.948 ( 8.037 0.000 -1.213) 8.128 12.159 ( 0.940 0.000 -2.403) 2.580 12.336 ( 13.990 0.000 4.140) 14.590 13.377 ( -9.169 0.000 -2.040) 9.394 13.599 ( 4.454 0.000 2.641) 5.178 13.808 ( -8.079 0.000 -1.248) 8.175 14.828 ( 0.199 0.000 1.397) 1.411 15.560 ( -0.053 0.000 -2.042) 2.043 ======================= Grid point 50 (18/88) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 22.941 0.000 -0.670) 22.950 0.542 ( 12.251 0.000 14.532) 19.007 1.347 ( 29.091 0.000 17.701) 34.053 1.531 ( 0.197 0.000 6.109) 6.112 1.532 ( 3.076 0.000 -4.692) 5.611 1.708 ( 1.030 0.000 -8.080) 8.145 1.848 ( -4.723 0.000 -2.317) 5.261 2.058 ( -9.032 0.000 -2.032) 9.258 2.116 ( 9.328 0.000 1.920) 9.523 2.243 ( 5.845 0.000 -0.518) 5.868 2.347 ( -7.533 0.000 -3.372) 8.253 2.366 ( 6.395 0.000 13.119) 14.595 2.374 ( 13.498 0.000 -4.609) 14.263 2.695 ( -2.999 0.000 -6.341) 7.014 2.825 ( 6.087 0.000 2.367) 6.531 3.043 ( 2.002 0.000 -3.624) 4.141 3.097 ( -8.316 0.000 1.905) 8.532 3.184 ( 0.313 0.000 12.296) 12.300 3.215 ( 0.513 0.000 -11.834) 11.845 3.587 ( -1.688 0.000 1.814) 2.477 3.763 ( -5.159 0.000 -5.910) 7.845 3.836 ( -7.535 0.000 2.042) 7.807 3.883 ( 2.334 0.000 2.842) 3.678 3.938 ( 4.692 0.000 3.204) 5.681 4.243 ( -4.926 0.000 7.252) 8.766 4.304 ( 0.382 0.000 -3.214) 3.237 4.425 ( -8.251 0.000 7.968) 11.470 4.564 ( -0.879 0.000 -1.675) 1.891 4.625 ( 1.195 0.000 -3.876) 4.056 4.695 ( -2.966 0.000 -1.602) 3.371 4.704 ( -0.526 0.000 2.533) 2.587 4.889 ( -3.964 0.000 -8.060) 8.982 4.904 ( -1.736 0.000 0.710) 1.875 4.991 ( 4.228 0.000 2.992) 5.179 5.244 ( 1.348 0.000 2.173) 2.558 5.261 ( -2.884 0.000 0.884) 3.016 5.508 ( 3.493 0.000 -3.689) 5.080 5.519 ( 0.083 0.000 -1.707) 1.709 5.735 ( -1.171 0.000 1.717) 2.079 5.765 ( 1.494 0.000 2.056) 2.541 5.794 ( 5.557 0.000 -5.983) 8.165 5.867 ( -1.022 0.000 3.735) 3.873 6.163 ( 0.705 0.000 -1.253) 1.438 6.430 ( 2.435 0.000 -1.705) 2.972 6.473 ( -5.207 0.000 1.533) 5.428 6.515 ( 4.960 0.000 -7.643) 9.111 6.679 ( -4.283 0.000 1.564) 4.559 6.813 ( 3.343 0.000 0.458) 3.374 7.071 ( 0.489 0.000 -4.846) 4.870 7.087 ( -1.179 0.000 -4.024) 4.193 7.306 ( 6.778 0.000 2.115) 7.100 7.386 ( -2.652 0.000 -1.075) 2.862 7.499 ( -3.682 0.000 1.160) 3.860 7.673 ( -3.631 0.000 -1.453) 3.911 7.769 ( 0.549 0.000 -0.825) 0.991 7.916 ( 5.464 0.000 5.708) 7.902 8.163 ( -3.135 0.000 1.929) 3.681 8.192 ( 2.871 0.000 -4.031) 4.949 8.398 ( -0.186 0.000 0.803) 0.825 8.446 ( -1.465 0.000 2.017) 2.493 8.530 ( 2.016 0.000 2.324) 3.077 8.651 ( 3.228 0.000 -2.976) 4.390 8.827 ( -0.215 0.000 0.385) 0.441 8.843 ( 4.659 0.000 -2.347) 5.217 9.255 ( -7.040 0.000 12.626) 14.456 9.301 ( -0.326 0.000 -0.360) 0.486 9.925 ( -0.177 0.000 -1.747) 1.756 10.008 ( 0.166 0.000 2.094) 2.101 10.186 ( 1.380 0.000 -3.812) 4.054 10.431 ( 2.428 0.000 0.723) 2.533 11.050 ( -1.087 0.000 -2.073) 2.341 11.293 ( -6.164 0.000 1.419) 6.326 11.449 ( -2.296 0.000 4.001) 4.613 11.564 ( 0.233 0.000 -0.147) 0.275 11.634 ( -7.936 0.000 0.061) 7.936 11.648 ( -0.401 0.000 -1.133) 1.202 12.040 ( -6.979 0.000 -5.198) 8.702 12.104 ( 6.424 0.000 3.167) 7.162 12.632 ( 13.514 0.000 -3.798) 14.038 13.335 ( -0.087 0.000 -1.553) 1.556 13.761 ( 1.377 0.000 -0.539) 1.479 13.834 ( 16.412 0.000 -4.547) 17.030 14.821 ( -0.949 0.000 1.288) 1.600 15.208 ( -24.979 0.000 12.453) 27.911 ======================= Grid point 51 (19/88) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 14.384 0.000 10.249) 17.662 0.939 ( 22.552 0.000 -5.647) 23.249 1.525 ( -1.101 0.000 5.066) 5.184 1.539 ( 0.433 0.000 -12.128) 12.135 1.646 ( 2.163 0.000 -16.717) 16.856 1.750 ( -5.904 0.000 4.700) 7.546 1.880 ( -8.691 0.000 -3.422) 9.341 1.981 ( 17.741 0.000 7.212) 19.151 2.127 ( -6.603 0.000 1.011) 6.680 2.224 ( -4.923 0.000 -5.878) 7.667 2.410 ( 17.922 0.000 5.047) 18.619 2.592 ( 8.478 0.000 7.178) 11.109 2.600 ( 9.227 0.000 -4.281) 10.172 2.787 ( 10.710 0.000 4.148) 11.485 2.937 ( 1.617 0.000 -3.188) 3.575 2.980 ( 1.520 0.000 1.416) 2.077 3.069 ( 1.171 0.000 5.122) 5.254 3.210 ( 5.477 0.000 0.940) 5.557 3.214 ( 0.324 0.000 -7.477) 7.484 3.544 ( -3.333 0.000 -3.509) 4.840 3.629 ( -8.097 0.000 -3.501) 8.821 3.725 ( -4.470 0.000 0.505) 4.499 3.892 ( -1.623 0.000 3.159) 3.552 4.009 ( 2.029 0.000 8.581) 8.818 4.138 ( -9.949 0.000 5.322) 11.283 4.253 ( -6.550 0.000 2.969) 7.192 4.354 ( 5.272 0.000 -2.538) 5.851 4.547 ( -1.312 0.000 -0.137) 1.319 4.593 ( -3.153 0.000 8.105) 8.697 4.697 ( -1.005 0.000 -9.490) 9.543 4.698 ( -0.144 0.000 1.632) 1.638 4.825 ( 0.295 0.000 0.230) 0.374 4.881 ( -0.813 0.000 -0.171) 0.831 5.055 ( 2.288 0.000 1.007) 2.499 5.180 ( -3.784 0.000 1.169) 3.961 5.239 ( -1.377 0.000 3.488) 3.750 5.543 ( 2.134 0.000 -0.507) 2.193 5.549 ( -0.757 0.000 -0.688) 1.023 5.702 ( 0.650 0.000 -3.181) 3.246 5.786 ( 0.476 0.000 1.974) 2.031 5.837 ( -1.132 0.000 -3.615) 3.788 5.877 ( 1.943 0.000 1.928) 2.737 6.157 ( -1.127 0.000 1.170) 1.624 6.372 ( -4.977 0.000 -0.053) 4.977 6.479 ( 2.561 0.000 0.130) 2.565 6.506 ( -9.085 0.000 -3.249) 9.648 6.627 ( 3.239 0.000 -5.063) 6.010 6.855 ( 0.368 0.000 0.586) 0.692 7.082 ( 1.499 0.000 -3.583) 3.883 7.089 ( 1.816 0.000 -3.967) 4.363 7.328 ( -3.108 0.000 -3.073) 4.371 7.393 ( -2.347 0.000 -0.198) 2.355 7.437 ( 0.962 0.000 7.746) 7.805 7.604 ( -2.993 0.000 -8.014) 8.555 7.764 ( -1.052 0.000 0.923) 1.400 8.017 ( 4.764 0.000 4.444) 6.515 8.115 ( -0.530 0.000 2.432) 2.489 8.284 ( 3.678 0.000 -2.278) 4.327 8.380 ( -1.496 0.000 1.952) 2.459 8.394 ( -3.735 0.000 1.913) 4.197 8.457 ( -3.219 0.000 12.664) 13.067 8.771 ( 5.604 0.000 -8.516) 10.194 8.850 ( 2.448 0.000 -2.183) 3.280 8.900 ( 1.904 0.000 -2.466) 3.116 9.274 ( 4.980 0.000 8.307) 9.686 9.285 ( -1.300 0.000 0.466) 1.381 9.907 ( -1.382 0.000 -0.753) 1.574 10.023 ( 1.113 0.000 1.403) 1.791 10.194 ( 0.229 0.000 -1.473) 1.491 10.518 ( 6.326 0.000 -1.773) 6.569 11.040 ( -0.337 0.000 -2.254) 2.280 11.215 ( -2.649 0.000 0.995) 2.829 11.330 ( -10.103 0.000 2.785) 10.480 11.544 ( -0.943 0.000 0.258) 0.978 11.572 ( 0.564 0.000 -0.349) 0.663 11.636 ( -0.744 0.000 -0.862) 1.139 11.916 ( -5.223 0.000 -3.909) 6.524 12.218 ( 4.640 0.000 0.436) 4.660 12.875 ( 12.501 0.000 -3.528) 12.989 13.295 ( -4.809 0.000 6.333) 7.952 13.824 ( 4.948 0.000 -2.304) 5.459 14.082 ( 9.404 0.000 -4.816) 10.566 14.793 ( -2.185 0.000 0.642) 2.277 14.820 ( -15.617 0.000 8.036) 17.563 ======================= Grid point 52 (20/88) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 9.703 0.000 8.707) 13.037 1.267 ( 8.987 0.000 -12.529) 15.419 1.484 ( -3.470 0.000 4.553) 5.724 1.531 ( -1.141 0.000 -8.288) 8.366 1.612 ( -8.099 0.000 4.804) 9.417 1.648 ( 1.810 0.000 -15.007) 15.116 1.781 ( -0.536 0.000 -2.126) 2.192 1.930 ( -7.083 0.000 -7.123) 10.045 2.173 ( 0.121 0.000 -3.661) 3.663 2.264 ( 8.619 0.000 7.916) 11.703 2.632 ( 8.071 0.000 8.122) 11.450 2.693 ( 1.124 0.000 -5.965) 6.070 2.801 ( -1.933 0.000 -2.075) 2.836 2.933 ( 0.710 0.000 -9.427) 9.454 2.948 ( 13.803 0.000 5.668) 14.921 3.035 ( -4.197 0.000 6.778) 7.973 3.062 ( 1.828 0.000 0.738) 1.972 3.251 ( 2.526 0.000 1.013) 2.721 3.362 ( -0.537 0.000 -4.171) 4.205 3.486 ( 0.387 0.000 -10.267) 10.275 3.512 ( -3.160 0.000 0.632) 3.223 3.710 ( 5.901 0.000 3.652) 6.940 3.844 ( -2.885 0.000 6.230) 6.865 3.919 ( -7.445 0.000 0.962) 7.507 4.026 ( -0.511 0.000 10.212) 10.225 4.201 ( -0.053 0.000 2.674) 2.674 4.467 ( 5.482 0.000 -0.967) 5.567 4.505 ( -3.107 0.000 -0.382) 3.131 4.521 ( -3.828 0.000 8.751) 9.551 4.681 ( 1.835 0.000 1.247) 2.218 4.700 ( 0.391 0.000 0.925) 1.004 4.855 ( 1.151 0.000 4.624) 4.765 4.870 ( -0.282 0.000 -0.458) 0.538 5.076 ( 0.078 0.000 -0.114) 0.139 5.177 ( 3.012 0.000 -4.413) 5.344 5.208 ( -2.165 0.000 2.828) 3.561 5.467 ( -6.797 0.000 0.191) 6.799 5.583 ( 1.682 0.000 0.125) 1.687 5.756 ( 0.855 0.000 -1.143) 1.427 5.781 ( -1.094 0.000 1.382) 1.763 5.792 ( 0.966 0.000 -6.600) 6.670 5.932 ( 3.335 0.000 2.602) 4.229 6.120 ( -2.993 0.000 2.084) 3.647 6.294 ( -2.998 0.000 -0.155) 3.002 6.331 ( -7.758 0.000 -3.765) 8.624 6.528 ( 2.467 0.000 0.829) 2.603 6.687 ( 3.176 0.000 -5.889) 6.691 6.831 ( -2.148 0.000 -0.890) 2.325 7.130 ( 2.157 0.000 -0.728) 2.277 7.130 ( 1.924 0.000 -1.698) 2.566 7.285 ( -0.358 0.000 -6.168) 6.178 7.312 ( -2.930 0.000 4.520) 5.387 7.459 ( -1.541 0.000 3.636) 3.949 7.556 ( -1.409 0.000 -12.054) 12.137 7.733 ( -2.128 0.000 2.147) 3.023 8.069 ( -0.753 0.000 2.740) 2.842 8.142 ( 3.350 0.000 0.930) 3.477 8.280 ( -2.887 0.000 6.193) 6.833 8.323 ( -3.716 0.000 3.019) 4.787 8.352 ( -1.343 0.000 1.993) 2.403 8.488 ( 4.775 0.000 5.472) 7.263 8.848 ( 2.940 0.000 -6.805) 7.413 8.906 ( 3.251 0.000 -3.120) 4.505 8.909 ( -0.472 0.000 -3.578) 3.609 9.256 ( -1.577 0.000 1.069) 1.905 9.370 ( 3.644 0.000 8.286) 9.052 9.881 ( -1.193 0.000 -0.528) 1.304 10.043 ( 0.851 0.000 1.309) 1.561 10.203 ( 0.690 0.000 -1.502) 1.653 10.661 ( 8.698 0.000 -2.351) 9.010 10.993 ( -6.480 0.000 1.104) 6.573 11.146 ( -3.516 0.000 2.135) 4.113 11.224 ( 0.656 0.000 -0.824) 1.053 11.544 ( 0.436 0.000 0.955) 1.050 11.584 ( 0.702 0.000 -0.512) 0.869 11.621 ( -0.742 0.000 -0.630) 0.974 11.835 ( -3.233 0.000 -4.610) 5.631 12.279 ( 1.991 0.000 -2.952) 3.560 13.040 ( -2.073 0.000 -4.298) 4.771 13.207 ( 2.160 0.000 12.649) 12.833 13.927 ( 5.367 0.000 -0.960) 5.452 14.202 ( 3.903 0.000 -1.813) 4.304 14.599 ( -7.945 0.000 0.645) 7.971 14.766 ( -0.686 0.000 0.062) 0.689 ======================= Grid point 53 (21/88) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -8.709 0.000 9.719) 13.050 1.201 ( -13.000 0.000 -9.996) 16.399 1.472 ( -1.580 0.000 -12.959) 13.055 1.475 ( 2.429 0.000 2.091) 3.205 1.496 ( -2.113 0.000 2.747) 3.465 1.734 ( 2.393 0.000 -14.187) 14.388 1.857 ( 8.037 0.000 0.754) 8.072 1.923 ( 7.528 0.000 -3.874) 8.466 2.222 ( 4.651 0.000 -3.902) 6.071 2.362 ( -0.616 0.000 10.612) 10.630 2.597 ( -15.918 0.000 -5.581) 16.868 2.655 ( -4.643 0.000 -5.338) 7.075 2.758 ( 0.015 0.000 6.251) 6.251 2.926 ( -1.540 0.000 -7.262) 7.424 2.934 ( -14.373 0.000 8.493) 16.695 2.974 ( -1.775 0.000 4.502) 4.839 3.036 ( -4.017 0.000 1.745) 4.380 3.255 ( 0.390 0.000 -6.918) 6.929 3.287 ( -0.708 0.000 -7.802) 7.834 3.453 ( -2.034 0.000 -2.183) 2.984 3.609 ( 9.538 0.000 -5.494) 11.008 3.801 ( -1.684 0.000 6.221) 6.445 3.806 ( 2.752 0.000 3.312) 4.306 4.008 ( -1.406 0.000 11.168) 11.256 4.009 ( 13.924 0.000 5.553) 14.991 4.291 ( 6.932 0.000 7.640) 10.316 4.431 ( -4.443 0.000 -1.705) 4.759 4.500 ( 2.008 0.000 8.190) 8.432 4.531 ( 1.114 0.000 0.275) 1.147 4.717 ( 1.200 0.000 0.868) 1.481 4.782 ( 7.177 0.000 6.391) 9.610 4.873 ( 0.540 0.000 -1.346) 1.450 4.878 ( 1.511 0.000 3.533) 3.843 5.068 ( -0.687 0.000 0.081) 0.692 5.152 ( -3.833 0.000 2.021) 4.333 5.213 ( -0.367 0.000 -7.507) 7.516 5.322 ( -7.050 0.000 -3.745) 7.983 5.600 ( 0.167 0.000 0.704) 0.724 5.749 ( -2.127 0.000 0.699) 2.239 5.751 ( 1.727 0.000 -0.227) 1.741 5.880 ( 5.488 0.000 -5.235) 7.585 5.990 ( 2.139 0.000 3.968) 4.507 6.041 ( -5.330 0.000 3.530) 6.393 6.239 ( -1.219 0.000 -7.571) 7.668 6.268 ( 0.369 0.000 -0.866) 0.941 6.568 ( 1.545 0.000 2.280) 2.754 6.761 ( 5.478 0.000 -4.208) 6.907 6.796 ( -1.186 0.000 -2.315) 2.601 7.119 ( -3.101 0.000 -3.722) 4.844 7.129 ( -1.475 0.000 -1.092) 1.836 7.327 ( 2.997 0.000 5.121) 5.934 7.328 ( 4.162 0.000 -5.371) 6.795 7.387 ( -4.533 0.000 -6.261) 7.730 7.539 ( 0.065 0.000 -2.888) 2.889 7.695 ( -1.696 0.000 1.831) 2.496 8.002 ( -5.707 0.000 2.278) 6.145 8.173 ( -2.848 0.000 0.723) 2.939 8.238 ( -0.890 0.000 4.608) 4.693 8.275 ( -0.099 0.000 4.718) 4.719 8.336 ( -0.381 0.000 1.362) 1.415 8.582 ( 4.011 0.000 4.564) 6.076 8.852 ( -2.514 0.000 -4.750) 5.374 8.907 ( 0.197 0.000 -3.986) 3.991 8.956 ( 1.699 0.000 -1.884) 2.537 9.233 ( -0.602 0.000 0.754) 0.965 9.409 ( 0.809 0.000 8.293) 8.332 9.865 ( -0.389 0.000 -0.847) 0.932 10.054 ( 0.226 0.000 1.474) 1.491 10.213 ( 0.387 0.000 -1.607) 1.653 10.818 ( -4.357 0.000 2.370) 4.960 10.838 ( 3.647 0.000 -2.159) 4.238 11.155 ( 3.259 0.000 0.992) 3.407 11.270 ( 3.562 0.000 1.542) 3.881 11.562 ( 1.517 0.000 1.240) 1.959 11.590 ( -0.264 0.000 -0.224) 0.346 11.615 ( 0.411 0.000 -0.901) 0.990 11.791 ( -0.933 0.000 -5.271) 5.353 12.290 ( -0.730 0.000 -5.924) 5.969 12.821 ( -15.347 0.000 1.341) 15.405 13.363 ( 8.439 0.000 7.126) 11.045 13.981 ( -1.745 0.000 1.283) 2.166 14.278 ( 6.265 0.000 -0.282) 6.271 14.493 ( -3.343 0.000 -2.284) 4.049 14.785 ( 2.646 0.000 0.706) 2.739 ======================= Grid point 54 (22/88) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -15.278 0.000 11.406) 19.067 0.891 ( -17.325 0.000 0.085) 17.325 1.444 ( -0.206 0.000 -0.414) 0.462 1.481 ( 2.838 0.000 -11.922) 12.255 1.614 ( 7.998 0.000 3.994) 8.940 1.730 ( -3.619 0.000 -14.935) 15.367 1.963 ( -24.128 0.000 8.418) 25.555 2.043 ( 9.689 0.000 0.801) 9.722 2.131 ( 1.432 0.000 -6.837) 6.985 2.300 ( -19.609 0.000 -1.140) 19.642 2.302 ( 2.245 0.000 -11.415) 11.634 2.551 ( -3.864 0.000 4.066) 5.609 2.650 ( -8.749 0.000 -1.607) 8.895 2.760 ( 2.289 0.000 17.222) 17.373 2.862 ( -5.221 0.000 -4.146) 6.667 2.959 ( -2.506 0.000 0.255) 2.519 2.973 ( -2.203 0.000 2.094) 3.039 3.248 ( -2.596 0.000 0.484) 2.641 3.289 ( 2.971 0.000 -9.926) 10.361 3.545 ( 10.196 0.000 -5.786) 11.723 3.708 ( -0.051 0.000 2.913) 2.913 3.811 ( 2.230 0.000 -0.587) 2.306 3.897 ( 6.723 0.000 3.122) 7.413 3.993 ( -1.335 0.000 10.398) 10.484 4.240 ( 7.087 0.000 8.575) 11.124 4.353 ( -2.784 0.000 -3.214) 4.252 4.398 ( 4.431 0.000 7.654) 8.844 4.533 ( 0.112 0.000 -0.324) 0.343 4.580 ( 4.858 0.000 7.884) 9.261 4.734 ( 0.431 0.000 2.427) 2.465 4.843 ( -1.357 0.000 0.762) 1.556 4.874 ( -0.956 0.000 -2.773) 2.933 4.935 ( 2.027 0.000 2.139) 2.946 5.053 ( -1.590 0.000 2.712) 3.143 5.086 ( -1.671 0.000 0.110) 1.674 5.158 ( -1.260 0.000 -6.613) 6.732 5.296 ( 4.081 0.000 -5.948) 7.213 5.597 ( -0.438 0.000 0.581) 0.728 5.713 ( -1.326 0.000 1.153) 1.757 5.763 ( -2.139 0.000 -5.684) 6.073 5.942 ( -4.399 0.000 3.028) 5.340 5.987 ( 5.507 0.000 0.369) 5.520 6.005 ( -0.797 0.000 4.862) 4.927 6.278 ( 5.329 0.000 -8.503) 10.034 6.296 ( 2.228 0.000 -1.847) 2.894 6.590 ( 0.875 0.000 3.590) 3.695 6.776 ( -1.232 0.000 -2.912) 3.161 6.893 ( 6.945 0.000 -2.876) 7.517 7.028 ( -5.370 0.000 -11.852) 13.012 7.105 ( -0.510 0.000 -2.543) 2.594 7.255 ( -6.099 0.000 -5.971) 8.535 7.399 ( 2.973 0.000 -2.211) 3.705 7.416 ( 3.144 0.000 4.133) 5.193 7.594 ( 6.670 0.000 5.698) 8.772 7.681 ( 0.394 0.000 -0.417) 0.574 7.877 ( -7.235 0.000 1.278) 7.347 8.063 ( -7.188 0.000 5.514) 9.059 8.229 ( -0.238 0.000 -0.780) 0.816 8.310 ( 2.214 0.000 4.492) 5.008 8.339 ( 0.653 0.000 0.581) 0.874 8.618 ( -0.923 0.000 5.404) 5.482 8.772 ( -5.518 0.000 -3.900) 6.757 8.873 ( -3.650 0.000 -3.166) 4.832 8.959 ( -1.370 0.000 1.002) 1.697 9.240 ( 1.237 0.000 -0.691) 1.417 9.450 ( 3.954 0.000 7.127) 8.150 9.866 ( 0.606 0.000 -1.384) 1.511 10.053 ( -0.463 0.000 1.686) 1.748 10.211 ( -0.708 0.000 -2.073) 2.191 10.662 ( -7.474 0.000 3.478) 8.243 10.966 ( 5.176 0.000 -3.221) 6.096 11.257 ( 6.985 0.000 2.691) 7.486 11.362 ( 6.712 0.000 2.903) 7.313 11.580 ( -0.659 0.000 0.022) 0.659 11.590 ( 0.898 0.000 1.185) 1.487 11.629 ( 0.908 0.000 -1.193) 1.499 11.811 ( 3.344 0.000 -5.214) 6.194 12.250 ( -2.909 0.000 -6.697) 7.302 12.523 ( -15.461 0.000 0.932) 15.489 13.489 ( 4.631 0.000 4.248) 6.284 13.853 ( -10.250 0.000 -0.256) 10.253 14.311 ( -6.472 0.000 -9.927) 11.850 14.597 ( 15.146 0.000 8.758) 17.496 14.862 ( 6.163 0.000 4.661) 7.727 ======================= Grid point 55 (23/88) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -13.556 0.000 15.171) 20.346 0.609 ( -11.031 0.000 14.065) 17.875 1.215 ( -37.063 0.000 15.760) 40.274 1.469 ( 2.246 0.000 2.367) 3.263 1.556 ( 4.445 0.000 -6.671) 8.016 1.762 ( -4.725 0.000 -10.595) 11.601 1.784 ( 9.709 0.000 1.733) 9.862 1.915 ( -11.580 0.000 2.485) 11.843 2.129 ( -1.788 0.000 -10.652) 10.801 2.270 ( 7.188 0.000 -3.051) 7.808 2.287 ( -1.259 0.000 -0.320) 1.299 2.497 ( -7.842 0.000 -5.729) 9.712 2.572 ( 3.777 0.000 1.685) 4.135 2.723 ( -7.919 0.000 0.446) 7.931 2.880 ( -4.299 0.000 -4.408) 6.157 2.894 ( 6.203 0.000 13.031) 14.432 2.985 ( 5.090 0.000 -2.253) 5.567 3.206 ( -2.868 0.000 4.519) 5.352 3.330 ( 0.852 0.000 -6.660) 6.715 3.686 ( -1.275 0.000 0.325) 1.315 3.741 ( 9.063 0.000 -4.285) 10.025 3.830 ( -0.376 0.000 3.626) 3.646 3.920 ( -5.797 0.000 4.923) 7.606 4.025 ( 4.767 0.000 1.641) 5.041 4.299 ( 0.476 0.000 8.024) 8.038 4.329 ( -0.530 0.000 -3.620) 3.658 4.458 ( 5.048 0.000 7.123) 8.731 4.563 ( 2.695 0.000 -2.869) 3.936 4.680 ( 1.202 0.000 2.180) 2.489 4.734 ( -0.746 0.000 3.468) 3.547 4.761 ( -2.352 0.000 -1.010) 2.559 4.845 ( -0.315 0.000 0.679) 0.749 4.934 ( -2.898 0.000 -6.927) 7.509 5.003 ( -2.952 0.000 2.877) 4.122 5.112 ( 3.330 0.000 -1.180) 3.533 5.206 ( 4.149 0.000 -3.759) 5.598 5.392 ( 4.697 0.000 -1.238) 4.857 5.578 ( -1.622 0.000 -1.123) 1.973 5.657 ( -8.135 0.000 -7.980) 11.396 5.709 ( 0.734 0.000 2.830) 2.924 5.866 ( -4.007 0.000 3.409) 5.261 5.968 ( -3.062 0.000 5.405) 6.212 6.081 ( 4.041 0.000 -1.020) 4.168 6.340 ( 2.375 0.000 -2.251) 3.273 6.406 ( 7.406 0.000 -6.713) 9.996 6.603 ( -0.151 0.000 4.108) 4.111 6.745 ( -1.340 0.000 -2.814) 3.116 6.787 ( -12.942 0.000 -13.296) 18.555 7.062 ( 3.588 0.000 -1.064) 3.742 7.107 ( 0.457 0.000 -3.216) 3.249 7.173 ( -1.693 0.000 0.420) 1.744 7.431 ( 0.569 0.000 -0.092) 0.576 7.512 ( 7.985 0.000 3.238) 8.616 7.707 ( 2.088 0.000 -2.410) 3.188 7.726 ( -6.456 0.000 -1.616) 6.655 7.789 ( 9.720 0.000 7.445) 12.244 7.951 ( -2.622 0.000 9.665) 10.014 8.218 ( -1.215 0.000 -1.008) 1.579 8.347 ( 1.070 0.000 3.053) 3.235 8.359 ( 1.376 0.000 -0.109) 1.380 8.551 ( -5.985 0.000 5.206) 7.932 8.665 ( -3.658 0.000 -1.940) 4.141 8.794 ( -3.995 0.000 -2.157) 4.540 8.914 ( -3.123 0.000 2.880) 4.248 9.270 ( 1.712 0.000 -1.404) 2.214 9.557 ( 5.859 0.000 2.540) 6.386 9.885 ( 1.364 0.000 -1.846) 2.295 10.039 ( -1.036 0.000 1.914) 2.176 10.178 ( -2.797 0.000 -4.304) 5.133 10.542 ( -5.611 0.000 3.237) 6.477 11.039 ( 3.038 0.000 -2.067) 3.675 11.386 ( 5.358 0.000 1.303) 5.514 11.540 ( 10.711 0.000 6.484) 12.521 11.569 ( -0.458 0.000 0.070) 0.463 11.621 ( 4.106 0.000 -0.543) 4.142 11.644 ( 0.643 0.000 -1.317) 1.465 11.870 ( 1.317 0.000 -6.341) 6.476 12.178 ( -5.347 0.000 -3.567) 6.427 12.285 ( -6.326 0.000 5.221) 8.202 13.543 ( 0.203 0.000 -0.455) 0.498 13.641 ( -10.782 0.000 -1.921) 10.952 14.086 ( -16.159 0.000 -11.991) 20.122 14.800 ( 3.694 0.000 1.849) 4.130 15.174 ( 26.884 0.000 15.391) 30.978 ======================= Grid point 56 (24/88) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -13.833 13.233 10.948) 22.052 0.707 ( 8.496 15.388 15.473) 23.417 1.156 ( 2.701 25.633 22.008) 33.893 1.518 ( -2.876 3.355 -6.472) 7.837 1.607 ( -3.975 -0.060 -6.372) 7.510 1.721 ( 6.531 5.897 -0.617) 8.821 1.882 ( 6.948 -1.188 5.954) 9.227 2.021 ( 0.055 8.417 -1.779) 8.603 2.163 ( -3.951 -1.624 -4.845) 6.459 2.263 ( 5.255 6.749 -8.281) 11.905 2.316 ( -4.026 1.556 -1.227) 4.487 2.379 ( 1.759 7.643 1.950) 8.082 2.619 ( -11.813 9.067 -2.234) 15.058 2.695 ( 1.430 -3.738 -2.556) 4.748 2.770 ( -1.659 0.863 -1.840) 2.623 3.013 ( 2.637 1.672 6.019) 6.780 3.119 ( -1.299 -2.083 5.281) 5.824 3.128 ( 7.087 0.749 0.147) 7.128 3.314 ( -3.907 1.665 -2.714) 5.040 3.618 ( -3.065 -2.801 1.946) 4.586 3.720 ( -1.944 -4.120 0.786) 4.623 3.830 ( 1.702 -3.537 -1.291) 4.133 3.912 ( -1.617 1.056 -0.247) 1.947 3.999 ( -3.046 0.779 1.437) 3.457 4.178 ( 0.586 -7.633 0.181) 7.657 4.287 ( -1.113 -2.018 6.194) 6.609 4.390 ( -0.581 -10.117 7.768) 12.769 4.531 ( -0.382 -3.371 -2.955) 4.499 4.615 ( -2.720 -5.779 -0.341) 6.396 4.789 ( 0.084 -0.701 -3.244) 3.320 4.811 ( -0.806 6.508 -0.610) 6.586 4.889 ( 4.481 0.535 3.260) 5.567 4.945 ( 1.245 5.480 -6.480) 8.577 5.000 ( -0.879 2.062 -0.163) 2.248 5.247 ( 0.255 -1.318 -2.888) 3.185 5.290 ( 2.109 7.573 -4.661) 9.139 5.436 ( 0.337 -3.316 0.758) 3.418 5.493 ( 1.418 -0.952 -0.051) 1.709 5.589 ( 1.820 -0.235 -0.461) 1.893 5.651 ( -0.127 -8.285 1.029) 8.349 5.793 ( -2.466 -0.806 0.709) 2.689 6.048 ( -2.775 5.226 -0.862) 5.980 6.083 ( 2.272 -6.031 -0.006) 6.445 6.220 ( 2.855 -4.183 -5.860) 7.745 6.487 ( -2.726 -7.043 1.805) 7.764 6.596 ( -1.020 5.044 -1.881) 5.479 6.673 ( 2.109 1.154 0.433) 2.443 6.827 ( 4.182 6.283 -2.154) 7.849 6.981 ( -1.560 -2.925 -1.159) 3.512 7.177 ( 1.235 2.051 -3.104) 3.920 7.235 ( 1.428 2.361 0.365) 2.783 7.371 ( -0.477 -5.777 0.549) 5.822 7.620 ( -5.167 3.806 -0.552) 6.441 7.666 ( 0.674 -1.008 4.680) 4.835 7.719 ( 4.927 1.877 0.174) 5.275 7.846 ( 0.140 0.608 6.276) 6.306 8.051 ( 10.208 -3.535 -1.241) 10.874 8.226 ( -0.643 -0.137 1.224) 1.390 8.272 ( -4.691 -2.432 4.370) 6.857 8.412 ( -0.540 -4.819 2.013) 5.250 8.451 ( 3.590 1.756 0.730) 4.063 8.587 ( -3.835 -6.566 4.892) 9.041 8.689 ( 3.375 -0.033 2.734) 4.343 8.906 ( -6.412 -4.934 8.179) 11.505 9.362 ( -3.510 9.412 -1.710) 10.189 9.426 ( 0.814 4.971 1.134) 5.163 9.937 ( 0.606 1.229 -2.162) 2.560 10.134 ( 5.297 1.512 -7.254) 9.108 10.391 ( 0.247 13.795 -11.244) 17.798 10.479 ( -5.949 5.789 0.746) 8.334 11.088 ( -0.013 2.089 -2.034) 2.916 11.382 ( -2.707 -2.941 -0.690) 4.056 11.481 ( -3.535 -1.128 5.843) 6.921 11.621 ( 2.078 0.881 0.532) 2.319 11.672 ( 0.340 2.481 -0.930) 2.672 11.719 ( 1.448 -0.196 -0.479) 1.538 11.966 ( -0.910 -0.801 -3.877) 4.062 12.150 ( -1.309 -1.884 -2.021) 3.057 12.449 ( 12.205 8.826 -0.595) 15.074 13.374 ( -8.924 -3.092 -4.387) 10.413 13.641 ( 5.649 3.939 0.566) 6.910 13.839 ( -7.827 3.426 -4.424) 9.622 14.805 ( 0.372 -2.351 1.435) 2.779 15.183 ( 1.423 -25.486 16.861) 30.592 ======================= Grid point 57 (25/88) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 18.624 11.827 -3.958) 22.415 0.915 ( 10.644 23.338 6.341) 26.423 1.452 ( 22.171 11.596 18.713) 31.245 1.496 ( 1.092 0.104 -6.360) 6.454 1.591 ( 2.755 0.860 -14.011) 14.305 1.828 ( 5.140 13.769 3.310) 15.066 1.939 ( -2.583 7.952 -1.759) 8.544 2.096 ( 6.840 -0.332 0.952) 6.914 2.166 ( -9.245 7.669 -0.616) 12.028 2.211 ( 6.051 -1.935 -0.558) 6.378 2.333 ( 5.605 -0.359 11.166) 12.499 2.424 ( -6.279 6.756 -2.167) 9.474 2.495 ( 9.233 9.676 -2.803) 13.664 2.672 ( -1.024 -1.922 -6.571) 6.922 2.818 ( 5.533 -0.706 0.493) 5.599 3.040 ( -1.199 0.461 0.059) 1.286 3.073 ( -2.973 -0.555 3.778) 4.840 3.213 ( -0.160 2.693 5.827) 6.421 3.241 ( -1.097 0.626 -6.843) 6.959 3.577 ( -1.549 -0.971 0.058) 1.829 3.675 ( -3.916 -5.514 -1.773) 6.992 3.829 ( -3.980 -0.537 -0.298) 4.027 3.877 ( 2.691 -4.195 0.502) 5.009 3.987 ( 0.216 4.917 3.112) 5.823 4.171 ( -1.125 -9.246 0.268) 9.318 4.237 ( -3.225 -1.640 6.154) 7.138 4.349 ( -3.350 -6.800 7.340) 10.552 4.517 ( -2.508 -0.312 -3.450) 4.277 4.574 ( -0.623 -9.276 1.472) 9.413 4.730 ( -4.416 2.677 -3.594) 6.291 4.768 ( -2.616 3.959 0.833) 4.818 4.960 ( -0.130 6.583 -4.878) 8.195 4.962 ( 1.920 1.104 -2.521) 3.355 4.985 ( -1.264 3.512 1.626) 4.071 5.208 ( -1.930 -2.457 2.140) 3.787 5.305 ( -1.616 2.893 0.374) 3.335 5.426 ( 0.240 -5.578 -1.028) 5.677 5.543 ( 3.003 0.148 1.862) 3.536 5.658 ( 2.709 -9.144 -2.245) 9.797 5.711 ( 3.282 -1.428 0.487) 3.612 5.774 ( 1.797 -1.346 -2.471) 3.338 5.967 ( -4.172 4.748 1.458) 6.486 6.116 ( 0.857 -6.162 1.039) 6.307 6.278 ( 2.828 -4.610 -6.610) 8.541 6.418 ( -3.953 -5.360 2.488) 7.110 6.630 ( 1.684 -0.487 0.227) 1.767 6.661 ( -1.731 3.405 -3.967) 5.507 6.871 ( -0.704 3.754 -0.021) 3.820 6.985 ( 1.018 -2.044 -2.998) 3.769 7.161 ( -1.519 2.483 -4.164) 5.080 7.308 ( 4.363 -0.149 0.216) 4.371 7.360 ( 0.083 -4.177 -0.929) 4.279 7.534 ( -4.064 3.963 -0.031) 5.677 7.693 ( -2.754 1.552 -0.642) 3.226 7.718 ( 2.644 -1.107 2.515) 3.813 7.942 ( 6.057 1.871 5.068) 8.116 8.135 ( -4.685 -3.063 4.610) 7.251 8.205 ( 6.419 -0.227 -6.076) 8.842 8.298 ( 4.143 -6.788 0.093) 7.953 8.406 ( -1.378 -3.807 3.821) 5.567 8.471 ( -5.615 -2.762 6.448) 8.985 8.540 ( 3.223 0.626 0.825) 3.385 8.819 ( 2.289 -1.464 -2.057) 3.408 8.872 ( 8.631 -9.941 11.679) 17.599 9.283 ( -3.955 14.101 -1.973) 14.778 9.448 ( 1.170 8.382 -0.316) 8.469 9.943 ( -0.044 2.252 -1.414) 2.660 10.194 ( 0.514 1.323 -3.606) 3.875 10.283 ( -8.229 17.842 -5.471) 20.396 10.450 ( 2.708 2.132 -1.203) 3.651 11.051 ( -2.474 0.904 -1.399) 2.983 11.284 ( -5.267 -0.974 1.175) 5.483 11.434 ( -1.793 -0.798 3.725) 4.210 11.627 ( -6.552 0.199 0.286) 6.562 11.645 ( -0.760 4.873 -0.920) 5.017 11.672 ( -0.477 2.256 -0.618) 2.387 12.050 ( -3.928 0.602 -5.838) 7.062 12.080 ( 4.916 -2.276 3.133) 6.258 12.654 ( 10.297 1.629 -1.714) 10.565 13.271 ( -2.862 -6.738 -0.811) 7.366 13.775 ( 2.869 1.431 -0.089) 3.207 13.872 ( 12.508 3.359 -6.979) 14.712 14.801 ( -0.728 -1.965 1.263) 2.447 15.033 ( -14.069 -13.882 14.189) 24.331 ======================= Grid point 58 (26/88) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 18.603 7.346 -8.726) 21.822 1.131 ( 12.288 21.478 4.394) 25.132 1.491 ( -0.324 1.083 -8.330) 8.406 1.619 ( 1.039 0.313 -21.769) 21.797 1.749 ( 3.718 11.955 5.471) 13.663 1.865 ( -4.818 10.673 1.485) 11.804 1.966 ( -8.574 7.787 -2.235) 11.796 2.026 ( 11.631 6.004 5.245) 14.100 2.125 ( -5.381 0.649 1.594) 5.650 2.287 ( -1.736 4.934 -3.529) 6.310 2.400 ( 13.487 0.929 4.713) 14.317 2.579 ( 10.964 0.434 7.634) 13.367 2.679 ( 8.549 6.131 -1.083) 10.576 2.739 ( 8.356 -4.093 0.989) 9.358 2.951 ( 1.297 -2.561 -3.557) 4.571 2.991 ( 6.253 4.134 -0.602) 7.521 3.069 ( 1.145 0.622 6.219) 6.354 3.198 ( 1.272 1.558 1.620) 2.582 3.241 ( 1.387 0.459 -5.054) 5.261 3.522 ( -5.402 -2.287 -0.998) 5.950 3.581 ( -3.978 -3.112 -5.436) 7.420 3.752 ( -4.613 1.646 0.924) 4.984 3.915 ( -0.862 -0.302 1.528) 1.780 3.965 ( -1.248 -2.410 9.391) 9.775 4.139 ( -9.525 -0.848 4.930) 10.759 4.197 ( 2.086 -7.423 1.756) 7.908 4.286 ( 0.043 -2.959 0.496) 3.001 4.461 ( -1.996 -6.320 -1.736) 6.851 4.557 ( -1.902 -7.501 3.547) 8.512 4.681 ( -2.434 2.430 0.719) 3.514 4.720 ( -0.881 -0.510 -0.583) 1.173 4.864 ( -5.211 7.835 -3.208) 9.941 4.978 ( -0.196 1.473 -3.042) 3.386 5.052 ( 4.483 2.959 3.543) 6.435 5.150 ( -4.338 -3.371 2.905) 6.214 5.259 ( -1.426 2.621 1.444) 3.315 5.451 ( 1.722 -6.728 -0.542) 6.966 5.569 ( -1.389 -0.183 3.597) 3.860 5.700 ( 1.016 -8.238 1.401) 8.418 5.745 ( 2.910 2.683 -5.310) 6.622 5.823 ( 1.501 -1.412 -3.616) 4.162 5.916 ( -0.806 3.305 2.200) 4.051 6.125 ( 0.119 -3.630 2.195) 4.244 6.302 ( -0.902 -5.246 -5.474) 7.635 6.358 ( -1.149 -6.936 1.809) 7.259 6.511 ( -9.248 -0.365 0.506) 9.269 6.726 ( 4.102 4.531 -5.164) 8.001 6.855 ( -0.804 -0.747 0.028) 1.098 6.970 ( -1.630 -3.517 -3.220) 5.039 7.130 ( -1.942 -1.560 -0.421) 2.526 7.333 ( 0.108 0.568 -3.496) 3.544 7.401 ( 0.258 -3.111 4.327) 5.336 7.463 ( -1.149 5.789 -2.253) 6.317 7.622 ( -2.833 1.841 -7.364) 8.102 7.785 ( 2.105 2.805 2.773) 4.471 8.038 ( 3.990 1.871 4.325) 6.174 8.099 ( 0.347 -1.500 3.663) 3.974 8.301 ( 2.415 1.300 -1.678) 3.215 8.343 ( -2.302 -6.530 8.143) 10.688 8.383 ( 0.459 -0.432 -1.467) 1.597 8.394 ( 0.431 -2.169 1.306) 2.568 8.606 ( 3.608 -3.399 -1.029) 5.062 8.840 ( 1.323 -2.374 -0.229) 2.727 9.076 ( 8.549 -11.894 6.090) 15.863 9.228 ( -1.096 18.795 -2.319) 18.969 9.461 ( 0.113 11.355 -0.603) 11.372 9.934 ( -0.735 2.783 -0.252) 2.889 10.098 ( -5.829 5.254 2.485) 8.231 10.258 ( 1.899 7.476 -3.982) 8.680 10.531 ( 5.801 1.321 -2.275) 6.370 11.022 ( -0.697 -0.936 -1.554) 1.943 11.211 ( -2.693 -0.599 0.303) 2.775 11.318 ( -10.526 -1.130 3.196) 11.058 11.543 ( -0.421 0.097 -0.674) 0.801 11.652 ( -0.012 4.296 -0.274) 4.305 11.663 ( 0.048 4.448 -0.487) 4.475 11.935 ( -5.099 2.230 -3.892) 6.791 12.201 ( 4.913 -1.695 1.478) 5.403 12.855 ( 10.825 -2.107 -2.995) 11.428 13.205 ( -5.140 -9.028 7.008) 12.532 13.848 ( 4.993 2.441 -2.636) 6.152 14.082 ( 8.726 -0.010 -4.889) 10.002 14.771 ( -7.825 -3.015 3.761) 9.191 14.786 ( -5.633 -2.078 3.749) 7.078 ======================= Grid point 59 (27/88) ======================= q-point: ( 0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 8.274 4.868 -12.851) 16.041 1.337 ( 4.494 18.680 0.946) 19.236 1.487 ( 0.510 -1.728 -8.214) 8.409 1.620 ( 3.510 -0.537 -13.480) 13.940 1.723 ( -9.113 9.541 1.015) 13.232 1.762 ( -2.087 17.982 3.891) 18.516 1.861 ( -1.903 8.939 -3.121) 9.657 1.977 ( -4.969 5.944 -4.156) 8.791 2.224 ( 4.688 1.887 3.103) 5.931 2.283 ( 4.113 4.932 2.001) 6.726 2.571 ( 6.381 -3.905 6.333) 9.802 2.713 ( 0.996 -1.063 -6.179) 6.348 2.785 ( -3.378 -1.467 -0.084) 3.684 2.907 ( 5.258 0.618 -3.744) 6.484 3.004 ( 7.650 3.278 0.028) 8.323 3.037 ( 0.641 1.808 4.473) 4.867 3.125 ( 1.744 5.449 1.485) 5.911 3.254 ( 2.781 0.266 2.719) 3.899 3.342 ( 0.546 -1.961 -3.251) 3.836 3.413 ( -2.250 -3.620 -4.716) 6.356 3.551 ( 0.715 0.189 -3.301) 3.383 3.696 ( 1.526 -0.391 4.316) 4.594 3.853 ( -3.478 0.420 5.291) 6.346 3.939 ( -6.808 2.006 1.857) 7.336 3.976 ( 0.404 -4.891 8.275) 9.621 4.191 ( -0.300 -1.634 2.365) 2.891 4.372 ( 4.485 -8.227 0.672) 9.394 4.446 ( 0.277 -5.954 0.036) 5.961 4.506 ( -2.577 -3.353 6.130) 7.447 4.621 ( -1.402 -4.465 2.120) 5.138 4.741 ( 1.645 3.139 0.896) 3.656 4.814 ( 0.294 2.904 1.918) 3.493 4.951 ( -2.031 -0.134 -2.651) 3.342 5.068 ( -3.572 -1.853 3.010) 5.026 5.118 ( 1.260 -0.280 2.035) 2.410 5.274 ( 2.076 4.304 -2.046) 5.198 5.476 ( -1.136 -4.608 -0.483) 4.770 5.502 ( -3.083 -1.830 2.333) 4.278 5.708 ( -0.263 -6.045 0.957) 6.126 5.753 ( -1.691 -0.878 0.057) 1.906 5.865 ( 3.591 3.980 -6.403) 8.351 5.945 ( 2.927 1.342 2.767) 4.246 6.118 ( -1.058 0.306 1.975) 2.262 6.258 ( -2.006 -2.509 -3.013) 4.404 6.334 ( -7.669 -1.359 -1.492) 7.930 6.383 ( 1.835 -9.499 -0.127) 9.676 6.781 ( 1.942 5.454 -5.166) 7.759 6.823 ( -2.389 -0.727 -0.217) 2.507 6.968 ( 1.929 -8.648 -2.541) 9.218 7.086 ( -2.327 -6.235 1.116) 6.748 7.315 ( -1.946 -0.593 2.875) 3.522 7.368 ( -1.412 3.251 -2.249) 4.197 7.496 ( 2.706 4.524 -2.546) 5.854 7.586 ( -1.117 2.893 -11.202) 11.623 7.785 ( -1.831 5.660 3.607) 6.957 8.077 ( -0.862 0.745 2.128) 2.414 8.140 ( 3.465 -0.577 2.817) 4.503 8.261 ( -3.409 -1.189 5.151) 6.290 8.320 ( -3.606 -0.386 5.028) 6.199 8.352 ( 0.853 0.020 -0.033) 0.854 8.501 ( 6.427 0.700 -0.428) 6.480 8.670 ( 2.997 -6.688 -2.451) 7.728 8.852 ( -0.491 -3.942 -0.589) 4.016 9.155 ( 1.702 3.326 -0.264) 3.745 9.264 ( 2.948 4.548 2.902) 6.148 9.451 ( -1.143 13.366 -0.130) 13.416 9.918 ( -0.909 2.734 0.201) 2.888 10.024 ( -2.532 -0.224 2.921) 3.872 10.296 ( 2.065 8.156 -3.182) 8.995 10.667 ( 8.498 0.631 -2.692) 8.937 10.990 ( -4.933 -0.064 0.689) 4.981 11.122 ( -5.257 -1.949 2.641) 6.198 11.201 ( -0.002 -1.958 -1.385) 2.398 11.554 ( 0.808 0.801 -0.085) 1.141 11.640 ( -0.789 1.762 -0.745) 2.069 11.677 ( 0.942 6.601 0.525) 6.688 11.861 ( -2.314 3.969 -3.485) 5.766 12.264 ( 1.796 -1.568 -1.606) 2.874 12.990 ( -4.210 -5.339 -3.223) 7.524 13.128 ( 4.039 -7.828 11.666) 14.618 13.945 ( 4.869 1.952 -1.459) 5.445 14.198 ( 3.853 -0.440 -2.072) 4.397 14.602 ( -6.693 0.446 0.318) 6.716 14.756 ( -0.639 -0.977 -0.014) 1.167 ======================= Grid point 60 (28/88) ======================= q-point: (-0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -12.482 4.336 -10.101) 16.633 1.332 ( -1.338 11.868 -2.224) 12.149 1.480 ( -4.304 7.670 -9.315) 12.811 1.596 ( -0.918 11.036 -0.313) 11.078 1.689 ( -1.435 10.951 -5.143) 12.183 1.727 ( 2.064 1.546 -6.675) 7.156 1.892 ( 6.291 5.252 -1.633) 8.356 2.011 ( 7.298 9.156 1.306) 11.782 2.290 ( 3.723 6.494 -2.104) 7.776 2.363 ( 0.396 0.767 8.920) 8.961 2.581 ( -12.149 -1.495 -5.211) 13.304 2.625 ( -5.771 -3.453 -4.915) 8.330 2.732 ( -1.199 -2.493 4.589) 5.359 2.916 ( -6.178 1.831 -0.585) 6.470 2.970 ( -2.081 0.900 3.959) 4.563 3.021 ( -9.008 5.763 1.975) 10.874 3.089 ( -4.890 4.667 0.998) 6.833 3.232 ( 0.371 -0.974 -3.955) 4.090 3.318 ( -0.066 2.162 -6.396) 6.751 3.419 ( 0.146 -2.440 -2.483) 3.484 3.602 ( 6.002 -1.475 -3.002) 6.871 3.757 ( 2.870 -2.445 4.190) 5.637 3.813 ( 0.139 -1.138 3.849) 4.016 3.970 ( -1.079 -3.940 9.319) 10.175 4.026 ( 12.208 1.703 5.662) 13.564 4.245 ( 3.514 -3.990 6.638) 8.505 4.370 ( -2.464 -7.999 -0.531) 8.387 4.454 ( 1.291 -3.325 5.837) 6.841 4.506 ( 1.100 -2.751 1.997) 3.573 4.706 ( 7.319 -4.790 2.644) 9.138 4.787 ( 4.686 4.637 1.797) 6.833 4.843 ( 1.510 0.454 3.993) 4.293 4.913 ( -1.876 -1.532 -3.180) 3.998 5.011 ( -2.195 -4.547 1.156) 5.180 5.119 ( -0.790 1.856 2.171) 2.964 5.281 ( -1.258 2.603 -5.162) 5.916 5.360 ( -7.090 2.835 -2.033) 7.902 5.510 ( 0.284 -7.354 0.962) 7.422 5.692 ( -1.326 -4.516 0.400) 4.723 5.764 ( 3.119 -0.324 1.997) 3.717 5.917 ( 1.968 1.284 -4.585) 5.152 5.999 ( 2.057 0.507 4.187) 4.693 6.075 ( -4.015 4.301 2.180) 6.274 6.215 ( -3.299 -2.747 -6.061) 7.427 6.259 ( 2.124 -0.352 -2.012) 2.947 6.435 ( 3.125 -10.105 0.997) 10.625 6.779 ( -1.194 -0.389 -2.719) 2.995 6.824 ( 2.931 2.657 -3.239) 5.113 7.008 ( 0.614 -7.576 -1.141) 7.686 7.062 ( 0.850 -6.385 -1.250) 6.562 7.272 ( -2.993 -0.599 -3.954) 4.995 7.357 ( 0.691 -0.455 0.821) 1.166 7.530 ( -1.786 8.578 -7.382) 11.457 7.573 ( 2.831 3.438 -3.311) 5.549 7.742 ( -2.319 5.589 3.840) 7.167 8.016 ( -5.179 1.264 1.922) 5.667 8.183 ( -0.055 -1.191 0.913) 1.502 8.203 ( -3.949 0.392 4.665) 6.125 8.269 ( -0.248 -0.936 3.512) 3.643 8.367 ( 0.733 1.625 0.925) 2.009 8.609 ( 4.110 2.371 3.559) 5.932 8.709 ( 1.131 -8.184 -3.217) 8.866 8.811 ( -3.757 -5.413 -0.555) 6.612 9.206 ( 3.233 15.187 -2.019) 15.658 9.284 ( -0.651 -8.453 5.672) 10.201 9.423 ( -1.402 15.149 -0.629) 15.227 9.904 ( -0.440 2.603 -0.568) 2.700 9.988 ( -1.551 -3.468 1.953) 4.272 10.330 ( 1.712 9.224 -2.273) 9.653 10.828 ( -3.080 1.030 1.890) 3.757 10.840 ( 2.545 0.295 -2.086) 3.304 11.121 ( 3.285 -2.869 1.495) 4.611 11.230 ( 2.794 -2.786 -0.243) 3.954 11.566 ( 0.404 0.277 -0.063) 0.494 11.627 ( -0.393 2.032 -0.918) 2.264 11.688 ( -0.005 3.877 0.285) 3.888 11.858 ( 2.526 9.386 -1.929) 9.910 12.270 ( -1.029 -2.022 -4.853) 5.357 12.772 ( -14.410 -5.052 1.726) 15.368 13.290 ( 8.490 -7.421 7.024) 13.285 13.993 ( -1.567 1.336 0.597) 2.144 14.261 ( 4.569 -1.601 -0.858) 4.917 14.508 ( -3.225 1.597 -2.292) 4.266 14.770 ( 2.098 -1.439 0.458) 2.585 ======================= Grid point 61 (29/88) ======================= q-point: (-0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -15.426 6.648 -1.745) 16.888 1.196 ( -11.735 24.284 5.758) 27.578 1.449 ( 2.342 -0.544 -11.855) 12.097 1.598 ( 1.498 12.841 -4.985) 13.856 1.698 ( -4.500 -0.370 -8.532) 9.653 1.757 ( 6.764 8.424 -5.791) 12.258 1.975 ( -15.691 1.504 6.151) 16.920 2.115 ( 4.660 7.636 2.000) 9.166 2.187 ( -2.276 5.827 -2.952) 6.918 2.297 ( -16.977 0.419 -0.850) 17.003 2.358 ( 0.201 5.008 -9.409) 10.661 2.549 ( -2.141 -0.412 1.387) 2.584 2.597 ( -8.826 -4.309 3.338) 10.374 2.799 ( 0.990 3.740 13.679) 14.216 2.911 ( -4.613 3.100 -3.758) 6.709 2.937 ( -3.073 1.589 2.269) 4.137 3.015 ( -2.800 3.493 -0.751) 4.539 3.216 ( -2.682 -2.758 1.284) 4.056 3.326 ( 2.128 2.883 -7.637) 8.436 3.521 ( 9.488 -1.194 -3.854) 10.311 3.684 ( 1.038 -2.661 2.143) 3.571 3.809 ( 3.328 -1.581 -1.357) 3.926 3.890 ( 5.896 -1.018 3.481) 6.923 3.954 ( -1.275 -3.358 9.824) 10.460 4.207 ( 3.112 -5.388 2.018) 6.541 4.248 ( -0.427 -3.997 8.328) 9.247 4.371 ( 1.909 -5.262 3.108) 6.402 4.518 ( -0.061 -3.989 2.506) 4.711 4.534 ( 6.505 -2.845 3.542) 7.934 4.770 ( 0.992 1.718 2.263) 3.010 4.847 ( -2.185 -1.659 3.123) 4.157 4.866 ( -1.317 0.445 -0.346) 1.432 4.880 ( 0.298 -3.696 -6.414) 7.409 5.061 ( 8.080 3.560 2.714) 9.237 5.096 ( -1.682 3.335 0.113) 3.737 5.234 ( -3.130 2.870 -3.590) 5.560 5.296 ( 2.226 -0.194 -3.694) 4.317 5.506 ( -0.531 -7.229 0.721) 7.284 5.663 ( -1.562 -3.811 -0.047) 4.119 5.810 ( -0.401 0.316 -0.750) 0.907 5.929 ( -2.096 -2.204 -1.639) 3.455 5.989 ( -1.326 -0.641 1.707) 2.255 6.029 ( 0.662 3.511 5.225) 6.330 6.188 ( 0.062 -4.718 -6.636) 8.143 6.344 ( 6.402 2.180 -1.842) 7.010 6.495 ( 2.976 -8.238 1.927) 8.968 6.767 ( -0.139 -0.157 -3.286) 3.292 6.891 ( 1.524 -0.894 -2.665) 3.198 6.989 ( -0.014 -3.420 -5.621) 6.579 7.107 ( 2.290 -0.678 -4.717) 5.287 7.211 ( -2.002 -2.013 -6.632) 7.214 7.379 ( 0.758 -2.262 1.284) 2.710 7.479 ( -1.294 4.860 -0.388) 5.044 7.656 ( 4.772 5.553 2.799) 7.838 7.713 ( -0.306 3.825 1.238) 4.033 7.904 ( -6.281 2.472 1.466) 6.907 8.082 ( -7.509 2.020 5.075) 9.285 8.188 ( 0.570 -2.369 -0.128) 2.440 8.296 ( 1.803 -1.484 2.371) 3.328 8.381 ( 0.740 2.019 0.368) 2.182 8.620 ( -3.828 -1.343 5.912) 7.170 8.718 ( -1.541 -3.131 -3.938) 5.262 8.724 ( -3.246 -6.573 1.397) 7.463 9.173 ( -5.868 5.889 3.012) 8.842 9.337 ( 4.828 -0.928 3.761) 6.190 9.407 ( -0.130 14.197 -2.613) 14.436 9.909 ( 1.173 2.985 -1.965) 3.761 9.968 ( -0.145 -4.336 -0.144) 4.341 10.359 ( 1.375 10.467 -2.081) 10.760 10.677 ( -6.978 1.516 3.341) 7.883 10.967 ( 5.099 0.333 -3.029) 5.940 11.229 ( 7.450 -2.398 3.187) 8.451 11.308 ( 5.637 -3.421 0.503) 6.613 11.566 ( -0.159 -1.745 -0.697) 1.886 11.625 ( 0.123 3.116 -0.452) 3.151 11.682 ( -0.345 2.218 -0.496) 2.299 11.957 ( 7.404 14.247 -0.931) 16.083 12.224 ( -3.215 -2.572 -5.728) 7.054 12.492 ( -14.551 -3.019 0.512) 14.870 13.422 ( 5.084 -6.974 5.330) 10.144 13.874 ( -9.681 2.143 -0.700) 9.940 14.293 ( -5.234 -2.173 -8.364) 10.103 14.564 ( 11.214 -2.482 7.283) 13.600 14.826 ( 3.654 -3.221 3.233) 5.846 ======================= Grid point 62 (30/88) ======================= q-point: (-0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -7.994 10.223 10.074) 16.429 0.926 ( -18.755 19.649 7.454) 28.167 1.351 ( -23.055 14.740 12.067) 29.907 1.527 ( 3.551 0.524 -8.475) 9.204 1.646 ( 1.561 13.445 -3.574) 14.000 1.720 ( -4.851 -2.738 -6.117) 8.273 1.878 ( -5.501 2.068 0.382) 5.890 1.936 ( 1.095 6.820 -1.510) 7.070 2.214 ( -1.399 6.354 -5.658) 8.622 2.278 ( 4.907 2.217 0.343) 5.396 2.322 ( -2.734 3.581 -2.551) 5.178 2.396 ( -5.965 -3.914 -4.707) 8.547 2.626 ( 4.300 2.624 5.323) 7.329 2.796 ( -5.883 4.889 -1.740) 7.845 2.854 ( -5.499 -0.229 -4.168) 6.904 2.917 ( 6.191 2.756 10.410) 12.421 3.007 ( 3.690 1.907 -0.146) 4.157 3.167 ( -3.060 -2.880 3.654) 5.569 3.351 ( 0.135 1.704 -4.945) 5.232 3.651 ( 0.584 -3.445 -0.424) 3.520 3.715 ( 4.901 -1.012 -1.336) 5.180 3.839 ( -2.521 -6.297 0.620) 6.811 3.897 ( -0.242 2.940 5.737) 6.451 4.011 ( 3.812 -1.632 1.550) 4.427 4.187 ( -1.751 -8.768 0.614) 8.963 4.280 ( 1.004 -1.926 8.106) 8.392 4.384 ( -0.497 -5.705 6.206) 8.444 4.529 ( 1.179 -5.173 -0.500) 5.329 4.629 ( 1.672 -7.082 1.233) 7.380 4.777 ( -0.353 5.677 -0.139) 5.690 4.800 ( -0.317 1.657 -1.507) 2.262 4.842 ( 0.721 1.050 3.704) 3.917 4.911 ( 2.504 -0.180 -9.387) 9.717 5.055 ( -3.043 1.769 0.668) 3.582 5.190 ( 3.937 6.368 -3.718) 8.359 5.228 ( 3.513 1.418 -0.288) 3.799 5.380 ( 4.967 -1.088 0.988) 5.180 5.493 ( -0.804 -6.363 -0.373) 6.424 5.633 ( -1.939 -3.844 -0.354) 4.320 5.724 ( -7.094 0.024 -3.567) 7.940 5.855 ( -3.977 -1.470 1.765) 4.593 6.021 ( 2.481 -4.277 1.057) 5.056 6.059 ( 2.112 4.354 2.984) 5.685 6.193 ( 0.617 -6.651 -6.501) 9.321 6.469 ( 5.178 -1.511 1.074) 5.500 6.551 ( 3.616 -1.895 -0.869) 4.174 6.746 ( -4.796 -0.543 -2.478) 5.426 6.811 ( -4.093 3.224 -8.799) 10.226 7.013 ( -0.587 -1.529 -4.293) 4.594 7.130 ( 2.345 -0.281 -4.191) 4.811 7.223 ( 1.405 2.961 0.269) 3.288 7.378 ( -0.448 -4.418 1.418) 4.662 7.536 ( 7.493 2.398 2.786) 8.347 7.677 ( -0.997 2.205 3.334) 4.120 7.758 ( -4.206 0.455 2.322) 4.826 7.827 ( 4.630 4.114 -0.848) 6.251 7.953 ( -4.596 0.944 7.844) 9.140 8.210 ( 1.475 -0.300 -0.636) 1.634 8.320 ( 0.081 -2.708 2.497) 3.684 8.399 ( 1.347 1.495 -0.637) 2.111 8.504 ( -7.177 -4.152 4.405) 9.389 8.633 ( -3.534 -5.377 0.226) 6.438 8.704 ( -2.042 0.128 2.198) 3.003 9.043 ( -7.617 -1.133 6.297) 9.947 9.388 ( 0.459 10.305 0.856) 10.350 9.420 ( 0.704 2.115 -0.820) 2.376 9.927 ( 0.543 0.633 -1.892) 2.068 10.019 ( 5.788 1.177 -5.732) 8.230 10.380 ( 0.953 11.669 -4.836) 12.667 10.571 ( -4.518 3.507 1.826) 6.004 11.046 ( 3.680 1.053 -1.725) 4.199 11.362 ( 5.281 -2.206 1.280) 5.864 11.433 ( 5.985 -4.032 5.297) 8.952 11.585 ( 2.400 -1.915 -1.767) 3.543 11.639 ( 2.532 2.162 0.771) 3.417 11.676 ( -0.361 2.296 -0.904) 2.494 12.067 ( -0.850 8.786 -12.811) 15.557 12.170 ( -1.700 1.274 2.881) 3.580 12.282 ( -1.871 2.409 4.404) 5.358 13.482 ( 0.358 -6.475 0.890) 6.545 13.680 ( -9.024 3.737 -2.184) 10.008 14.089 ( -14.472 0.136 -11.178) 18.287 14.767 ( 5.101 -3.619 3.218) 7.034 14.977 ( 13.911 -14.626 16.050) 25.789 ======================= Grid point 63 (31/88) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -8.050 16.249 5.875) 19.062 0.978 ( 8.571 14.229 11.007) 19.927 1.383 ( -2.958 0.114 5.720) 6.441 1.563 ( -2.587 -0.271 -15.976) 16.186 1.683 ( 10.505 -6.570 7.904) 14.697 1.759 ( -1.975 5.857 -12.683) 14.109 2.036 ( 4.780 11.563 -3.675) 13.040 2.127 ( 0.835 5.363 3.932) 6.702 2.241 ( -1.275 9.322 -2.813) 9.820 2.371 ( 0.061 7.520 -0.376) 7.530 2.402 ( 0.093 7.540 1.062) 7.615 2.611 ( 4.453 13.296 -1.761) 14.132 2.647 ( -1.204 1.519 1.050) 2.204 2.768 ( -8.450 4.338 -5.080) 10.771 2.830 ( -2.788 6.374 3.579) 7.823 3.049 ( 2.346 0.761 4.879) 5.467 3.095 ( -0.554 0.130 1.437) 1.545 3.150 ( 4.905 2.127 4.312) 6.868 3.310 ( -4.452 -2.594 -4.521) 6.855 3.537 ( -1.159 -6.580 3.611) 7.595 3.612 ( 0.903 -5.474 -0.420) 5.564 3.798 ( -0.984 -1.489 -1.557) 2.368 3.916 ( -5.985 1.701 -0.466) 6.240 3.973 ( 2.049 -3.540 1.361) 4.311 4.128 ( 0.247 2.370 4.141) 4.777 4.209 ( -1.530 -6.877 5.379) 8.864 4.274 ( -0.489 -0.818 7.397) 7.459 4.366 ( 0.774 -9.605 0.531) 9.651 4.629 ( -1.202 5.125 -1.881) 5.590 4.792 ( -2.156 0.045 -2.800) 3.534 4.853 ( 1.399 -1.517 -1.955) 2.843 4.895 ( 2.105 -2.834 -0.863) 3.634 4.970 ( 1.633 -3.964 -1.636) 4.589 5.045 ( -0.503 4.237 -0.640) 4.315 5.121 ( 3.184 -11.036 -3.838) 12.110 5.374 ( -1.444 1.727 -1.756) 2.855 5.396 ( -2.584 -11.324 2.114) 11.806 5.457 ( 3.230 5.167 2.868) 6.735 5.529 ( 1.434 1.037 -0.929) 1.999 5.606 ( -0.692 0.505 -1.382) 1.626 5.758 ( -0.838 -3.061 -0.722) 3.255 5.916 ( 2.831 -8.571 -0.846) 9.066 6.067 ( -3.205 1.588 -2.155) 4.176 6.249 ( 2.368 0.811 -1.593) 2.966 6.361 ( -0.729 -4.278 -0.512) 4.370 6.626 ( -2.124 -3.149 1.482) 4.077 6.715 ( 0.599 4.518 -5.255) 6.956 6.934 ( 2.534 0.987 -0.515) 2.768 6.973 ( 0.230 3.852 -2.406) 4.547 7.182 ( 4.845 -1.061 -1.852) 5.294 7.249 ( -2.246 -0.674 -2.773) 3.631 7.300 ( -1.560 -0.053 0.240) 1.579 7.698 ( -3.105 3.712 0.316) 4.850 7.728 ( -1.941 5.921 2.699) 6.790 7.775 ( 8.166 3.234 3.367) 9.407 7.860 ( -3.454 1.214 5.768) 6.832 8.009 ( 7.097 -1.645 1.681) 7.477 8.175 ( -7.613 -4.943 6.012) 10.887 8.234 ( 0.304 -3.191 1.761) 3.657 8.324 ( 4.313 -4.258 -0.748) 6.106 8.438 ( -1.310 -0.799 2.990) 3.360 8.515 ( 0.031 -1.132 0.999) 1.510 8.695 ( -1.138 0.473 2.181) 2.505 8.803 ( -3.874 -4.359 1.993) 6.163 9.562 ( -0.670 8.275 0.774) 8.338 9.590 ( -1.526 9.586 1.553) 9.830 9.999 ( 2.279 6.117 -3.294) 7.312 10.171 ( 4.512 2.270 -6.067) 7.895 10.485 ( -1.337 3.231 0.146) 3.499 10.652 ( -2.373 6.786 -9.579) 11.977 11.154 ( 0.625 4.449 -2.851) 5.321 11.313 ( -2.119 -4.123 -0.716) 4.691 11.503 ( -0.838 2.912 7.832) 8.398 11.622 ( 5.483 -0.313 1.202) 5.622 11.705 ( 2.774 -0.432 -0.927) 2.957 11.726 ( -0.803 1.734 -0.197) 1.921 11.918 ( -3.384 -3.359 -2.299) 5.294 12.076 ( -0.313 -5.802 -0.159) 5.813 12.612 ( 3.917 8.711 0.137) 9.552 13.236 ( -7.250 -10.572 -0.961) 12.855 13.725 ( 3.170 4.859 -1.286) 5.942 13.904 ( -4.747 2.165 -7.613) 9.229 14.744 ( 1.298 -3.887 2.389) 4.743 14.828 ( 1.640 -11.795 12.764) 17.457 ======================= Grid point 64 (32/88) ======================= q-point: ( 0.14 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 12.747 14.986 -6.039) 20.580 1.212 ( 11.269 9.231 -3.016) 14.876 1.497 ( 8.781 1.594 2.030) 9.153 1.559 ( 7.878 0.660 -8.943) 11.937 1.744 ( 0.602 5.653 -11.289) 12.640 1.953 ( 15.985 -3.132 11.346) 19.851 2.095 ( 0.063 4.629 -2.833) 5.427 2.180 ( -0.188 5.575 0.176) 5.581 2.228 ( 4.793 10.358 2.036) 11.593 2.331 ( -5.147 11.313 0.476) 12.438 2.433 ( 5.826 7.227 8.302) 12.453 2.561 ( -6.025 5.999 0.023) 8.502 2.630 ( -1.620 7.780 -1.651) 8.117 2.729 ( 5.055 8.772 -4.031) 10.897 2.835 ( 2.473 3.740 -1.267) 4.659 3.049 ( -0.701 0.584 6.063) 6.131 3.110 ( 0.938 2.934 0.087) 3.082 3.204 ( -4.350 -4.107 -5.175) 7.910 3.256 ( 3.123 1.012 4.575) 5.631 3.527 ( -0.059 -5.801 -0.016) 5.801 3.623 ( -2.185 0.537 -1.094) 2.502 3.774 ( -1.538 -3.510 -1.202) 4.016 3.810 ( -1.492 -3.376 -0.029) 3.691 3.983 ( -1.370 -6.038 0.861) 6.251 4.087 ( -3.901 2.046 5.307) 6.897 4.180 ( -3.393 -4.320 5.799) 7.988 4.259 ( -0.243 -0.057 4.673) 4.680 4.372 ( -0.028 -10.189 2.011) 10.386 4.566 ( -6.079 4.014 -1.876) 7.523 4.734 ( -2.299 -0.648 -4.837) 5.395 4.835 ( -4.012 0.981 0.109) 4.132 4.913 ( 0.977 -2.666 -1.889) 3.410 4.965 ( -2.065 -9.123 0.209) 9.356 5.091 ( 4.752 3.610 0.021) 5.967 5.206 ( 1.150 2.355 -3.336) 4.242 5.304 ( -2.358 -2.743 1.227) 3.819 5.378 ( 0.306 -10.514 0.052) 10.519 5.424 ( -2.625 2.015 2.034) 3.885 5.552 ( 1.402 -1.195 4.364) 4.737 5.706 ( 5.920 -1.256 -3.433) 6.958 5.748 ( 0.158 -0.811 -1.337) 1.572 5.977 ( 3.695 -5.006 -1.140) 6.325 6.012 ( -2.552 0.728 1.041) 2.850 6.262 ( -0.575 -1.879 -3.696) 4.186 6.322 ( -3.367 -1.553 0.812) 3.796 6.596 ( -1.508 -2.885 0.644) 3.318 6.702 ( -0.871 1.484 -3.803) 4.174 6.880 ( -4.044 -2.832 -1.026) 5.043 7.028 ( -0.349 5.002 -0.471) 5.037 7.193 ( -3.045 0.523 -4.174) 5.193 7.266 ( 2.104 -2.824 0.554) 3.565 7.303 ( 3.940 -0.592 -2.331) 4.616 7.623 ( -3.785 4.657 -0.645) 6.036 7.729 ( -2.298 2.123 -0.469) 3.164 7.771 ( 1.641 4.968 3.117) 6.090 7.976 ( 7.984 1.679 5.295) 9.727 8.064 ( -2.475 -4.081 4.743) 6.729 8.151 ( 6.093 -2.304 0.182) 6.517 8.254 ( 1.822 -2.695 0.785) 3.347 8.372 ( -0.010 -2.876 1.731) 3.357 8.413 ( -1.482 -0.305 4.058) 4.331 8.543 ( 2.236 -0.429 0.533) 2.339 8.726 ( 4.559 -3.902 4.151) 7.297 8.778 ( 1.313 -2.726 -1.402) 3.335 9.545 ( -0.760 11.099 0.232) 11.128 9.597 ( 1.821 6.738 0.027) 6.980 10.029 ( 0.756 7.055 -1.083) 7.177 10.225 ( 1.070 1.977 -2.419) 3.302 10.475 ( -0.234 3.615 1.096) 3.784 10.572 ( -4.502 9.097 -11.200) 15.115 11.104 ( -4.778 4.567 -1.300) 6.736 11.249 ( -4.070 -2.549 0.278) 4.810 11.433 ( -3.529 0.745 5.056) 6.211 11.613 ( -8.225 -1.433 0.218) 8.352 11.715 ( 1.069 2.600 -0.041) 2.811 11.727 ( 1.415 2.734 -0.060) 3.079 12.010 ( 9.018 -3.673 1.560) 9.861 12.061 ( -2.310 -1.105 -4.288) 4.994 12.683 ( 4.857 1.807 2.102) 5.593 13.095 ( -6.407 -10.935 0.406) 12.680 13.819 ( 4.743 3.228 -1.109) 5.843 13.929 ( 7.113 2.021 -7.881) 10.807 14.753 ( -0.177 -2.887 1.388) 3.208 14.808 ( -3.982 -8.731 10.078) 13.916 ======================= Grid point 65 (33/88) ======================= q-point: ( 0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 14.120 9.546 -12.005) 20.847 1.372 ( 6.600 3.271 -11.592) 13.734 1.547 ( 2.755 2.391 -17.071) 17.456 1.716 ( -0.878 8.264 -9.387) 12.538 1.876 ( 13.026 2.184 4.013) 13.804 2.041 ( -4.981 6.386 0.521) 8.115 2.128 ( -5.382 7.271 1.885) 9.240 2.184 ( 3.104 6.886 3.934) 8.516 2.256 ( 1.658 13.224 2.907) 13.641 2.320 ( 4.921 1.464 1.377) 5.316 2.491 ( -0.923 6.236 1.486) 6.477 2.631 ( 6.144 -4.912 2.472) 8.245 2.722 ( 12.473 14.493 8.135) 20.780 2.807 ( 5.074 6.111 -1.498) 8.083 2.909 ( 5.675 -0.579 -3.867) 6.892 3.064 ( -0.375 2.215 -4.262) 4.818 3.106 ( 4.879 3.387 6.567) 8.854 3.203 ( 3.432 -1.936 -0.451) 3.966 3.271 ( -0.974 2.172 1.422) 2.773 3.503 ( -5.577 2.215 -1.815) 6.269 3.546 ( -1.091 -1.175 -3.026) 3.424 3.730 ( -2.509 -3.978 1.448) 4.921 3.838 ( 0.510 -5.177 2.991) 6.001 3.946 ( -4.088 -6.491 6.708) 10.190 4.038 ( 1.341 -1.936 0.192) 2.363 4.091 ( -5.165 -4.594 5.162) 8.627 4.256 ( -0.927 -0.440 2.367) 2.580 4.359 ( -2.789 -7.462 2.240) 8.275 4.429 ( -5.001 -0.622 -3.424) 6.093 4.719 ( -6.168 1.292 1.764) 6.544 4.730 ( 0.141 0.581 -0.938) 1.113 4.892 ( -4.255 -7.907 -0.592) 8.999 4.936 ( 0.135 -4.196 -0.819) 4.278 5.130 ( -5.031 6.876 -0.889) 8.566 5.192 ( 3.983 5.821 3.025) 7.675 5.296 ( -1.146 -9.570 0.261) 9.642 5.320 ( -1.500 3.066 1.608) 3.773 5.510 ( 6.309 -8.232 0.807) 10.403 5.552 ( -1.582 -1.759 5.014) 5.544 5.729 ( -0.404 -4.306 -1.499) 4.577 5.819 ( 4.437 -0.116 -2.384) 5.038 5.969 ( -1.815 1.124 2.432) 3.236 6.059 ( 4.883 -0.902 -1.340) 5.143 6.238 ( -2.131 -4.048 -3.536) 5.782 6.255 ( -2.507 -0.903 -1.236) 2.937 6.498 ( -8.584 -1.582 1.184) 8.809 6.728 ( 3.163 -2.181 -2.571) 4.623 6.822 ( -1.787 -3.487 -1.918) 4.363 6.966 ( -4.656 1.871 -0.819) 5.084 7.103 ( -5.891 -0.525 -1.157) 6.026 7.297 ( 0.639 -2.206 -0.131) 2.301 7.379 ( 2.442 -0.330 -0.135) 2.468 7.572 ( -0.811 5.038 -3.953) 6.455 7.660 ( -2.146 1.659 -6.248) 6.811 7.873 ( 5.691 5.854 2.907) 8.666 8.066 ( 2.083 -1.804 5.643) 6.280 8.081 ( 2.285 2.687 3.793) 5.180 8.244 ( 3.348 -2.832 0.102) 4.387 8.298 ( 2.422 -2.156 -1.110) 3.427 8.341 ( -2.336 -3.787 4.228) 6.138 8.415 ( 2.192 3.427 -1.533) 4.347 8.578 ( 1.683 -0.817 1.575) 2.445 8.781 ( 1.127 -3.194 1.111) 3.565 8.882 ( 7.412 -7.737 1.780) 10.861 9.539 ( -0.048 13.323 -0.561) 13.335 9.643 ( 2.696 6.721 -1.079) 7.322 10.027 ( -0.849 6.565 1.637) 6.819 10.176 ( -6.402 3.469 2.575) 7.723 10.454 ( 0.040 11.334 -5.764) 12.716 10.569 ( 4.113 2.777 -4.319) 6.579 11.030 ( -2.297 2.045 -0.505) 3.116 11.185 ( -2.479 -1.890 -0.521) 3.160 11.295 ( -11.250 -1.076 3.709) 11.895 11.532 ( -0.199 -2.121 -1.501) 2.605 11.702 ( -1.187 2.597 -0.587) 2.915 11.754 ( 0.606 2.934 0.198) 3.002 12.008 ( -1.877 5.010 -3.414) 6.347 12.160 ( 5.844 -2.346 3.478) 7.194 12.798 ( 6.732 -3.668 -0.468) 7.681 12.988 ( -5.780 -12.501 6.866) 15.389 13.911 ( 5.132 3.975 -3.379) 7.318 14.077 ( 7.333 -0.711 -4.989) 8.898 14.710 ( -5.269 -2.505 3.798) 6.961 14.747 ( -1.055 -2.234 1.151) 2.725 ======================= Grid point 66 (34/88) ======================= q-point: ( 0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 3.666 4.242 -20.225) 20.988 1.451 ( 0.009 -1.868 -13.549) 13.678 1.625 ( 6.197 2.008 -14.545) 15.937 1.698 ( 1.959 12.699 -4.867) 13.740 1.900 ( -7.084 8.648 0.854) 11.212 1.952 ( -3.554 5.793 -1.659) 6.996 2.172 ( 4.454 12.889 1.990) 13.781 2.188 ( -4.085 17.280 2.949) 18.000 2.235 ( 3.472 1.958 5.204) 6.555 2.411 ( 3.238 4.435 2.504) 6.036 2.537 ( 5.080 1.857 5.764) 7.904 2.671 ( -2.006 -4.152 -2.431) 5.212 2.743 ( -3.955 1.567 -3.694) 5.633 2.951 ( 1.716 2.130 -5.998) 6.593 3.055 ( 6.080 2.177 1.575) 6.648 3.142 ( 7.456 8.234 3.290) 11.585 3.231 ( 2.125 4.114 2.152) 5.106 3.261 ( 3.108 0.058 4.029) 5.089 3.296 ( 4.056 -2.086 -1.770) 4.893 3.398 ( -4.334 3.475 -2.178) 5.967 3.538 ( -0.093 -0.105 -2.219) 2.224 3.685 ( -1.055 -2.030 4.663) 5.194 3.826 ( -2.046 -7.601 9.297) 12.182 3.868 ( -2.303 -1.731 2.058) 3.540 3.992 ( -3.078 2.461 -0.569) 3.981 4.088 ( 1.551 -8.708 1.830) 9.032 4.232 ( -2.502 -5.200 2.649) 6.350 4.338 ( 5.093 -3.803 -1.054) 6.443 4.405 ( 0.740 -4.296 3.929) 5.869 4.587 ( -5.774 0.217 5.191) 7.768 4.751 ( -0.234 -5.367 -1.612) 5.609 4.831 ( -0.357 -2.390 1.587) 2.891 4.924 ( -1.239 -1.365 -0.066) 1.844 5.056 ( -2.633 5.590 -0.003) 6.179 5.198 ( -1.271 4.664 5.178) 7.083 5.262 ( -2.080 -10.712 -0.872) 10.946 5.373 ( 3.699 1.261 0.170) 3.912 5.495 ( -3.949 -2.003 3.288) 5.515 5.597 ( 1.965 -3.560 1.986) 4.525 5.725 ( 0.612 -1.752 -0.128) 1.860 5.881 ( 1.813 -2.441 -1.318) 3.314 5.962 ( 1.041 -0.673 3.871) 4.065 6.147 ( 3.543 1.934 -2.127) 4.563 6.195 ( -0.650 -5.333 -2.594) 5.966 6.233 ( -0.918 -1.010 -4.470) 4.674 6.327 ( -7.504 -0.980 -0.014) 7.568 6.774 ( 0.032 -4.404 0.106) 4.405 6.819 ( 2.562 -2.821 -2.332) 4.468 6.883 ( -3.388 0.456 -2.441) 4.201 6.997 ( -4.150 -1.744 -0.770) 4.567 7.287 ( -1.240 -1.423 0.535) 1.962 7.378 ( -1.982 -1.088 0.882) 2.427 7.592 ( 2.339 4.461 -7.441) 8.986 7.656 ( 1.488 3.831 -8.491) 9.434 7.927 ( -0.569 8.362 3.772) 9.191 8.091 ( -0.970 0.310 4.108) 4.232 8.121 ( 2.839 -0.655 4.081) 5.015 8.248 ( -1.811 -1.014 -1.027) 2.316 8.301 ( -1.846 -1.272 4.521) 5.047 8.349 ( 2.213 -0.577 0.216) 2.297 8.500 ( 5.955 -0.210 -5.126) 7.860 8.611 ( 1.584 -0.806 3.201) 3.661 8.782 ( -1.204 -2.765 0.893) 3.145 9.001 ( 4.826 -9.600 2.393) 11.008 9.538 ( 0.043 14.827 -1.213) 14.877 9.687 ( 1.726 8.578 -1.573) 8.890 9.998 ( -2.348 5.915 2.669) 6.901 10.046 ( -5.934 2.653 3.459) 7.363 10.483 ( 2.378 11.154 -5.390) 12.614 10.687 ( 8.131 1.471 -3.641) 9.029 11.001 ( -2.835 1.333 0.039) 3.132 11.087 ( -8.069 -1.487 2.795) 8.668 11.160 ( -0.242 -2.112 -1.238) 2.460 11.540 ( 0.253 -3.958 -3.093) 5.030 11.679 ( -0.987 2.629 -0.342) 2.829 11.750 ( -0.896 2.056 0.512) 2.301 12.013 ( 2.556 10.036 0.369) 10.362 12.229 ( 1.488 -1.670 2.251) 3.173 12.841 ( -8.055 -9.647 2.364) 12.788 12.949 ( 6.901 -9.971 5.773) 13.430 14.000 ( 3.970 3.648 -2.520) 5.951 14.182 ( 3.685 -1.353 -2.726) 4.779 14.619 ( -4.151 1.338 -0.254) 4.369 14.730 ( -0.588 -1.700 -0.230) 1.814 ======================= Grid point 67 (35/88) ======================= q-point: (-0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -8.096 5.094 -15.437) 18.160 1.390 ( -0.639 -0.117 -15.376) 15.389 1.688 ( -2.526 2.847 -16.111) 16.555 1.746 ( 2.833 5.023 -9.118) 10.788 1.846 ( 0.753 11.260 -0.586) 11.300 1.924 ( 0.606 13.456 1.752) 13.583 2.037 ( -5.748 8.608 1.525) 10.463 2.241 ( 2.875 11.640 5.085) 13.024 2.371 ( 5.140 3.051 6.919) 9.143 2.454 ( 1.560 4.773 2.127) 5.453 2.516 ( -11.005 -6.149 -5.163) 13.623 2.586 ( -3.615 1.845 1.859) 4.465 2.704 ( -2.639 2.790 -2.516) 4.592 2.968 ( 0.952 1.563 -5.131) 5.448 3.044 ( -5.376 8.322 6.457) 11.826 3.128 ( -8.556 4.492 1.905) 9.850 3.188 ( -5.094 4.397 0.343) 6.738 3.267 ( -1.691 5.254 -0.242) 5.525 3.335 ( 0.486 -0.457 -2.952) 3.026 3.410 ( 4.992 2.184 -0.000) 5.449 3.552 ( 2.819 -3.044 -0.351) 4.163 3.713 ( 1.608 -2.836 6.190) 6.996 3.768 ( -0.937 -3.121 1.897) 3.771 3.863 ( 0.880 -7.087 3.647) 8.019 4.041 ( 6.415 -2.019 3.227) 7.459 4.161 ( -1.902 -11.817 0.582) 11.983 4.189 ( 5.433 0.369 6.374) 8.384 4.389 ( -0.325 -2.447 7.021) 7.443 4.459 ( 1.600 -1.279 0.383) 2.084 4.616 ( 9.585 -4.103 3.044) 10.862 4.733 ( -0.323 -9.464 -3.058) 9.951 4.861 ( 1.241 0.550 3.978) 4.203 4.907 ( -0.508 0.077 -0.660) 0.837 5.044 ( 2.756 7.904 1.909) 8.586 5.186 ( -0.323 3.735 2.799) 4.679 5.212 ( -3.108 -10.996 -2.418) 11.680 5.403 ( -4.793 1.895 -1.416) 5.345 5.407 ( -0.648 -2.622 1.558) 3.118 5.609 ( -0.216 -2.987 2.625) 3.982 5.749 ( 1.321 -0.613 1.271) 1.933 5.890 ( -0.603 -3.668 -0.478) 3.748 5.968 ( -2.382 -5.071 4.304) 7.065 6.126 ( -2.833 -1.369 -2.699) 4.145 6.214 ( -0.259 5.302 -3.122) 6.159 6.252 ( 5.901 -3.964 -3.066) 7.742 6.287 ( 1.671 -1.279 -0.621) 2.195 6.754 ( -1.100 -2.828 -0.166) 3.039 6.846 ( 0.417 -0.173 -4.274) 4.298 6.874 ( 1.941 -5.103 -0.004) 5.460 6.992 ( 3.915 -0.827 -2.439) 4.686 7.256 ( -2.383 -0.881 -2.738) 3.736 7.335 ( -1.754 -1.863 -0.682) 2.648 7.613 ( -0.709 3.605 -6.774) 7.707 7.694 ( 2.752 5.632 -5.572) 8.387 7.886 ( -3.039 8.315 4.773) 10.057 8.041 ( -4.119 1.245 2.751) 5.108 8.145 ( -0.308 -1.709 2.973) 3.443 8.231 ( -1.112 -2.946 2.418) 3.970 8.252 ( -2.479 3.381 0.573) 4.231 8.381 ( 1.073 -0.188 0.591) 1.239 8.585 ( 1.574 -4.485 -2.824) 5.528 8.646 ( 2.158 -0.223 3.905) 4.467 8.736 ( -3.223 -1.061 0.793) 3.484 9.060 ( 0.862 -10.761 3.340) 11.301 9.547 ( 1.189 16.327 -1.420) 16.432 9.703 ( 0.040 11.054 -1.299) 11.130 9.949 ( -2.067 3.820 0.814) 4.419 9.970 ( -2.652 0.928 1.642) 3.254 10.525 ( 2.208 11.105 -3.814) 11.948 10.846 ( 0.877 0.033 -2.260) 2.425 10.864 ( -0.864 3.112 0.749) 3.316 11.068 ( 2.894 -2.512 1.475) 4.107 11.180 ( 2.304 -2.439 -0.723) 3.432 11.528 ( -1.250 -5.751 -3.818) 7.015 11.672 ( 0.297 2.929 -0.259) 2.955 11.732 ( -0.801 2.341 0.401) 2.507 12.097 ( 5.932 12.681 4.315) 14.650 12.225 ( -1.864 -2.209 -1.395) 3.209 12.650 ( -11.208 -6.483 2.125) 13.121 13.099 ( 7.829 -12.130 6.100) 15.673 14.034 ( -1.428 2.906 -1.008) 3.392 14.223 ( 1.490 -2.420 -2.017) 3.485 14.552 ( -2.711 2.911 -2.101) 4.499 14.733 ( 0.888 -2.450 -0.152) 2.610 ======================= Grid point 68 (36/88) ======================= q-point: (-0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -11.280 10.021 -5.102) 15.928 1.409 ( 2.128 -0.219 -13.482) 13.650 1.608 ( -8.996 7.140 -7.892) 13.935 1.695 ( -7.100 8.238 -6.417) 12.627 1.798 ( -2.560 2.070 -13.295) 13.697 1.939 ( 3.553 11.516 -1.931) 12.205 2.030 ( -5.745 4.090 1.005) 7.123 2.244 ( -13.395 -0.333 -4.720) 14.206 2.274 ( -0.160 6.650 5.142) 8.408 2.383 ( -6.326 -2.201 2.917) 7.305 2.406 ( -1.549 7.842 5.363) 9.626 2.549 ( 0.777 1.066 2.046) 2.434 2.635 ( -1.332 10.531 -4.109) 11.382 2.884 ( -6.603 6.474 4.106) 10.118 2.963 ( -1.230 5.542 4.212) 7.069 3.070 ( -3.392 6.416 -1.061) 7.335 3.094 ( -1.664 3.930 5.507) 6.967 3.185 ( -4.446 3.219 -1.729) 5.755 3.357 ( 1.697 -0.512 -3.767) 4.163 3.546 ( 6.380 1.506 -0.176) 6.557 3.606 ( 1.943 -3.048 2.195) 4.229 3.706 ( 0.099 -8.132 1.071) 8.202 3.850 ( 5.827 -3.258 2.562) 7.151 3.895 ( 2.419 -4.024 5.533) 7.256 4.085 ( -0.130 -5.090 1.864) 5.423 4.196 ( 4.889 -5.959 5.665) 9.566 4.272 ( 1.713 -1.107 5.432) 5.802 4.346 ( -3.476 -7.642 6.151) 10.408 4.551 ( 6.292 2.187 -1.644) 6.861 4.751 ( 3.025 -5.600 -0.786) 6.413 4.773 ( 5.377 -3.494 -2.209) 6.782 4.856 ( -1.229 0.499 3.124) 3.394 4.883 ( -1.639 0.528 -1.904) 2.568 5.146 ( -2.732 -11.354 -5.311) 12.829 5.168 ( 1.899 5.395 0.426) 5.735 5.203 ( 6.478 6.536 3.510) 9.849 5.311 ( -2.269 1.433 -0.542) 2.737 5.405 ( 0.112 -2.101 0.850) 2.269 5.587 ( -2.524 -3.591 1.668) 4.695 5.764 ( -0.274 -3.757 1.358) 4.004 5.860 ( -3.349 -5.375 0.196) 6.336 5.885 ( -3.464 -7.272 -0.792) 8.093 6.121 ( 1.799 2.394 -0.013) 2.995 6.185 ( -2.491 5.146 -1.952) 6.041 6.322 ( 2.260 -5.989 -0.536) 6.424 6.408 ( 8.967 0.923 -1.053) 9.076 6.746 ( 0.133 -2.159 -0.915) 2.349 6.898 ( 3.892 0.875 -4.465) 5.987 6.899 ( 1.370 -3.737 -0.997) 4.103 7.096 ( 4.935 -0.494 -4.462) 6.671 7.202 ( -0.963 0.623 -5.556) 5.673 7.322 ( -0.027 -3.465 -0.671) 3.529 7.573 ( -2.122 5.138 -1.731) 5.822 7.742 ( 2.118 2.803 -1.835) 3.963 7.831 ( -2.978 7.340 5.244) 9.500 7.958 ( -4.150 2.973 1.953) 5.465 8.133 ( -6.727 2.589 5.966) 9.357 8.156 ( 1.188 -1.354 -1.593) 2.405 8.248 ( -0.131 -2.835 -0.046) 2.838 8.389 ( -0.411 -1.210 1.043) 1.650 8.556 ( -3.821 -3.228 2.019) 5.394 8.619 ( -4.782 -4.799 2.800) 7.331 8.725 ( 1.263 2.358 -0.162) 2.680 9.024 ( -4.687 -10.248 4.563) 12.157 9.575 ( 1.154 14.925 0.235) 14.971 9.686 ( -1.847 11.813 0.229) 11.959 9.933 ( 0.026 1.416 -1.520) 2.078 9.963 ( 3.097 2.855 -4.064) 5.853 10.554 ( 0.408 9.914 -3.467) 10.511 10.721 ( -4.913 3.148 2.477) 6.339 10.986 ( 5.394 1.717 -2.824) 6.326 11.182 ( 8.530 -2.663 2.836) 9.375 11.247 ( 4.992 -3.055 -0.211) 5.856 11.498 ( -1.357 -6.149 -2.827) 6.903 11.685 ( 0.757 3.035 -0.634) 3.191 11.723 ( -0.121 2.734 0.079) 2.737 12.160 ( -4.387 -2.532 -4.610) 6.849 12.215 ( 3.690 6.707 6.700) 10.174 12.456 ( -6.861 3.291 -1.007) 7.676 13.233 ( 5.656 -12.517 6.956) 15.396 13.932 ( -8.316 3.892 -1.854) 9.367 14.221 ( -3.499 -5.090 -4.926) 7.901 14.547 ( 3.509 1.155 2.381) 4.395 14.756 ( 1.253 -4.002 1.384) 4.416 ======================= Grid point 69 (37/88) ======================= q-point: (-0.14 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -4.724 14.168 5.135) 15.793 1.197 ( -25.179 11.685 4.607) 28.138 1.484 ( 1.534 0.471 -5.810) 6.028 1.611 ( -5.559 -1.808 -2.202) 6.247 1.665 ( -10.190 -1.421 -10.696) 14.841 1.827 ( -4.059 2.355 -10.694) 11.679 2.008 ( -3.023 12.440 -0.100) 12.803 2.098 ( 3.224 7.286 -1.331) 8.078 2.244 ( -2.097 3.158 -0.926) 3.903 2.375 ( 0.837 5.022 -0.869) 5.165 2.402 ( 0.032 7.732 6.507) 10.106 2.538 ( 1.562 12.331 -6.822) 14.178 2.666 ( 0.993 3.206 7.106) 7.859 2.816 ( -1.333 2.791 -0.052) 3.093 2.952 ( -4.971 4.341 4.594) 8.041 2.986 ( 1.317 2.955 -2.522) 4.102 3.094 ( -0.343 8.814 6.700) 11.077 3.134 ( -1.402 1.011 -0.102) 1.732 3.363 ( -1.103 -1.279 -3.278) 3.687 3.550 ( -0.955 -8.110 0.750) 8.201 3.657 ( -4.445 -10.115 2.690) 11.371 3.738 ( 7.087 3.169 -0.752) 7.799 3.927 ( 2.579 -2.961 3.254) 5.100 3.968 ( 2.105 -1.230 1.752) 3.002 4.102 ( 1.364 0.386 3.140) 3.445 4.247 ( -2.701 -5.635 4.869) 7.922 4.266 ( 1.095 -1.420 9.068) 9.244 4.333 ( 1.943 -10.008 1.080) 10.251 4.626 ( 1.670 3.976 -1.686) 4.630 4.806 ( 1.396 -1.495 1.239) 2.392 4.825 ( 0.011 0.303 -2.158) 2.179 4.854 ( 2.029 -3.850 -5.423) 6.953 4.901 ( 4.499 0.412 -1.093) 4.648 5.102 ( -3.472 0.640 -3.659) 5.085 5.112 ( -2.094 -9.852 -2.189) 10.307 5.323 ( 5.452 3.833 1.094) 6.753 5.374 ( 3.802 1.864 0.031) 4.235 5.420 ( 2.043 -1.224 3.052) 3.871 5.520 ( -3.412 -5.290 0.559) 6.320 5.707 ( -5.672 -1.680 -0.724) 5.960 5.790 ( -2.635 -5.058 -0.115) 5.704 5.875 ( 1.300 -8.083 -1.684) 8.358 6.129 ( -3.116 3.434 -1.843) 4.990 6.181 ( 4.109 2.620 0.094) 4.875 6.356 ( 1.189 -6.011 -0.653) 6.162 6.572 ( 7.615 -0.583 0.567) 7.659 6.735 ( -1.877 1.054 -1.780) 2.794 6.892 ( -0.122 4.065 -5.694) 6.997 6.980 ( 2.348 -2.259 -2.238) 3.953 7.114 ( 1.182 -0.597 -5.374) 5.535 7.259 ( 2.401 0.692 -1.725) 3.036 7.320 ( -0.311 -1.285 -0.613) 1.457 7.595 ( 5.947 3.621 2.168) 7.292 7.757 ( -1.450 1.258 3.675) 4.146 7.781 ( -2.325 5.131 3.119) 6.439 7.914 ( 0.333 4.169 -0.354) 4.197 7.988 ( -7.594 2.901 7.476) 11.044 8.202 ( 2.826 -0.707 -1.593) 3.320 8.247 ( 0.492 -4.838 0.467) 4.886 8.340 ( -5.486 -6.307 3.203) 8.952 8.479 ( -3.295 0.823 1.523) 3.722 8.538 ( -2.947 -3.862 2.491) 5.459 8.726 ( -1.276 1.347 1.086) 2.150 8.910 ( -6.767 -7.510 4.346) 11.004 9.576 ( -0.814 10.532 1.602) 10.685 9.637 ( -2.984 10.554 1.571) 11.079 9.955 ( 2.192 3.963 -3.536) 5.745 10.064 ( 6.625 3.038 -7.665) 10.577 10.526 ( -2.575 5.302 -1.507) 6.084 10.677 ( -0.633 6.204 -3.415) 7.110 11.088 ( 5.448 3.439 -1.610) 6.640 11.315 ( 3.650 -2.556 -0.364) 4.471 11.375 ( 7.600 -3.030 5.810) 10.035 11.523 ( 5.803 -4.623 -1.965) 7.676 11.686 ( -0.845 2.778 0.215) 2.912 11.725 ( 0.239 2.716 -0.214) 2.735 12.054 ( -6.839 -3.739 -6.457) 10.121 12.143 ( -7.346 -4.610 3.810) 9.472 12.496 ( 7.397 14.717 1.241) 16.518 13.302 ( 0.683 -12.052 3.769) 12.646 13.768 ( -7.124 5.424 -2.774) 9.374 14.072 ( -10.382 -2.429 -8.389) 13.567 14.667 ( 6.815 -5.127 7.314) 11.235 14.781 ( 1.572 -6.329 5.203) 8.342 ======================= Grid point 70 (38/88) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -6.391 13.672 3.428) 15.476 1.223 ( 0.809 7.439 1.372) 7.608 1.331 ( 2.297 -1.478 9.745) 10.121 1.493 ( 8.760 -10.263 4.657) 14.274 1.611 ( 0.987 3.309 -15.308) 15.693 1.713 ( -0.565 -6.264 -17.828) 18.905 2.127 ( 1.370 3.258 -3.226) 4.785 2.192 ( 1.011 -2.432 -2.276) 3.481 2.434 ( 0.393 7.961 2.646) 8.398 2.479 ( 0.519 2.980 3.473) 4.605 2.594 ( 1.074 9.152 -0.543) 9.231 2.703 ( -0.204 -1.036 0.866) 1.366 2.834 ( 1.941 10.026 -0.659) 10.233 2.898 ( -2.155 10.750 2.121) 11.167 2.925 ( -2.116 1.345 2.403) 3.473 3.045 ( -0.704 -1.180 -2.364) 2.734 3.082 ( -1.222 -1.263 0.341) 1.790 3.157 ( 1.961 -5.253 -1.387) 5.776 3.273 ( -4.353 2.538 1.219) 5.184 3.376 ( -1.799 -7.992 5.656) 9.955 3.611 ( 4.882 5.417 1.279) 7.403 3.755 ( -2.088 -6.174 5.502) 8.529 3.853 ( -1.709 -0.733 0.358) 1.894 3.925 ( -4.036 -5.274 3.489) 7.502 4.153 ( 0.709 1.052 2.020) 2.385 4.201 ( 0.120 -2.859 0.899) 2.999 4.313 ( -1.133 12.129 2.054) 12.354 4.352 ( -0.025 7.576 4.582) 8.854 4.661 ( -1.004 -12.991 -0.689) 13.048 4.715 ( -3.757 -2.823 -0.809) 4.768 4.759 ( 2.013 -5.222 -1.035) 5.691 4.815 ( 0.620 -6.071 -5.375) 8.132 4.879 ( 4.028 0.490 -1.790) 4.435 4.934 ( 1.036 -4.255 -1.679) 4.690 5.139 ( -0.247 4.362 -2.033) 4.819 5.224 ( -1.917 -5.304 -0.308) 5.648 5.456 ( 0.161 4.477 0.899) 4.569 5.510 ( 2.205 -0.656 4.068) 4.674 5.575 ( -1.666 3.896 -0.477) 4.264 5.621 ( 0.948 0.450 -3.834) 3.975 5.701 ( 0.975 -1.557 0.348) 1.870 5.764 ( 4.174 -7.004 2.092) 8.417 6.141 ( -2.616 4.623 -5.064) 7.339 6.213 ( -0.621 -3.202 -4.031) 5.185 6.370 ( 1.061 4.809 1.928) 5.289 6.508 ( 0.002 -8.187 2.223) 8.484 6.807 ( -2.329 4.529 -3.216) 6.023 6.884 ( -2.582 -3.779 -1.044) 4.695 7.080 ( 5.941 5.374 -3.790) 8.862 7.158 ( 5.727 -2.496 -3.202) 7.020 7.255 ( -3.460 1.982 -1.046) 4.123 7.297 ( -2.871 -1.392 -0.272) 3.202 7.761 ( 0.665 2.441 -0.599) 2.600 7.785 ( 3.215 -0.032 -0.467) 3.248 7.859 ( 2.746 5.329 8.813) 10.659 7.908 ( -5.682 2.788 8.233) 10.385 7.972 ( 3.198 -1.338 2.497) 4.272 8.053 ( -6.892 -7.017 5.503) 11.271 8.198 ( 1.367 0.341 -0.718) 1.582 8.241 ( 3.329 -3.782 -0.980) 5.132 8.463 ( -0.376 2.205 1.177) 2.527 8.497 ( 0.769 -1.269 0.126) 1.489 8.708 ( -2.082 1.060 -0.096) 2.339 8.740 ( -2.405 -2.420 -0.495) 3.447 9.673 ( -1.359 3.493 1.904) 4.204 9.694 ( -1.666 1.565 2.404) 3.317 10.143 ( 3.323 6.657 -3.697) 8.309 10.202 ( 3.838 0.135 -4.107) 5.623 10.577 ( -2.222 6.729 -2.579) 7.542 10.692 ( -2.192 -3.059 -6.874) 7.837 11.223 ( 0.522 2.083 -1.409) 2.568 11.250 ( -1.413 -1.896 -0.357) 2.392 11.575 ( 8.101 4.210 5.830) 10.832 11.621 ( 6.835 -0.167 0.877) 6.893 11.692 ( -0.161 0.084 -0.351) 0.395 11.730 ( -3.834 -2.081 0.585) 4.402 11.881 ( -3.044 0.709 -0.318) 3.142 11.953 ( -0.960 -6.148 0.488) 6.242 12.794 ( -1.767 10.591 1.152) 10.799 13.012 ( -5.200 -12.187 1.044) 13.291 13.822 ( 0.890 5.062 -3.151) 6.029 13.899 ( -1.587 -2.590 -5.703) 6.461 14.680 ( 2.051 -1.526 4.702) 5.352 14.700 ( 0.670 -3.330 4.127) 5.345 ======================= Grid point 71 (39/88) ======================= q-point: ( 0.14 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 8.565 11.580 -7.910) 16.432 1.272 ( 5.909 -2.945 -10.592) 12.481 1.568 ( 4.660 4.960 -12.129) 13.908 1.614 ( 15.071 4.678 2.053) 15.914 1.710 ( 2.761 -3.612 -10.653) 11.582 1.816 ( 17.866 -9.287 12.955) 23.943 2.157 ( 1.882 3.505 0.028) 3.978 2.222 ( 2.592 -2.142 0.492) 3.398 2.421 ( -1.868 7.210 0.073) 7.448 2.478 ( -3.660 1.290 2.634) 4.691 2.557 ( -0.903 7.899 1.246) 8.048 2.628 ( -3.908 0.447 2.315) 4.564 2.881 ( 0.982 7.716 -2.047) 8.043 2.890 ( 1.628 10.984 3.090) 11.526 2.966 ( 5.289 6.748 -1.191) 8.656 3.055 ( 1.355 0.971 -2.941) 3.380 3.078 ( 1.034 -5.308 0.307) 5.417 3.158 ( -4.240 -2.002 -4.532) 6.522 3.270 ( 5.346 2.087 6.036) 8.329 3.378 ( 1.806 -7.710 3.163) 8.527 3.666 ( -5.208 0.065 5.164) 7.335 3.679 ( 1.362 -0.414 2.746) 3.093 3.797 ( -5.361 -1.452 0.575) 5.584 3.837 ( -2.920 -6.895 -0.782) 7.529 4.148 ( -2.770 1.623 2.906) 4.330 4.167 ( -3.788 0.630 3.175) 4.983 4.280 ( -1.512 5.011 1.429) 5.425 4.329 ( -1.840 6.111 2.631) 6.903 4.581 ( -6.890 -4.710 -2.155) 8.620 4.647 ( -2.433 -10.215 -0.073) 10.501 4.782 ( 0.948 0.278 -2.379) 2.576 4.831 ( 1.273 -3.614 -2.151) 4.394 4.901 ( -3.176 0.856 -0.804) 3.386 4.994 ( 2.107 -11.054 -0.661) 11.273 5.185 ( 4.907 1.994 -0.583) 5.329 5.225 ( 4.241 -2.017 -0.351) 4.709 5.427 ( -2.853 5.886 1.460) 6.702 5.482 ( -4.525 0.977 1.855) 4.987 5.545 ( -0.253 1.878 2.060) 2.799 5.636 ( -0.376 -5.488 -3.129) 6.329 5.766 ( 4.187 3.061 3.014) 5.999 5.859 ( 4.587 -6.299 3.705) 8.628 6.100 ( -0.856 6.100 -6.514) 8.965 6.193 ( -0.909 -3.952 -5.696) 6.992 6.361 ( -2.339 4.709 2.670) 5.898 6.492 ( -1.819 -7.692 2.316) 8.236 6.748 ( -3.081 3.119 -3.092) 5.365 6.811 ( -4.248 -3.605 -1.952) 5.904 7.120 ( -4.224 4.142 -2.144) 6.292 7.174 ( -3.892 -1.704 -4.631) 6.285 7.266 ( 3.065 0.897 1.735) 3.635 7.284 ( 4.888 -1.133 -0.622) 5.056 7.701 ( -4.607 3.372 -1.057) 5.806 7.743 ( -4.948 -0.815 -1.072) 5.128 7.874 ( 2.826 5.266 3.888) 7.130 7.965 ( 2.038 -4.088 5.788) 7.374 8.035 ( 7.456 2.708 3.300) 8.591 8.107 ( 7.590 -3.657 3.823) 9.252 8.217 ( 0.443 0.872 0.408) 1.060 8.278 ( 0.319 -4.727 1.793) 5.065 8.469 ( 0.724 3.503 0.794) 3.664 8.522 ( 1.533 -1.927 0.574) 2.528 8.700 ( 1.642 0.373 -0.514) 1.761 8.727 ( 1.087 -2.281 -1.635) 3.009 9.671 ( 0.959 3.265 0.492) 3.439 9.687 ( 0.920 1.905 0.956) 2.321 10.181 ( 0.408 7.001 -0.429) 7.026 10.248 ( 0.813 -0.382 -0.458) 1.008 10.558 ( 0.659 5.666 -3.745) 6.824 10.649 ( -1.706 -1.604 -8.216) 8.543 11.189 ( -3.813 3.039 -0.953) 4.969 11.213 ( -2.813 -0.781 0.518) 2.965 11.471 ( -8.469 3.817 4.885) 10.496 11.561 ( -9.530 -4.322 1.989) 10.652 11.756 ( 2.327 1.551 -0.163) 2.801 11.763 ( 1.474 1.007 -0.348) 1.819 11.962 ( 9.142 -0.410 1.004) 9.206 12.006 ( 5.010 -3.999 -1.589) 6.605 12.747 ( -1.865 5.444 2.582) 6.307 12.892 ( -6.286 -9.654 1.201) 11.582 13.887 ( 5.048 3.519 -3.322) 6.993 13.936 ( 5.118 -1.281 -5.976) 7.971 14.705 ( 0.271 -1.708 2.321) 2.895 14.706 ( -0.205 -2.316 5.068) 5.576 ======================= Grid point 72 (40/88) ======================= q-point: ( 0.29 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 8.206 6.573 -14.793) 18.149 1.378 ( 4.556 -1.747 -15.419) 16.173 1.606 ( 3.447 4.875 -19.538) 20.430 1.722 ( 2.940 -5.867 -14.408) 15.833 1.962 ( 11.946 6.961 7.770) 15.860 2.083 ( 4.945 -4.173 6.732) 9.338 2.205 ( 0.960 3.758 4.293) 5.786 2.248 ( -0.943 0.834 1.907) 2.285 2.395 ( 2.832 5.134 1.172) 5.979 2.448 ( 4.713 0.622 3.930) 6.168 2.585 ( 0.749 3.276 1.774) 3.800 2.601 ( -0.031 2.605 2.409) 3.548 2.907 ( 2.329 5.210 -2.515) 6.237 2.947 ( 1.796 3.173 -0.126) 3.648 3.011 ( 2.559 11.317 0.522) 11.614 3.062 ( 1.135 -0.607 -3.687) 3.905 3.145 ( 4.808 -0.726 2.797) 5.609 3.164 ( 5.877 -2.841 -1.224) 6.642 3.333 ( -0.332 5.782 5.211) 7.790 3.445 ( 5.195 -5.662 0.096) 7.685 3.600 ( -3.053 0.548 1.260) 3.348 3.635 ( -4.179 -6.483 6.782) 10.271 3.749 ( -1.255 -0.238 1.023) 1.637 3.799 ( 0.598 -5.077 1.521) 5.334 4.056 ( -5.140 2.418 2.711) 6.294 4.077 ( -5.555 0.546 2.462) 6.100 4.247 ( -2.494 1.426 0.367) 2.897 4.301 ( -1.579 0.859 -0.038) 1.798 4.459 ( -4.960 2.878 -1.622) 5.960 4.604 ( -2.325 -11.487 0.043) 11.720 4.765 ( -5.272 4.216 1.202) 6.857 4.821 ( -0.923 1.777 0.753) 2.139 4.858 ( 0.974 -3.869 -1.645) 4.316 4.967 ( -3.182 -14.922 1.391) 15.321 5.293 ( 4.558 3.596 2.162) 6.196 5.336 ( 2.290 1.433 0.183) 2.707 5.357 ( -3.899 5.655 0.934) 6.932 5.430 ( 1.049 -1.212 2.950) 3.358 5.537 ( 0.522 0.838 2.326) 2.527 5.620 ( -0.070 -6.624 -1.594) 6.813 5.827 ( 1.927 2.288 3.146) 4.341 5.908 ( 0.361 -5.385 4.776) 7.207 6.120 ( 2.860 4.269 -6.847) 8.561 6.178 ( -0.687 -2.424 -5.742) 6.270 6.296 ( -3.723 5.083 0.933) 6.370 6.422 ( -5.964 -6.520 1.637) 8.987 6.709 ( -0.413 0.588 -1.778) 1.918 6.746 ( -2.126 -3.269 -1.408) 4.146 7.017 ( -5.543 3.156 -1.841) 6.639 7.075 ( -5.781 -2.639 -2.252) 6.742 7.306 ( 0.491 2.443 0.287) 2.509 7.355 ( 1.324 -2.190 0.810) 2.684 7.646 ( -0.504 2.717 -4.547) 5.321 7.674 ( -1.012 -0.275 -5.331) 5.434 7.973 ( 6.300 4.130 3.287) 8.219 8.030 ( 4.243 -2.159 4.858) 6.802 8.144 ( 1.255 3.941 2.775) 4.980 8.218 ( 3.045 -2.157 0.262) 3.741 8.236 ( 2.221 -1.454 0.814) 2.777 8.273 ( 0.928 -3.188 1.403) 3.605 8.488 ( 1.403 3.861 0.500) 4.139 8.551 ( 1.540 -2.430 1.541) 3.264 8.746 ( 2.141 -0.109 -0.323) 2.168 8.778 ( 4.089 -3.493 -0.827) 5.441 9.701 ( 1.929 4.184 -0.772) 4.672 9.725 ( 2.702 1.720 -0.327) 3.220 10.155 ( -2.937 6.069 2.838) 7.316 10.217 ( -4.168 -0.062 3.196) 5.253 10.604 ( 4.312 4.271 -5.373) 8.106 10.636 ( 0.949 2.213 -7.698) 8.066 11.097 ( -4.668 4.467 0.925) 6.527 11.156 ( -3.039 -1.476 0.643) 3.439 11.301 ( -9.611 3.295 1.880) 10.332 11.433 ( -3.853 -8.073 -0.929) 8.994 11.753 ( -0.755 2.552 -0.787) 2.775 11.781 ( -0.039 -0.040 -0.670) 0.672 12.087 ( 4.018 2.811 0.015) 4.904 12.123 ( 6.574 -1.497 3.401) 7.551 12.741 ( 0.728 -1.251 3.323) 3.624 12.791 ( -4.764 -6.956 4.155) 9.399 13.988 ( 5.449 3.912 -4.197) 7.912 14.049 ( 6.130 -2.349 -4.808) 8.138 14.687 ( -1.591 0.054 2.009) 2.563 14.706 ( -0.426 -1.836 1.147) 2.207 ======================= Grid point 73 (41/88) ======================= q-point: ( 0.43 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 1.037 2.679 -19.947) 20.153 1.416 ( -0.115 -1.833 -17.425) 17.521 1.697 ( 6.093 5.307 -15.101) 17.127 1.785 ( 3.482 -2.145 -13.420) 14.030 2.021 ( -4.024 4.015 -0.458) 5.702 2.041 ( -4.226 3.366 1.140) 5.522 2.247 ( 4.670 1.089 6.979) 8.468 2.276 ( 1.025 -1.662 6.536) 6.821 2.441 ( 0.031 6.222 -0.788) 6.272 2.533 ( -1.799 -4.320 -0.076) 4.680 2.562 ( 0.940 10.344 4.070) 11.156 2.625 ( 1.906 1.534 5.069) 5.628 2.891 ( -1.661 9.917 -5.832) 11.624 2.972 ( 0.555 0.654 -5.135) 5.206 3.098 ( 5.421 2.600 2.036) 6.347 3.164 ( 4.320 -4.297 3.105) 6.838 3.250 ( 3.750 -1.197 3.714) 5.412 3.276 ( 5.117 -1.800 1.392) 5.600 3.337 ( 2.715 7.862 2.190) 8.601 3.506 ( -1.336 -0.534 -3.998) 4.249 3.541 ( 0.557 -3.855 3.808) 5.447 3.566 ( -4.084 -2.618 3.855) 6.197 3.729 ( -0.754 1.673 4.224) 4.605 3.813 ( -1.783 -5.018 5.575) 7.710 3.997 ( -2.987 0.194 -1.131) 3.200 4.017 ( 0.688 -0.985 -0.449) 1.283 4.197 ( -0.917 3.772 1.127) 4.042 4.295 ( 4.277 -2.966 -1.600) 5.445 4.410 ( -0.514 4.511 2.804) 5.336 4.549 ( -3.822 -9.993 1.802) 10.850 4.649 ( -4.911 6.341 4.132) 9.022 4.830 ( 0.228 -1.276 -0.419) 1.363 4.877 ( 1.124 -2.782 0.163) 3.005 4.923 ( -0.747 -14.545 2.987) 14.868 5.259 ( -3.842 8.167 1.119) 9.095 5.303 ( -1.795 5.190 3.952) 6.766 5.365 ( -0.461 -2.523 2.118) 3.326 5.427 ( -2.169 -5.066 3.974) 6.794 5.605 ( 4.273 3.502 -0.143) 5.527 5.684 ( 6.124 -3.459 -0.937) 7.095 5.834 ( -1.517 0.148 2.573) 2.990 5.899 ( -1.274 -5.001 3.931) 6.487 6.143 ( -2.388 0.063 -3.685) 4.392 6.158 ( 0.037 -0.934 -3.051) 3.191 6.267 ( 1.157 2.894 -3.363) 4.585 6.308 ( -3.805 -1.330 -1.176) 4.199 6.714 ( 0.040 -1.171 -0.022) 1.172 6.739 ( 1.224 -3.612 -0.387) 3.833 6.925 ( -3.484 2.976 -2.390) 5.168 6.975 ( -3.599 -1.878 -2.458) 4.746 7.291 ( -1.595 1.933 -0.406) 2.538 7.341 ( -2.139 -2.682 0.419) 3.456 7.665 ( 2.029 3.167 -7.259) 8.175 7.698 ( 2.909 0.175 -7.199) 7.766 8.059 ( 0.449 4.029 5.828) 7.099 8.085 ( 0.149 -0.440 7.661) 7.675 8.134 ( 0.186 2.261 -0.519) 2.327 8.198 ( -1.968 -3.565 -0.719) 4.135 8.298 ( 2.379 0.825 -0.472) 2.562 8.325 ( 2.896 -1.737 -0.179) 3.382 8.523 ( 2.018 2.595 -0.814) 3.386 8.581 ( 1.419 -2.846 2.241) 3.891 8.773 ( 0.760 2.059 0.310) 2.217 8.851 ( 3.167 -6.039 0.605) 6.846 9.736 ( 1.797 5.646 -1.847) 6.206 9.775 ( 2.362 1.298 -1.008) 2.878 10.084 ( -4.459 4.076 4.068) 7.283 10.119 ( -5.352 1.756 4.048) 6.936 10.669 ( 2.895 6.347 -6.077) 9.252 10.714 ( 6.689 0.630 -5.324) 8.572 11.036 ( -2.216 2.289 0.169) 3.191 11.077 ( -6.170 -1.117 1.519) 6.452 11.167 ( -2.758 6.340 -0.932) 6.976 11.378 ( -2.274 -12.169 -3.095) 12.761 11.740 ( -0.523 3.137 -0.628) 3.241 11.773 ( -0.509 -0.067 -0.802) 0.952 12.166 ( 4.118 5.005 4.724) 8.020 12.211 ( 2.384 -0.596 6.280) 6.744 12.703 ( -4.801 -2.392 3.889) 6.625 12.772 ( 2.634 -8.006 1.915) 8.643 14.075 ( 3.450 4.025 -3.296) 6.243 14.142 ( 3.448 -2.881 -3.316) 5.585 14.652 ( -1.995 2.076 -0.548) 2.931 14.693 ( -0.866 -2.150 -0.481) 2.367 ======================= Grid point 74 (42/88) ======================= q-point: (-0.43 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -3.635 2.730 -16.206) 16.831 1.382 ( -0.852 -0.745 -16.688) 16.727 1.750 ( -2.544 4.222 -18.334) 18.985 1.797 ( 0.127 0.438 -17.232) 17.238 1.990 ( -1.196 2.754 1.056) 3.183 2.000 ( 2.323 -0.145 1.164) 2.602 2.219 ( -5.015 6.153 4.302) 9.029 2.305 ( 1.292 -2.998 3.002) 4.435 2.436 ( -9.019 -0.364 -1.460) 9.144 2.457 ( -1.821 -0.727 2.985) 3.571 2.552 ( -0.513 9.160 5.791) 10.849 2.613 ( -4.018 1.235 4.625) 6.250 2.877 ( 0.116 11.168 -5.820) 12.594 2.995 ( 2.021 0.311 -4.688) 5.115 3.136 ( -1.339 1.469 2.408) 3.122 3.190 ( -2.856 -3.495 0.507) 4.542 3.251 ( -3.750 5.547 5.404) 8.604 3.296 ( -0.849 -1.515 3.438) 3.852 3.379 ( 0.191 4.254 2.233) 4.808 3.479 ( -0.417 -1.477 1.851) 2.404 3.518 ( 2.415 3.139 0.430) 3.984 3.613 ( 3.181 -7.027 3.370) 8.418 3.723 ( 0.710 -0.161 3.495) 3.570 3.760 ( -3.272 -2.724 2.087) 4.742 3.964 ( 2.571 -3.006 0.843) 4.044 3.993 ( -1.606 -5.206 -1.055) 5.549 4.286 ( 5.516 8.804 2.788) 10.757 4.418 ( 1.002 2.561 3.571) 4.507 4.459 ( 5.216 0.979 2.428) 5.836 4.508 ( 5.124 -8.229 1.125) 9.758 4.610 ( 1.418 1.959 1.312) 2.751 4.814 ( -1.339 -10.759 -0.879) 10.878 4.897 ( 0.598 -0.069 1.367) 1.493 4.937 ( 0.778 -7.939 2.816) 8.459 5.226 ( 0.857 7.996 1.385) 8.161 5.279 ( -0.605 4.512 2.586) 5.236 5.349 ( -0.851 -3.318 1.507) 3.743 5.390 ( -1.324 -3.856 3.005) 5.065 5.636 ( -1.408 6.064 1.036) 6.311 5.762 ( -0.452 2.010 0.361) 2.092 5.785 ( -2.097 -7.359 1.574) 7.812 5.842 ( -4.514 -6.016 1.232) 7.621 6.119 ( 0.528 0.932 -2.517) 2.736 6.162 ( 2.223 -3.650 -2.714) 5.063 6.301 ( 1.584 2.756 -2.175) 3.852 6.313 ( 3.243 1.247 -1.305) 3.712 6.710 ( -0.079 -0.402 0.386) 0.563 6.753 ( 0.524 -4.585 0.435) 4.636 6.913 ( 2.571 3.868 -3.752) 5.970 6.974 ( 3.541 -2.012 -3.386) 5.297 7.255 ( -2.093 1.049 -2.043) 3.107 7.291 ( -2.638 -2.442 -1.655) 3.958 7.693 ( 0.576 4.335 -6.307) 7.675 7.746 ( 1.830 -0.368 -5.945) 6.232 8.011 ( -3.749 4.060 6.434) 8.482 8.056 ( -2.799 -0.625 5.301) 6.027 8.125 ( -1.506 1.002 -0.678) 1.931 8.175 ( -1.197 -2.849 0.017) 3.090 8.316 ( -0.640 3.050 0.872) 3.236 8.362 ( 0.730 -1.743 0.909) 2.097 8.546 ( -0.028 0.430 -0.394) 0.584 8.591 ( -0.951 -3.732 2.331) 4.502 8.782 ( 0.298 4.405 0.511) 4.444 8.889 ( 0.602 -7.176 1.124) 7.288 9.770 ( 1.696 6.094 -1.725) 6.557 9.807 ( 0.798 1.396 -0.408) 1.659 10.008 ( -2.928 3.530 2.068) 5.030 10.039 ( -2.926 2.231 1.742) 4.071 10.723 ( 2.584 8.329 -4.335) 9.739 10.824 ( 2.454 -2.793 -3.390) 5.031 10.959 ( -1.798 6.175 -0.618) 6.461 11.029 ( 0.642 -1.850 0.640) 2.060 11.168 ( 1.878 3.275 -0.578) 3.819 11.345 ( -0.950 -12.309 -3.372) 12.798 11.735 ( 0.117 3.160 -0.775) 3.256 11.766 ( -0.191 0.378 -0.918) 1.011 12.204 ( -1.886 1.068 4.491) 4.987 12.238 ( 0.655 0.097 7.552) 7.581 12.633 ( -1.531 7.119 1.679) 7.473 12.851 ( 5.472 -13.449 4.154) 15.102 14.099 ( -1.308 3.795 -2.385) 4.669 14.169 ( -0.528 -3.334 -2.722) 4.336 14.614 ( -1.756 3.496 -1.602) 4.228 14.679 ( -0.487 -3.209 -0.900) 3.368 ======================= Grid point 75 (43/88) ======================= q-point: (-0.29 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -5.756 8.577 -6.801) 12.367 1.370 ( -0.035 -4.065 -10.220) 10.999 1.668 ( -3.349 4.099 -20.775) 21.439 1.762 ( -3.262 -4.545 -22.310) 23.001 1.875 ( -15.620 7.621 2.081) 17.504 1.991 ( -9.120 -3.934 -0.252) 9.936 2.170 ( -3.355 5.770 2.166) 7.017 2.226 ( -9.482 -1.419 0.322) 9.593 2.280 ( -2.208 1.431 -0.483) 2.675 2.364 ( 4.525 -3.365 0.132) 5.640 2.567 ( 0.118 6.517 8.096) 10.394 2.592 ( 0.349 2.194 7.683) 7.998 2.868 ( -0.976 13.126 -4.076) 13.779 3.004 ( -1.289 3.020 -3.005) 4.451 3.073 ( -4.815 -0.829 1.808) 5.209 3.083 ( -4.731 2.490 -3.853) 6.590 3.193 ( -2.801 4.928 6.299) 8.474 3.271 ( -2.269 -5.804 0.486) 6.250 3.398 ( 2.321 13.254 4.181) 14.090 3.466 ( -2.846 -2.289 6.170) 7.170 3.534 ( -3.895 -7.035 3.234) 8.667 3.683 ( 5.203 -7.185 3.565) 9.561 3.730 ( 2.556 -1.040 0.988) 2.931 3.799 ( 6.569 -3.181 1.647) 7.482 4.042 ( 5.908 -0.062 1.901) 6.207 4.076 ( 7.199 -4.227 2.807) 8.808 4.314 ( -1.308 6.930 2.507) 7.485 4.373 ( -2.634 6.109 5.591) 8.691 4.560 ( 3.393 -4.108 0.127) 5.329 4.619 ( 5.828 -3.649 -2.396) 7.282 4.725 ( 6.679 -2.147 0.165) 7.018 4.795 ( -0.317 -10.383 -2.219) 10.622 4.892 ( -0.878 0.669 -0.117) 1.110 4.921 ( -2.025 -4.369 -0.399) 4.832 5.255 ( -1.174 3.561 -1.790) 4.155 5.303 ( 1.169 -0.399 -0.006) 1.235 5.327 ( 1.779 3.748 4.239) 5.931 5.397 ( 1.697 -1.466 3.021) 3.763 5.574 ( -4.059 3.839 2.588) 6.158 5.690 ( -3.466 -5.765 0.996) 6.800 5.752 ( -2.253 -1.919 -0.900) 3.093 5.786 ( -2.079 -3.988 -1.460) 4.728 6.151 ( 2.345 1.965 -2.958) 4.256 6.208 ( 1.683 -3.988 -2.604) 5.051 6.314 ( 0.246 5.511 0.182) 5.520 6.398 ( 5.055 -2.770 1.026) 5.855 6.733 ( 2.719 1.568 0.122) 3.142 6.798 ( 4.189 -4.733 0.741) 6.364 6.980 ( 3.396 5.138 -4.899) 7.870 7.066 ( 4.371 -3.206 -4.674) 7.157 7.222 ( 0.079 1.471 -3.338) 3.649 7.261 ( 0.168 -2.672 -2.229) 3.483 7.675 ( -1.747 5.314 -2.403) 6.088 7.751 ( -0.928 -2.020 -2.134) 3.082 7.949 ( -3.084 4.704 6.237) 8.398 8.000 ( -3.182 0.244 4.398) 5.433 8.114 ( 1.118 -0.941 -3.241) 3.555 8.141 ( -2.117 -1.977 1.223) 3.144 8.264 ( -4.865 4.013 2.052) 6.632 8.342 ( -3.486 -3.589 3.049) 5.859 8.522 ( -1.921 -0.304 0.767) 2.091 8.546 ( -3.366 -2.701 2.453) 4.964 8.782 ( -0.537 3.637 -0.032) 3.676 8.871 ( -2.551 -6.043 1.145) 6.658 9.773 ( -1.956 4.964 1.925) 5.673 9.797 ( -2.008 1.473 2.320) 3.404 10.002 ( 2.461 4.298 -3.142) 5.866 10.031 ( 2.547 2.353 -3.854) 5.184 10.724 ( -3.447 7.238 -3.923) 8.925 10.779 ( -2.604 1.586 -0.870) 3.171 11.035 ( 6.623 3.530 -1.397) 7.634 11.116 ( 8.770 -4.442 2.051) 10.043 11.221 ( 3.537 1.870 -0.441) 4.026 11.339 ( 0.644 -9.280 -2.492) 9.630 11.742 ( 0.443 2.735 -1.105) 2.983 11.765 ( 0.118 0.758 -0.955) 1.225 12.129 ( -5.623 0.540 0.543) 5.674 12.188 ( -5.981 -4.806 4.044) 8.673 12.673 ( 4.947 15.218 3.814) 16.450 12.966 ( 5.771 -15.217 6.607) 17.565 14.018 ( -6.676 5.055 -3.115) 8.934 14.118 ( -4.807 -5.475 -3.857) 8.244 14.597 ( 0.383 3.719 0.239) 3.746 14.676 ( 0.180 -4.332 0.356) 4.351 ======================= Grid point 76 (44/88) ======================= q-point: (-0.14 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -1.749 13.382 2.623) 13.748 1.367 ( -3.565 -2.368 -0.202) 4.285 1.451 ( -18.272 3.593 7.083) 19.924 1.563 ( -17.370 -2.992 -2.077) 17.748 1.638 ( -4.337 1.351 -22.366) 22.822 1.747 ( -3.348 -7.839 -18.019) 19.933 2.121 ( -1.126 2.915 -2.087) 3.758 2.176 ( 0.815 -1.367 -0.095) 1.594 2.370 ( 6.232 8.478 -1.336) 10.607 2.460 ( 2.938 0.644 1.921) 3.569 2.564 ( 0.096 6.353 6.618) 9.174 2.627 ( 4.414 -0.925 3.962) 6.003 2.842 ( -1.532 13.159 -0.160) 13.248 2.957 ( -3.452 8.010 1.250) 8.811 2.986 ( -3.548 0.464 -0.272) 3.588 3.039 ( -0.241 1.945 -5.876) 6.194 3.144 ( -2.797 -0.565 5.489) 6.186 3.200 ( -5.219 -5.697 -1.988) 7.978 3.360 ( -5.264 3.578 3.543) 7.285 3.427 ( -3.323 -5.289 4.677) 7.803 3.512 ( 4.410 3.585 3.213) 6.529 3.742 ( 2.046 -14.011 4.718) 14.925 3.833 ( 4.637 5.005 2.031) 7.119 3.923 ( 4.326 -4.300 3.538) 7.052 4.137 ( 2.180 0.963 2.551) 3.491 4.181 ( 2.695 -3.807 1.565) 4.920 4.295 ( 1.050 11.732 2.775) 12.102 4.347 ( -0.448 7.016 4.388) 8.288 4.637 ( 4.092 -9.588 -0.250) 10.428 4.689 ( 2.918 -8.795 -0.836) 9.304 4.763 ( -1.641 -2.805 -0.464) 3.283 4.805 ( 0.395 -3.606 -4.015) 5.411 4.877 ( -1.014 0.594 -4.246) 4.406 4.915 ( 1.675 -3.207 -2.907) 4.641 5.182 ( -4.202 4.380 -1.517) 6.256 5.272 ( -2.704 -5.237 -0.334) 5.904 5.422 ( 3.733 2.027 2.968) 5.182 5.439 ( 3.447 0.542 3.234) 4.758 5.541 ( 1.203 6.155 0.859) 6.330 5.659 ( -1.213 -4.530 -1.071) 4.810 5.710 ( -1.565 -1.798 -0.764) 2.503 5.743 ( -1.931 -4.975 -1.265) 5.485 6.179 ( -0.240 1.860 -4.812) 5.164 6.216 ( 0.021 -1.376 -1.822) 2.283 6.335 ( 1.998 5.800 1.338) 6.279 6.480 ( 3.054 -7.616 1.947) 8.433 6.800 ( 3.273 4.407 0.178) 5.493 6.880 ( 3.129 -3.893 1.262) 5.152 7.014 ( 1.295 4.724 -6.831) 8.406 7.092 ( 0.818 -2.733 -6.424) 7.028 7.269 ( 2.267 1.384 -1.696) 3.151 7.303 ( 2.822 -1.440 -1.488) 3.501 7.671 ( 2.948 4.226 1.302) 5.315 7.739 ( 0.645 -2.471 1.474) 2.949 7.891 ( -3.253 5.030 6.249) 8.656 7.948 ( -2.192 -0.685 5.570) 6.026 8.071 ( -7.046 4.955 3.354) 9.244 8.154 ( 1.497 -4.309 -2.343) 5.128 8.187 ( -0.172 -0.347 -1.175) 1.237 8.228 ( -7.497 -4.728 4.435) 9.912 8.488 ( -2.301 0.146 1.885) 2.979 8.496 ( -0.784 -0.853 0.846) 1.435 8.755 ( -2.271 1.867 -0.078) 2.941 8.805 ( -3.943 -3.740 0.541) 5.461 9.718 ( -3.175 4.079 2.959) 5.956 9.742 ( -3.260 1.369 3.328) 4.855 10.070 ( 4.249 5.760 -4.915) 8.683 10.114 ( 5.358 1.117 -6.174) 8.251 10.639 ( -4.174 6.930 -2.196) 8.383 10.736 ( -2.236 -1.303 -4.524) 5.212 11.168 ( 5.669 4.594 -0.786) 7.339 11.259 ( 1.639 -4.482 -0.435) 4.792 11.335 ( 11.337 1.332 3.613) 11.973 11.419 ( 9.765 -5.893 -0.703) 11.427 11.741 ( -1.035 2.666 -0.681) 2.940 11.764 ( -0.393 0.708 -0.583) 0.998 12.003 ( -7.353 -0.507 -1.140) 7.458 12.048 ( -7.855 -4.551 2.342) 9.375 12.772 ( 3.998 14.453 3.471) 15.393 13.047 ( 1.663 -14.374 4.838) 15.257 13.880 ( -6.348 6.199 -3.824) 9.662 13.994 ( -7.051 -5.485 -5.437) 10.458 14.630 ( 2.611 1.059 3.648) 4.610 14.685 ( 0.661 -4.189 2.293) 4.821 ======================= Grid point 98 (45/88) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -18.530 0.000 14.962) 23.817 0.813 ( -1.231 0.000 18.945) 18.984 1.078 ( 6.971 0.000 -10.156) 12.318 1.457 ( 1.282 0.000 -6.435) 6.561 1.583 ( 3.604 0.000 -1.860) 4.056 1.747 ( -2.360 0.000 -11.555) 11.793 1.853 ( 6.451 0.000 20.166) 21.173 1.945 ( 0.302 0.000 -10.477) 10.481 2.064 ( 7.803 0.000 7.088) 10.542 2.225 ( -6.451 0.000 -0.024) 6.451 2.234 ( 2.029 0.000 8.447) 8.688 2.474 ( 5.869 0.000 9.185) 10.900 2.544 ( -8.549 0.000 0.530) 8.566 2.658 ( 7.395 0.000 -8.939) 11.602 2.673 ( -7.488 0.000 -3.282) 8.175 3.016 ( 0.889 0.000 -0.363) 0.960 3.048 ( -2.615 0.000 2.778) 3.815 3.245 ( -2.190 0.000 -0.944) 2.384 3.379 ( 0.177 0.000 5.756) 5.759 3.662 ( -0.228 0.000 -0.435) 0.491 3.796 ( -2.076 0.000 0.685) 2.186 3.861 ( 1.083 0.000 -0.591) 1.234 3.955 ( -5.871 0.000 -3.149) 6.662 3.963 ( -1.792 0.000 7.278) 7.495 4.232 ( 0.179 0.000 -4.121) 4.125 4.237 ( 2.700 0.000 -15.029) 15.269 4.493 ( 0.402 0.000 0.214) 0.455 4.527 ( 0.226 0.000 -1.787) 1.801 4.625 ( -0.487 0.000 -0.555) 0.738 4.734 ( -0.716 0.000 -2.823) 2.913 4.740 ( -0.008 0.000 -1.932) 1.932 4.811 ( -3.113 0.000 2.132) 3.773 4.908 ( 0.839 0.000 4.791) 4.864 5.084 ( -1.512 0.000 2.812) 3.193 5.166 ( 4.604 0.000 -1.189) 4.755 5.197 ( 2.818 0.000 -0.295) 2.834 5.472 ( -0.414 0.000 1.116) 1.191 5.522 ( -1.225 0.000 1.153) 1.682 5.561 ( 3.228 0.000 -1.298) 3.479 5.769 ( 0.264 0.000 -0.042) 0.268 5.862 ( -1.850 0.000 2.796) 3.352 6.035 ( 1.187 0.000 -6.159) 6.273 6.053 ( -2.679 0.000 7.872) 8.316 6.337 ( 2.325 0.000 -2.821) 3.655 6.475 ( 2.977 0.000 4.131) 5.092 6.606 ( -4.445 0.000 1.203) 4.604 6.689 ( 0.517 0.000 -1.183) 1.291 6.748 ( 3.565 0.000 0.963) 3.693 7.002 ( -0.657 0.000 -5.836) 5.872 7.058 ( -0.637 0.000 -0.836) 1.051 7.215 ( 3.330 0.000 0.204) 3.336 7.423 ( -1.158 0.000 -0.061) 1.160 7.558 ( -4.441 0.000 -0.799) 4.513 7.699 ( 1.812 0.000 -1.753) 2.521 7.736 ( 4.522 0.000 3.649) 5.811 7.971 ( -0.127 0.000 5.314) 5.316 7.995 ( 0.812 0.000 -5.306) 5.368 8.333 ( -3.947 0.000 2.202) 4.520 8.364 ( 4.752 0.000 2.727) 5.479 8.382 ( 1.000 0.000 -0.130) 1.008 8.541 ( -1.461 0.000 3.615) 3.899 8.660 ( 1.611 0.000 -3.759) 4.090 8.743 ( 0.717 0.000 3.002) 3.087 8.916 ( -2.684 0.000 2.601) 3.737 9.268 ( 1.100 0.000 -1.294) 1.698 9.515 ( -3.386 0.000 -1.656) 3.769 9.875 ( 0.913 0.000 -1.288) 1.579 10.053 ( -0.396 0.000 -2.765) 2.793 10.057 ( -0.634 0.000 1.339) 1.481 10.520 ( -2.677 0.000 2.509) 3.669 11.026 ( 0.110 0.000 -2.087) 2.090 11.392 ( -2.367 0.000 -0.993) 2.567 11.563 ( -3.165 0.000 0.658) 3.233 11.565 ( -0.224 0.000 0.194) 0.296 11.619 ( 0.218 0.000 -1.484) 1.500 11.716 ( 0.558 0.000 0.129) 0.572 11.901 ( 7.301 0.000 -2.660) 7.771 12.140 ( -3.318 0.000 0.097) 3.319 12.407 ( 5.366 0.000 2.450) 5.899 13.343 ( -4.588 0.000 -1.099) 4.717 13.655 ( 5.133 0.000 2.486) 5.704 13.772 ( -5.258 0.000 -1.988) 5.621 14.862 ( 0.192 0.000 1.525) 1.537 15.511 ( 0.150 0.000 -2.200) 2.205 ======================= Grid point 99 (46/88) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 0.466 0.000 0.713) 0.852 0.884 ( 7.399 0.000 17.038) 18.575 1.203 ( 2.770 0.000 -7.972) 8.440 1.452 ( -2.139 0.000 -7.346) 7.651 1.616 ( 0.308 0.000 -2.692) 2.709 1.722 ( -0.306 0.000 -6.744) 6.751 1.905 ( 7.103 0.000 4.697) 8.515 2.038 ( -6.488 0.000 2.063) 6.808 2.143 ( 15.960 0.000 2.713) 16.189 2.299 ( -2.485 0.000 4.710) 5.325 2.306 ( 9.899 0.000 -0.244) 9.902 2.352 ( -11.004 0.000 1.780) 11.147 2.560 ( 1.582 0.000 -1.646) 2.283 2.679 ( 14.202 0.000 11.234) 18.108 2.782 ( 6.737 0.000 -8.165) 10.586 3.007 ( -2.631 0.000 -4.248) 4.997 3.050 ( 2.302 0.000 7.950) 8.277 3.134 ( -6.898 0.000 1.745) 7.115 3.358 ( -3.105 0.000 1.021) 3.268 3.642 ( -2.333 0.000 2.060) 3.112 3.696 ( -6.692 0.000 0.534) 6.713 3.850 ( -4.710 0.000 -0.180) 4.713 3.901 ( 1.651 0.000 -0.486) 1.721 4.022 ( 7.030 0.000 4.383) 8.284 4.252 ( 2.233 0.000 -1.857) 2.904 4.300 ( 3.084 0.000 -9.723) 10.200 4.447 ( -4.543 0.000 0.433) 4.564 4.529 ( 0.334 0.000 -1.348) 1.389 4.552 ( -8.547 0.000 2.155) 8.815 4.741 ( 0.024 0.000 -0.406) 0.406 4.741 ( 3.539 0.000 -3.677) 5.103 4.790 ( 0.357 0.000 5.590) 5.601 4.911 ( -0.712 0.000 3.562) 3.633 5.067 ( -0.288 0.000 0.748) 0.801 5.242 ( 2.633 0.000 -2.260) 3.470 5.277 ( 2.062 0.000 0.409) 2.102 5.440 ( -1.552 0.000 -1.609) 2.235 5.515 ( 0.657 0.000 2.046) 2.149 5.635 ( 4.768 0.000 -6.906) 8.392 5.781 ( 1.239 0.000 -0.065) 1.240 5.806 ( -4.276 0.000 2.964) 5.202 6.009 ( -2.183 0.000 8.092) 8.382 6.065 ( 1.896 0.000 -6.355) 6.632 6.361 ( -0.188 0.000 -3.990) 3.995 6.506 ( 0.443 0.000 4.041) 4.065 6.536 ( -2.287 0.000 3.397) 4.095 6.657 ( -3.775 0.000 -3.623) 5.232 6.824 ( 4.046 0.000 0.896) 4.144 6.974 ( -1.765 0.000 -6.334) 6.575 7.013 ( -2.649 0.000 -1.327) 2.963 7.289 ( 2.889 0.000 -3.212) 4.320 7.375 ( -3.764 0.000 0.025) 3.764 7.549 ( 1.964 0.000 2.717) 3.353 7.692 ( -6.772 0.000 2.777) 7.319 7.737 ( 1.906 0.000 -1.923) 2.708 7.984 ( 3.558 0.000 -1.815) 3.994 8.092 ( 5.637 0.000 -1.434) 5.817 8.217 ( -4.036 0.000 3.151) 5.121 8.401 ( 0.846 0.000 -0.449) 0.958 8.450 ( 0.461 0.000 -1.467) 1.538 8.559 ( 3.337 0.000 3.461) 4.808 8.671 ( 0.172 0.000 0.710) 0.731 8.801 ( 3.413 0.000 -1.253) 3.636 8.865 ( -2.550 0.000 2.831) 3.810 9.283 ( 0.446 0.000 -1.190) 1.271 9.465 ( -0.701 0.000 6.915) 6.950 9.886 ( 0.250 0.000 -1.670) 1.688 10.051 ( 0.047 0.000 1.745) 1.745 10.076 ( 2.630 0.000 -4.811) 5.483 10.495 ( 0.123 0.000 4.051) 4.052 11.006 ( -1.545 0.000 -2.031) 2.552 11.306 ( -5.464 0.000 0.754) 5.516 11.522 ( -1.766 0.000 2.624) 3.163 11.563 ( 0.033 0.000 0.123) 0.127 11.619 ( -0.130 0.000 -1.366) 1.373 11.631 ( -7.885 0.000 -0.318) 7.892 11.911 ( -4.978 0.000 -6.225) 7.970 12.170 ( 4.648 0.000 2.493) 5.274 12.549 ( 9.732 0.000 -3.266) 10.266 13.370 ( 5.783 0.000 3.284) 6.650 13.712 ( 0.809 0.000 -2.648) 2.769 13.833 ( 10.410 0.000 1.292) 10.490 14.851 ( -1.420 0.000 1.263) 1.901 15.314 ( -18.569 0.000 0.857) 18.589 ======================= Grid point 100 (47/88) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 14.993 0.000 -15.347) 21.455 1.075 ( 11.083 0.000 13.722) 17.639 1.200 ( -1.020 0.000 -12.010) 12.053 1.414 ( -0.942 0.000 -7.890) 7.946 1.605 ( -1.275 0.000 -0.076) 1.277 1.720 ( 0.316 0.000 -4.549) 4.560 1.913 ( -7.620 0.000 3.628) 8.439 2.100 ( -0.166 0.000 -2.824) 2.829 2.152 ( 2.480 0.000 6.680) 7.126 2.157 ( -7.799 0.000 0.274) 7.804 2.435 ( 13.921 0.000 -3.085) 14.258 2.463 ( 5.821 0.000 -6.626) 8.820 2.776 ( 16.199 0.000 2.111) 16.336 2.858 ( -7.059 0.000 -2.985) 7.664 2.905 ( 4.452 0.000 9.918) 10.872 2.956 ( 8.337 0.000 -5.991) 10.266 3.092 ( 1.893 0.000 -0.896) 2.095 3.184 ( 11.342 0.000 13.207) 17.409 3.259 ( -4.388 0.000 -3.969) 5.917 3.554 ( -7.353 0.000 2.541) 7.779 3.557 ( -7.586 0.000 -0.372) 7.595 3.798 ( -0.751 0.000 5.366) 5.418 3.916 ( 0.286 0.000 0.051) 0.290 4.166 ( 6.087 0.000 4.632) 7.649 4.171 ( -15.865 0.000 -4.438) 16.474 4.317 ( 4.965 0.000 -0.284) 4.974 4.351 ( -5.691 0.000 3.041) 6.453 4.529 ( 7.849 0.000 -0.531) 7.867 4.535 ( -0.188 0.000 -0.770) 0.792 4.744 ( 0.511 0.000 1.579) 1.660 4.776 ( -1.571 0.000 5.988) 6.191 4.862 ( 7.267 0.000 4.430) 8.511 4.889 ( -1.515 0.000 2.532) 2.951 5.068 ( 0.109 0.000 -1.676) 1.680 5.215 ( -6.793 0.000 0.761) 6.836 5.254 ( -0.848 0.000 -1.287) 1.541 5.458 ( 2.383 0.000 -4.301) 4.917 5.545 ( 2.018 0.000 0.808) 2.174 5.676 ( -3.164 0.000 -7.252) 7.912 5.731 ( -0.824 0.000 0.108) 0.831 5.820 ( 2.523 0.000 1.540) 2.956 5.983 ( -0.603 0.000 6.783) 6.810 6.086 ( 0.312 0.000 -6.400) 6.408 6.322 ( -3.151 0.000 -3.825) 4.956 6.468 ( -6.508 0.000 1.176) 6.613 6.532 ( 1.245 0.000 3.831) 4.029 6.590 ( -0.821 0.000 -1.100) 1.373 6.855 ( -2.012 0.000 -0.646) 2.114 6.981 ( 4.202 0.000 -5.316) 6.776 7.002 ( 2.054 0.000 -3.971) 4.471 7.287 ( -5.277 0.000 -0.708) 5.324 7.313 ( -0.119 0.000 -5.925) 5.926 7.498 ( -6.957 0.000 -2.786) 7.494 7.621 ( -1.153 0.000 8.737) 8.813 7.762 ( 0.760 0.000 -0.881) 1.164 8.080 ( 5.165 0.000 0.542) 5.194 8.130 ( 0.814 0.000 -1.901) 2.068 8.251 ( 4.951 0.000 2.287) 5.454 8.408 ( -0.183 0.000 0.370) 0.413 8.412 ( -3.000 0.000 -1.593) 3.397 8.626 ( 2.130 0.000 2.195) 3.059 8.673 ( 0.509 0.000 2.045) 2.107 8.835 ( -0.470 0.000 0.906) 1.021 8.835 ( 0.368 0.000 -3.194) 3.215 9.283 ( -0.377 0.000 -0.541) 0.660 9.510 ( 4.297 0.000 11.504) 12.280 9.882 ( -0.554 0.000 -1.285) 1.400 10.059 ( 0.659 0.000 1.643) 1.770 10.126 ( 2.383 0.000 -4.734) 5.300 10.535 ( 3.963 0.000 3.412) 5.230 10.987 ( -0.241 0.000 -2.637) 2.648 11.224 ( -2.657 0.000 0.703) 2.749 11.381 ( -11.671 0.000 1.388) 11.753 11.564 ( 0.160 0.000 1.391) 1.400 11.566 ( 0.302 0.000 -0.057) 0.307 11.614 ( -0.393 0.000 -1.113) 1.181 11.807 ( -4.809 0.000 -5.374) 7.212 12.223 ( 0.609 0.000 -0.571) 0.835 12.773 ( 13.557 0.000 -4.053) 14.149 13.469 ( 1.989 0.000 7.853) 8.101 13.774 ( 5.978 0.000 -1.894) 6.271 14.030 ( 9.296 0.000 -1.048) 9.354 14.806 ( -3.754 0.000 0.196) 3.759 14.920 ( -19.836 0.000 2.182) 19.956 ======================= Grid point 101 (48/88) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 7.347 0.000 -17.553) 19.028 1.172 ( -1.741 0.000 -15.778) 15.874 1.276 ( 8.065 0.000 10.601) 13.321 1.406 ( -0.884 0.000 -12.816) 12.847 1.584 ( -0.004 0.000 3.902) 3.902 1.686 ( -8.325 0.000 0.545) 8.343 1.780 ( -1.043 0.000 3.598) 3.746 1.955 ( -2.892 0.000 6.585) 7.192 2.080 ( -1.177 0.000 -5.431) 5.557 2.408 ( 12.919 0.000 5.206) 13.929 2.536 ( 3.106 0.000 -7.380) 8.007 2.664 ( 8.728 0.000 -2.633) 9.116 2.734 ( -4.055 0.000 -7.245) 8.302 2.788 ( -8.746 0.000 0.238) 8.749 3.056 ( 3.323 0.000 -4.121) 5.294 3.067 ( 2.062 0.000 -0.341) 2.090 3.176 ( 1.940 0.000 11.375) 11.539 3.243 ( 12.925 0.000 -3.785) 13.468 3.349 ( -6.698 0.000 4.565) 8.106 3.372 ( -11.131 0.000 0.561) 11.145 3.478 ( 1.856 0.000 -2.832) 3.386 3.816 ( -2.387 0.000 1.422) 2.778 3.917 ( -0.242 0.000 1.162) 1.187 3.927 ( -0.173 0.000 1.392) 1.403 4.221 ( -0.082 0.000 7.677) 7.677 4.298 ( 2.472 0.000 7.059) 7.479 4.434 ( 5.882 0.000 -1.938) 6.193 4.509 ( -2.215 0.000 0.430) 2.257 4.698 ( 4.213 0.000 6.932) 8.112 4.760 ( 0.710 0.000 3.869) 3.934 4.764 ( 5.079 0.000 5.980) 7.846 4.862 ( -1.240 0.000 0.852) 1.504 4.947 ( -1.357 0.000 2.941) 3.239 5.061 ( -0.643 0.000 -2.898) 2.968 5.117 ( -1.205 0.000 -1.035) 1.588 5.228 ( -1.556 0.000 0.158) 1.564 5.414 ( -8.527 0.000 -4.859) 9.814 5.578 ( 1.211 0.000 -0.735) 1.417 5.639 ( 2.189 0.000 -6.709) 7.057 5.743 ( 1.755 0.000 -0.197) 1.766 5.850 ( -0.174 0.000 4.775) 4.778 6.005 ( 2.724 0.000 3.689) 4.586 6.068 ( -1.769 0.000 -6.310) 6.553 6.263 ( -2.484 0.000 -2.666) 3.643 6.312 ( -7.954 0.000 2.931) 8.477 6.572 ( 2.686 0.000 3.234) 4.203 6.608 ( 2.070 0.000 -2.328) 3.115 6.792 ( -3.581 0.000 -2.820) 4.558 7.056 ( 1.761 0.000 -4.278) 4.627 7.091 ( 6.709 0.000 -3.410) 7.526 7.182 ( -5.502 0.000 -2.150) 5.907 7.275 ( -2.994 0.000 -8.254) 8.780 7.391 ( -3.154 0.000 -0.810) 3.256 7.601 ( -0.680 0.000 6.618) 6.653 7.762 ( -0.804 0.000 0.597) 1.001 8.132 ( -0.935 0.000 2.033) 2.238 8.159 ( 2.364 0.000 2.701) 3.589 8.321 ( -1.174 0.000 1.110) 1.616 8.375 ( 1.926 0.000 -1.773) 2.618 8.395 ( -1.121 0.000 1.625) 1.974 8.637 ( 0.252 0.000 5.871) 5.877 8.714 ( 3.103 0.000 -3.419) 4.618 8.823 ( -1.261 0.000 -4.114) 4.303 8.850 ( 1.964 0.000 -1.777) 2.649 9.271 ( -0.854 0.000 0.281) 0.899 9.593 ( 2.970 0.000 11.186) 11.574 9.868 ( -0.819 0.000 -0.563) 0.994 10.073 ( 0.633 0.000 1.257) 1.407 10.155 ( 0.821 0.000 -3.266) 3.367 10.643 ( 7.005 0.000 0.796) 7.050 10.973 ( -2.449 0.000 -2.233) 3.314 11.175 ( -5.536 0.000 -0.268) 5.543 11.230 ( 0.712 0.000 1.799) 1.935 11.573 ( 0.460 0.000 1.481) 1.550 11.574 ( 0.535 0.000 -0.303) 0.615 11.604 ( -0.535 0.000 -0.822) 0.981 11.731 ( -2.968 0.000 -4.465) 5.361 12.206 ( -1.814 0.000 -3.537) 3.975 13.000 ( 6.952 0.000 -0.496) 6.969 13.440 ( -2.762 0.000 8.925) 9.342 13.910 ( 7.448 0.000 -0.373) 7.457 14.165 ( 4.599 0.000 -1.599) 4.869 14.591 ( -11.451 0.000 -1.279) 11.522 14.771 ( -1.592 0.000 0.409) 1.643 ======================= Grid point 102 (49/88) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -1.584 0.000 -9.285) 9.419 1.129 ( -0.345 0.000 -19.411) 19.414 1.314 ( -5.398 0.000 10.746) 12.026 1.345 ( -2.228 0.000 -14.751) 14.918 1.492 ( -8.239 0.000 1.611) 8.395 1.650 ( 5.984 0.000 9.139) 10.924 1.857 ( 7.356 0.000 -0.725) 7.392 2.041 ( 8.667 0.000 8.087) 11.854 2.062 ( -0.897 0.000 -9.899) 9.939 2.464 ( -15.124 0.000 -0.921) 15.152 2.529 ( -7.647 0.000 1.115) 7.728 2.600 ( 3.912 0.000 -0.190) 3.916 2.706 ( 1.184 0.000 -11.933) 11.991 2.821 ( -1.715 0.000 0.690) 1.848 3.029 ( -4.180 0.000 -5.265) 6.722 3.056 ( -5.486 0.000 -0.058) 5.486 3.164 ( -4.073 0.000 12.822) 13.453 3.168 ( -6.314 0.000 -1.307) 6.448 3.241 ( 4.228 0.000 6.818) 8.022 3.409 ( -6.447 0.000 -1.072) 6.535 3.500 ( 12.590 0.000 -4.411) 13.341 3.850 ( 6.516 0.000 -0.139) 6.518 3.905 ( -1.333 0.000 2.481) 2.816 4.061 ( 9.216 0.000 -1.738) 9.378 4.194 ( -2.487 0.000 6.591) 7.045 4.424 ( -4.892 0.000 0.684) 4.940 4.447 ( 8.191 0.000 6.626) 10.535 4.529 ( 1.835 0.000 -0.534) 1.911 4.720 ( 1.447 0.000 10.821) 10.917 4.774 ( 0.785 0.000 4.419) 4.488 4.843 ( -0.900 0.000 -0.397) 0.983 4.869 ( -0.440 0.000 -4.740) 4.760 4.938 ( 4.046 0.000 6.029) 7.261 5.049 ( -0.333 0.000 -2.935) 2.954 5.100 ( -1.991 0.000 -0.416) 2.034 5.198 ( -1.732 0.000 2.165) 2.773 5.228 ( -7.330 0.000 -3.993) 8.347 5.588 ( -0.076 0.000 -1.402) 1.404 5.665 ( -0.391 0.000 -6.655) 6.667 5.816 ( 5.024 0.000 -1.725) 5.312 5.823 ( -2.384 0.000 5.455) 5.953 6.033 ( -0.937 0.000 -6.231) 6.301 6.066 ( 2.857 0.000 2.735) 3.956 6.213 ( -1.955 0.000 7.884) 8.123 6.236 ( -0.110 0.000 -2.175) 2.178 6.630 ( 2.939 0.000 3.657) 4.691 6.671 ( 4.882 0.000 -5.025) 7.006 6.734 ( -2.103 0.000 -3.560) 4.134 6.985 ( -7.844 0.000 -5.533) 9.599 7.084 ( -4.391 0.000 -3.095) 5.373 7.220 ( 6.726 0.000 -3.651) 7.653 7.247 ( -0.206 0.000 -3.014) 3.021 7.388 ( 2.314 0.000 -1.384) 2.696 7.623 ( 3.233 0.000 5.949) 6.771 7.735 ( -1.908 0.000 1.695) 2.552 8.058 ( -6.468 0.000 3.693) 7.448 8.184 ( -0.930 0.000 0.531) 1.071 8.267 ( -2.118 0.000 1.567) 2.635 8.374 ( -0.972 0.000 1.990) 2.215 8.415 ( 0.759 0.000 2.597) 2.705 8.660 ( 1.458 0.000 2.704) 3.072 8.754 ( 0.048 0.000 -2.915) 2.915 8.805 ( 0.416 0.000 -4.997) 5.014 8.898 ( 2.860 0.000 -3.132) 4.242 9.254 ( -0.854 0.000 0.957) 1.283 9.615 ( -1.030 0.000 9.965) 10.018 9.854 ( -0.546 0.000 -0.108) 0.556 10.082 ( 0.187 0.000 0.937) 0.955 10.158 ( -0.242 0.000 -3.580) 3.588 10.775 ( 4.808 0.000 -3.258) 5.808 10.870 ( -5.409 0.000 1.911) 5.736 11.167 ( 4.239 0.000 0.196) 4.243 11.290 ( 4.345 0.000 -0.097) 4.346 11.585 ( 0.469 0.000 -0.288) 0.551 11.586 ( 1.008 0.000 1.024) 1.437 11.594 ( -0.359 0.000 -0.853) 0.925 11.693 ( -0.666 0.000 -3.448) 3.511 12.171 ( -1.362 0.000 -3.582) 3.832 12.908 ( -14.151 0.000 4.782) 14.938 13.487 ( 5.284 0.000 4.790) 7.132 13.992 ( -1.904 0.000 -0.781) 2.058 14.209 ( 0.306 0.000 -4.877) 4.887 14.498 ( 3.917 0.000 2.125) 4.457 14.792 ( 3.882 0.000 -0.114) 3.884 ======================= Grid point 103 (50/88) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -6.897 0.000 -8.246) 10.750 1.125 ( -12.533 0.000 14.874) 19.450 1.198 ( 7.475 0.000 -11.518) 13.730 1.373 ( 4.421 0.000 -12.772) 13.515 1.430 ( 0.781 0.000 -0.972) 1.247 1.767 ( 5.434 0.000 7.326) 9.122 1.940 ( -1.930 0.000 -8.659) 8.872 2.044 ( -18.846 0.000 0.169) 18.847 2.121 ( 10.324 0.000 -3.698) 10.967 2.233 ( -2.302 0.000 7.635) 7.974 2.269 ( -13.270 0.000 2.470) 13.498 2.616 ( -12.524 0.000 0.231) 12.526 2.649 ( -0.810 0.000 2.639) 2.760 2.724 ( -1.391 0.000 -7.069) 7.205 2.924 ( -1.908 0.000 -4.201) 4.614 2.947 ( -6.888 0.000 -0.954) 6.954 3.142 ( 1.271 0.000 -2.463) 2.772 3.146 ( 0.189 0.000 12.297) 12.298 3.338 ( -0.198 0.000 6.071) 6.074 3.456 ( 14.063 0.000 1.694) 14.165 3.684 ( 5.836 0.000 -3.341) 6.725 3.863 ( -2.815 0.000 3.229) 4.284 3.946 ( 3.636 0.000 1.035) 3.780 4.157 ( -1.651 0.000 3.833) 4.174 4.269 ( 10.895 0.000 -9.138) 14.220 4.311 ( -6.437 0.000 0.438) 6.452 4.464 ( -4.083 0.000 -1.092) 4.227 4.531 ( -0.942 0.000 -0.047) 0.943 4.741 ( -3.244 0.000 4.053) 5.192 4.777 ( -1.044 0.000 -0.433) 1.130 4.834 ( -2.339 0.000 -1.575) 2.820 4.842 ( 1.183 0.000 3.239) 3.448 4.935 ( -8.087 0.000 -0.232) 8.091 5.053 ( 0.966 0.000 -1.889) 2.121 5.069 ( 7.335 0.000 1.879) 7.572 5.163 ( -2.083 0.000 4.074) 4.576 5.281 ( 8.412 0.000 4.541) 9.560 5.576 ( -1.027 0.000 -1.172) 1.558 5.610 ( -4.726 0.000 -7.945) 9.244 5.783 ( -1.616 0.000 3.873) 4.197 5.882 ( 1.659 0.000 -3.891) 4.230 6.028 ( 0.091 0.000 -4.579) 4.580 6.102 ( 0.653 0.000 4.022) 4.075 6.252 ( 1.650 0.000 -2.446) 2.950 6.256 ( 5.542 0.000 9.041) 10.604 6.668 ( 0.861 0.000 2.719) 2.852 6.714 ( -0.338 0.000 -1.767) 1.799 6.728 ( -2.249 0.000 -8.689) 8.975 6.898 ( 3.293 0.000 -1.164) 3.493 7.021 ( -1.863 0.000 -4.968) 5.306 7.236 ( -1.060 0.000 1.012) 1.466 7.336 ( 5.380 0.000 -2.835) 6.081 7.445 ( 3.910 0.000 -0.734) 3.978 7.699 ( -1.725 0.000 1.611) 2.360 7.734 ( 7.698 0.000 5.630) 9.537 7.903 ( -9.522 0.000 1.752) 9.682 8.139 ( -3.047 0.000 0.736) 3.135 8.242 ( -0.908 0.000 3.182) 3.309 8.363 ( -0.224 0.000 1.528) 1.544 8.414 ( -0.767 0.000 2.707) 2.813 8.661 ( -1.467 0.000 -0.978) 1.763 8.732 ( -2.027 0.000 1.235) 2.374 8.801 ( -1.516 0.000 -3.642) 3.945 8.943 ( 1.722 0.000 -2.303) 2.876 9.243 ( -0.245 0.000 0.840) 0.876 9.586 ( -1.644 0.000 6.011) 6.232 9.850 ( 0.106 0.000 -0.147) 0.181 10.080 ( -0.357 0.000 0.800) 0.876 10.140 ( -1.710 0.000 -4.413) 4.733 10.701 ( -6.623 0.000 -0.548) 6.646 10.918 ( 4.770 0.000 -1.029) 4.880 11.283 ( 6.512 0.000 -0.144) 6.513 11.403 ( 8.706 0.000 0.415) 8.716 11.580 ( -0.532 0.000 0.052) 0.535 11.600 ( 0.116 0.000 -0.036) 0.121 11.601 ( 0.693 0.000 -1.259) 1.437 11.713 ( 2.600 0.000 -3.086) 4.035 12.162 ( 0.797 0.000 -0.280) 0.844 12.612 ( -15.108 0.000 4.946) 15.897 13.551 ( 0.982 0.000 2.121) 2.337 13.837 ( -12.026 0.000 -1.624) 12.135 14.125 ( -8.161 0.000 -7.123) 10.833 14.720 ( 12.028 0.000 4.037) 12.687 14.938 ( 14.234 0.000 1.781) 14.345 ======================= Grid point 104 (51/88) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 2.678 0.000 -1.046) 2.876 0.913 ( -9.521 0.000 17.472) 19.898 1.263 ( -12.862 0.000 -8.819) 15.595 1.399 ( 4.154 0.000 -4.487) 6.115 1.492 ( 5.080 0.000 -1.269) 5.236 1.782 ( -2.696 0.000 11.134) 11.456 1.814 ( -2.610 0.000 -13.313) 13.566 1.924 ( 4.472 0.000 8.841) 9.907 1.963 ( -7.620 0.000 -2.614) 8.056 2.280 ( -1.897 0.000 6.991) 7.244 2.305 ( 4.036 0.000 0.003) 4.036 2.455 ( -4.408 0.000 3.273) 5.491 2.564 ( -2.094 0.000 -2.636) 3.366 2.669 ( -4.169 0.000 -5.651) 7.022 2.802 ( -6.895 0.000 -1.674) 7.095 2.975 ( 3.534 0.000 0.688) 3.600 3.117 ( -3.591 0.000 5.596) 6.649 3.204 ( 4.798 0.000 -3.523) 5.953 3.361 ( 1.283 0.000 9.433) 9.519 3.692 ( -2.971 0.000 -0.524) 3.017 3.707 ( 10.659 0.000 1.347) 10.744 3.848 ( 0.879 0.000 0.647) 1.091 4.004 ( 1.906 0.000 -2.843) 3.423 4.072 ( -7.811 0.000 6.346) 10.064 4.239 ( -0.810 0.000 -4.183) 4.261 4.285 ( -6.069 0.000 -18.319) 19.298 4.464 ( 1.701 0.000 3.910) 4.264 4.520 ( 0.184 0.000 -1.002) 1.018 4.672 ( -2.721 0.000 -3.597) 4.510 4.745 ( -3.358 0.000 -1.102) 3.534 4.751 ( -1.141 0.000 -2.394) 2.652 4.850 ( -1.377 0.000 1.899) 2.345 4.877 ( 1.961 0.000 5.424) 5.768 5.086 ( 2.491 0.000 -1.403) 2.859 5.125 ( -1.783 0.000 4.600) 4.934 5.192 ( 1.640 0.000 1.835) 2.461 5.425 ( 5.573 0.000 3.682) 6.679 5.529 ( -1.431 0.000 -4.610) 4.827 5.550 ( -1.572 0.000 -0.205) 1.585 5.768 ( -0.251 0.000 1.571) 1.591 5.885 ( -0.770 0.000 -1.321) 1.528 6.027 ( 0.114 0.000 -4.671) 4.672 6.094 ( -1.628 0.000 6.220) 6.430 6.291 ( 2.431 0.000 -2.639) 3.588 6.383 ( 6.337 0.000 5.389) 8.319 6.675 ( -0.568 0.000 -1.523) 1.626 6.678 ( -1.877 0.000 -3.006) 3.544 6.698 ( 0.753 0.000 4.549) 4.611 7.006 ( 0.147 0.000 -5.826) 5.827 7.009 ( 5.334 0.000 -3.102) 6.170 7.209 ( -1.565 0.000 1.724) 2.328 7.412 ( 2.480 0.000 -1.413) 2.854 7.564 ( 8.375 0.000 1.773) 8.560 7.681 ( -0.027 0.000 0.017) 0.032 7.717 ( -9.063 0.000 0.743) 9.094 7.888 ( 6.930 0.000 2.597) 7.401 8.070 ( -4.418 0.000 1.393) 4.633 8.253 ( 2.628 0.000 4.491) 5.203 8.367 ( 0.528 0.000 0.707) 0.882 8.396 ( -0.975 0.000 0.539) 1.114 8.634 ( -3.404 0.000 0.146) 3.407 8.644 ( -4.065 0.000 2.146) 4.597 8.765 ( -1.854 0.000 -0.243) 1.869 8.952 ( -0.831 0.000 0.365) 0.907 9.249 ( 0.814 0.000 -0.389) 0.902 9.562 ( -1.471 0.000 -0.653) 1.609 9.858 ( 0.776 0.000 -0.619) 0.993 10.070 ( -0.729 0.000 0.924) 1.177 10.091 ( -2.878 0.000 -3.687) 4.678 10.591 ( -4.837 0.000 0.900) 4.920 10.994 ( 3.216 0.000 -1.936) 3.754 11.381 ( 3.404 0.000 -1.466) 3.706 11.571 ( -0.430 0.000 0.154) 0.457 11.597 ( 1.455 0.000 -1.637) 2.190 11.608 ( 8.729 0.000 1.474) 8.853 11.612 ( 0.541 0.000 -1.428) 1.527 11.768 ( 4.108 0.000 -1.849) 4.505 12.191 ( 0.629 0.000 1.620) 1.738 12.392 ( -6.524 0.000 4.837) 8.121 13.507 ( -8.098 0.000 -2.417) 8.451 13.634 ( -4.855 0.000 0.708) 4.906 13.934 ( -10.532 0.000 -4.418) 11.421 14.838 ( 2.592 0.000 1.737) 3.120 15.306 ( 19.114 0.000 1.324) 19.160 ======================= Grid point 105 (52/88) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -21.006 2.976 8.306) 22.784 0.945 ( 8.125 4.682 5.327) 10.785 1.242 ( 1.851 13.076 -4.499) 13.952 1.406 ( -0.715 1.315 -3.704) 3.995 1.701 ( 2.384 8.509 -3.347) 9.449 1.793 ( 1.483 -4.793 13.144) 14.068 1.869 ( 1.307 7.113 -3.255) 7.931 1.923 ( 1.815 2.725 -6.983) 7.713 2.093 ( 4.317 3.016 -1.843) 5.580 2.262 ( 9.255 4.023 10.326) 14.439 2.302 ( -4.170 5.181 0.713) 6.689 2.457 ( 5.870 0.551 -0.016) 5.895 2.593 ( -7.740 1.834 -0.290) 7.960 2.617 ( -6.246 4.606 0.400) 7.771 2.809 ( 0.210 7.652 2.704) 8.118 3.042 ( 2.159 1.968 -0.710) 3.007 3.075 ( -1.639 2.707 -0.216) 3.172 3.228 ( -2.546 -1.583 0.436) 3.029 3.355 ( 1.385 -1.985 3.802) 4.507 3.623 ( -1.533 -3.126 0.438) 3.510 3.771 ( -1.217 -2.089 3.142) 3.965 3.808 ( 0.050 -5.523 -1.149) 5.642 3.911 ( -7.404 -1.417 -0.965) 7.600 4.026 ( 0.723 0.678 1.941) 2.180 4.144 ( 0.548 -0.894 -2.671) 2.870 4.310 ( 3.698 2.051 -8.456) 9.454 4.457 ( -0.205 -4.350 0.598) 4.396 4.491 ( -2.715 -0.635 0.975) 2.954 4.609 ( -0.243 -4.986 -0.056) 4.993 4.721 ( -2.699 -0.957 -2.354) 3.707 4.771 ( 1.640 1.068 -4.231) 4.662 4.832 ( -0.117 3.843 -0.029) 3.845 4.950 ( 3.177 2.738 4.082) 5.853 5.063 ( -1.063 -1.283 1.768) 2.430 5.208 ( 5.333 2.523 0.806) 5.954 5.226 ( -2.867 5.404 -2.913) 6.776 5.426 ( 0.453 -7.516 0.250) 7.533 5.490 ( -0.181 1.163 -0.216) 1.197 5.594 ( 1.888 0.883 0.220) 2.096 5.653 ( -0.623 -10.650 -0.866) 10.703 5.846 ( -1.441 -2.085 3.347) 4.198 6.006 ( 0.183 -3.118 -6.124) 6.875 6.095 ( 0.769 -5.832 3.069) 6.635 6.181 ( 0.675 1.584 1.944) 2.597 6.501 ( -2.949 -9.401 -0.481) 9.864 6.599 ( 2.429 3.515 1.869) 4.663 6.697 ( -1.363 0.905 0.831) 1.835 6.794 ( 4.565 4.625 -1.244) 6.616 6.949 ( -0.045 -1.326 -1.669) 2.133 7.099 ( -0.150 1.558 -3.547) 3.877 7.231 ( 2.481 0.847 -0.582) 2.685 7.379 ( -1.123 -4.321 0.444) 4.486 7.587 ( -3.926 3.000 -1.749) 5.241 7.711 ( 0.122 2.687 0.122) 2.693 7.778 ( 2.237 2.402 4.763) 5.784 7.964 ( 6.817 -0.744 0.956) 6.924 7.992 ( -2.690 1.928 0.258) 3.319 8.265 ( -1.208 -1.417 1.741) 2.550 8.335 ( -2.763 -1.745 1.385) 3.550 8.454 ( 3.817 0.349 0.521) 3.869 8.471 ( -0.607 -6.383 2.677) 6.949 8.610 ( -0.447 -3.132 -1.165) 3.371 8.743 ( 0.542 0.546 2.491) 2.607 9.079 ( -2.517 1.268 7.229) 7.759 9.317 ( -2.059 6.720 -2.939) 7.618 9.435 ( 0.138 4.334 -0.333) 4.348 9.884 ( 0.606 0.655 -2.331) 2.496 9.990 ( 3.470 -0.675 -4.884) 6.029 10.262 ( -1.914 11.447 -2.124) 11.798 10.535 ( -2.851 1.525 2.168) 3.893 11.043 ( 0.127 2.008 -1.949) 2.802 11.359 ( -1.507 -3.010 -1.078) 3.535 11.546 ( -2.160 1.045 1.382) 2.769 11.627 ( 0.498 2.747 0.184) 2.798 11.656 ( 0.366 3.347 -0.728) 3.445 11.720 ( -0.058 0.251 0.594) 0.648 11.905 ( 5.968 0.047 -2.398) 6.432 12.127 ( -4.478 -1.937 -0.149) 4.881 12.462 ( 5.640 5.984 0.964) 8.279 13.319 ( -5.339 -2.859 -1.356) 6.206 13.669 ( 5.467 1.405 1.738) 5.907 13.775 ( -5.366 0.370 -2.545) 5.951 14.839 ( 0.273 -2.283 1.507) 2.749 15.337 ( 0.511 -16.015 1.921) 16.138 ======================= Grid point 106 (53/88) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -0.137 3.066 -6.003) 6.742 1.064 ( 4.336 4.918 5.676) 8.672 1.279 ( 0.120 5.009 -6.129) 7.916 1.389 ( 0.417 5.955 -0.825) 6.027 1.705 ( 2.744 4.615 -4.646) 7.100 1.831 ( -0.254 8.694 -4.096) 9.614 1.918 ( 6.298 4.505 -0.767) 7.782 2.083 ( 2.006 3.331 -3.444) 5.195 2.156 ( 9.801 1.539 3.569) 10.544 2.270 ( -2.223 1.996 4.542) 5.436 2.415 ( -2.197 7.226 -0.651) 7.581 2.477 ( 1.012 8.884 0.983) 8.995 2.557 ( 4.055 2.501 1.846) 5.109 2.634 ( 13.152 -2.905 9.176) 16.297 2.814 ( 2.950 2.337 -0.036) 3.764 3.017 ( -4.746 1.221 -1.224) 5.051 3.085 ( 1.741 3.504 -1.151) 4.078 3.156 ( -3.502 1.264 4.103) 5.541 3.336 ( -2.966 -1.841 0.612) 3.544 3.574 ( -3.977 -3.004 -0.024) 4.984 3.704 ( -5.777 -2.232 4.530) 7.673 3.838 ( -1.161 0.038 1.199) 1.670 3.869 ( 5.694 -5.177 -1.544) 7.849 4.041 ( 1.119 0.825 2.257) 2.651 4.152 ( 1.428 -4.372 -2.519) 5.244 4.372 ( 1.221 2.041 1.735) 2.944 4.413 ( -5.090 0.385 -3.860) 6.399 4.457 ( -1.263 -6.256 2.674) 6.920 4.591 ( -4.356 -0.338 -0.262) 4.377 4.650 ( 0.322 -5.831 -1.334) 5.990 4.804 ( 0.857 1.649 -0.865) 2.050 4.825 ( 0.323 4.007 -1.119) 4.172 4.982 ( -0.804 6.527 4.452) 7.942 5.051 ( 0.499 -0.242 0.655) 0.858 5.201 ( 0.035 -3.197 -3.106) 4.458 5.308 ( 2.866 2.910 0.184) 4.088 5.438 ( -1.807 -2.597 0.911) 3.292 5.476 ( 2.795 -0.610 -2.635) 3.889 5.644 ( 2.851 -7.508 -0.685) 8.060 5.676 ( 3.119 -2.556 -3.102) 5.088 5.804 ( -3.111 -1.833 3.530) 5.050 6.004 ( -0.774 -1.654 -1.774) 2.546 6.103 ( 0.353 1.855 0.502) 1.954 6.201 ( 1.164 -6.199 0.088) 6.308 6.437 ( -3.437 -8.457 -0.139) 9.130 6.636 ( 1.069 0.621 0.591) 1.370 6.643 ( -3.788 2.736 0.647) 4.717 6.853 ( 0.836 2.335 -1.523) 2.910 6.942 ( -0.446 0.674 -1.899) 2.064 7.053 ( -1.947 1.944 -4.880) 5.603 7.278 ( -0.613 -1.082 -2.502) 2.794 7.366 ( 1.675 -2.767 0.682) 3.306 7.531 ( -3.041 0.789 -0.208) 3.149 7.722 ( -7.102 2.481 3.076) 8.128 7.747 ( 4.135 0.625 0.859) 4.269 8.003 ( 3.293 2.567 -3.419) 5.397 8.091 ( 4.613 -0.172 0.182) 4.620 8.212 ( -1.122 0.275 3.591) 3.772 8.309 ( 0.563 -3.354 0.489) 3.436 8.478 ( -0.033 -4.333 2.296) 4.904 8.529 ( 0.886 -1.389 0.370) 1.689 8.582 ( -0.661 -2.563 2.039) 3.341 8.785 ( 2.574 -0.378 -0.868) 2.743 9.099 ( 4.801 -0.597 7.954) 9.310 9.262 ( -3.409 7.628 -0.164) 8.356 9.448 ( 1.120 6.031 0.381) 6.146 9.900 ( 1.083 1.796 -2.146) 3.000 10.059 ( 3.553 0.983 -7.013) 7.923 10.222 ( -2.114 11.112 -0.207) 11.313 10.505 ( -0.185 0.939 3.959) 4.073 11.015 ( -2.262 1.475 -1.744) 3.214 11.291 ( -4.961 -1.573 0.332) 5.215 11.502 ( -1.809 -0.422 2.283) 2.943 11.615 ( -6.653 0.860 -1.249) 6.824 11.646 ( -1.258 3.529 1.031) 3.886 11.656 ( -0.242 3.347 -0.626) 3.413 11.921 ( -4.427 1.129 -6.117) 7.635 12.162 ( 6.429 -1.335 3.933) 7.654 12.573 ( 6.862 2.902 -4.206) 8.555 13.324 ( 4.522 -4.977 4.166) 7.910 13.725 ( 0.804 1.353 -3.110) 3.486 13.834 ( 10.107 0.108 0.560) 10.123 14.830 ( -1.280 -2.071 1.164) 2.699 15.186 ( -14.798 -11.841 2.516) 19.118 ======================= Grid point 107 (54/88) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 12.782 -0.951 -19.145) 23.039 1.114 ( 1.055 -4.433 -10.036) 11.022 1.306 ( 3.998 3.780 -2.972) 6.253 1.423 ( 2.656 14.090 3.732) 14.816 1.756 ( 2.315 10.389 -6.055) 12.245 1.811 ( -1.257 8.188 -2.466) 8.643 2.001 ( -6.561 8.191 1.593) 10.614 2.078 ( -0.782 0.749 -4.199) 4.337 2.129 ( 1.851 0.401 3.300) 3.805 2.304 ( -5.127 11.493 5.030) 13.553 2.421 ( 12.229 0.270 -2.484) 12.482 2.548 ( 3.390 5.835 -4.972) 8.382 2.784 ( 14.792 1.005 -0.026) 14.826 2.820 ( -1.357 -3.010 1.000) 3.450 2.898 ( 2.783 -0.411 5.094) 5.819 2.972 ( 6.952 1.932 -0.838) 7.264 3.120 ( 2.826 2.617 -2.189) 4.430 3.194 ( 6.514 0.468 9.149) 11.241 3.258 ( -2.714 0.445 -1.857) 3.318 3.498 ( -3.076 -2.017 -0.040) 3.679 3.573 ( -8.012 -0.395 4.033) 8.978 3.820 ( -1.055 0.521 4.291) 4.449 3.931 ( -0.049 0.898 0.619) 1.092 4.083 ( 0.402 -5.435 0.849) 5.516 4.214 ( -2.767 -5.261 4.363) 7.373 4.225 ( -3.726 0.149 -5.331) 6.506 4.321 ( -4.237 -3.222 4.528) 6.988 4.468 ( 2.094 -4.315 3.537) 5.959 4.566 ( 1.315 -2.211 -0.893) 2.723 4.710 ( 4.115 -4.097 0.340) 5.817 4.790 ( -1.850 1.193 5.908) 6.304 4.833 ( 0.352 3.046 0.162) 3.070 4.952 ( -1.873 2.283 1.570) 3.345 5.077 ( 0.982 0.060 -1.476) 1.774 5.201 ( 0.137 -0.670 0.990) 1.203 5.271 ( -4.328 3.346 -0.413) 5.486 5.436 ( 1.376 -4.942 -1.394) 5.316 5.552 ( 3.096 3.187 -3.143) 5.443 5.694 ( 1.041 -2.931 0.595) 3.167 5.721 ( 0.493 -0.035 -4.607) 4.633 5.755 ( 0.372 -4.542 2.520) 5.207 5.984 ( -0.535 0.370 1.896) 2.004 6.104 ( -0.449 1.845 -2.931) 3.492 6.214 ( 0.020 -7.085 -1.585) 7.260 6.383 ( -1.810 -10.212 1.278) 10.449 6.517 ( -8.634 1.023 0.088) 8.694 6.674 ( 1.883 4.548 -0.533) 4.951 6.853 ( 0.264 -3.420 -0.286) 3.442 6.899 ( -3.338 0.213 -3.769) 5.039 7.077 ( 3.038 1.610 -4.237) 5.457 7.239 ( -1.285 -0.817 -4.195) 4.463 7.402 ( -1.147 5.275 -2.547) 5.969 7.457 ( -2.682 -5.786 -1.975) 6.676 7.569 ( -7.289 -0.361 3.699) 8.182 7.835 ( 2.880 4.422 2.233) 5.731 8.086 ( 5.117 -0.480 -3.030) 5.966 8.123 ( 1.245 1.036 0.926) 1.866 8.274 ( 4.809 1.909 2.326) 5.673 8.328 ( 0.877 -3.107 -1.081) 3.404 8.462 ( -1.748 -0.277 1.595) 2.382 8.481 ( -2.889 -7.531 4.233) 9.109 8.616 ( 2.389 -0.968 1.466) 2.966 8.815 ( 0.786 -0.855 -1.667) 2.032 9.185 ( -1.623 21.029 -1.260) 21.130 9.239 ( 5.033 -9.968 6.382) 12.862 9.474 ( 1.491 5.028 2.382) 5.760 9.921 ( 1.088 3.469 -0.801) 3.722 10.093 ( -0.279 1.927 -3.552) 4.050 10.203 ( 0.711 7.901 -0.535) 7.951 10.538 ( 3.550 0.281 3.161) 4.761 10.983 ( -0.781 0.145 -2.107) 2.252 11.208 ( -3.248 -1.480 0.155) 3.573 11.370 ( -11.912 -1.091 1.052) 12.008 11.533 ( 0.050 -1.328 -0.298) 1.362 11.645 ( -0.361 2.806 -0.103) 2.831 11.667 ( 1.307 6.473 0.768) 6.648 11.831 ( -3.862 3.151 -4.925) 7.007 12.243 ( 1.208 1.863 1.421) 2.636 12.747 ( 11.662 -2.337 -4.750) 12.808 13.400 ( 0.965 -7.152 8.835) 11.408 13.789 ( 5.862 1.597 -2.287) 6.492 14.022 ( 9.005 -0.786 -1.457) 9.156 14.786 ( -4.368 -2.110 -0.116) 4.853 14.870 ( -15.381 -4.573 2.064) 16.179 ======================= Grid point 108 (55/88) ======================= q-point: ( 0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 6.552 -4.604 -18.862) 20.491 1.110 ( -0.538 -4.924 -18.248) 18.909 1.374 ( 0.529 0.848 -10.826) 10.872 1.489 ( 3.662 15.152 7.190) 17.167 1.763 ( -2.324 5.701 -2.619) 6.690 1.804 ( -3.841 7.574 4.889) 9.799 1.842 ( -1.502 15.812 3.067) 16.177 1.986 ( -0.720 6.395 -0.178) 6.438 2.215 ( -2.625 11.547 -1.203) 11.902 2.356 ( 10.602 -2.689 1.569) 11.050 2.562 ( 2.420 1.263 -1.650) 3.189 2.663 ( 7.824 0.357 -0.992) 7.895 2.723 ( -6.348 -2.003 -5.399) 8.571 2.809 ( -3.436 1.993 -1.376) 4.203 3.023 ( 2.376 -1.767 -5.680) 6.405 3.106 ( 3.617 3.455 2.107) 5.428 3.187 ( 3.310 1.088 3.324) 4.815 3.260 ( 5.464 0.122 0.526) 5.491 3.316 ( 0.561 0.515 1.738) 1.897 3.391 ( -9.915 1.247 3.129) 10.471 3.512 ( 1.713 1.900 -0.367) 2.585 3.799 ( -3.027 -1.644 0.408) 3.468 3.906 ( -1.981 0.021 2.557) 3.235 3.958 ( -0.909 1.496 1.061) 2.047 4.166 ( 0.302 -5.158 7.614) 9.202 4.285 ( 2.792 -1.839 6.208) 7.051 4.347 ( 5.865 -7.561 -1.870) 9.750 4.464 ( -2.233 -4.847 1.735) 5.612 4.642 ( 5.232 -8.058 6.151) 11.408 4.721 ( -1.620 -1.015 5.146) 5.490 4.790 ( 0.879 0.274 2.854) 2.999 4.864 ( 2.711 0.781 1.524) 3.207 4.909 ( -2.688 1.253 -0.300) 2.981 5.061 ( -1.856 -4.942 -1.082) 5.388 5.169 ( -2.520 6.406 -0.218) 6.887 5.256 ( 0.882 4.019 0.498) 4.145 5.451 ( -1.393 -4.629 -1.493) 5.060 5.508 ( -5.492 1.023 -2.287) 6.037 5.700 ( 1.700 2.651 -3.624) 4.801 5.746 ( 1.963 0.326 0.178) 1.998 5.806 ( 2.717 -2.850 3.001) 4.951 6.007 ( 2.887 0.523 1.560) 3.323 6.080 ( -1.816 1.263 -4.488) 5.003 6.203 ( -0.417 -3.534 -0.902) 3.671 6.334 ( -8.813 -1.374 1.365) 9.024 6.391 ( 1.560 -11.510 0.966) 11.655 6.700 ( 0.934 4.684 -2.708) 5.490 6.811 ( -3.322 1.445 -1.290) 3.845 6.904 ( 2.711 -8.493 -3.164) 9.460 7.083 ( -1.982 -5.424 -1.136) 5.885 7.253 ( -3.236 5.275 -5.271) 8.129 7.316 ( 0.649 2.599 -5.078) 5.741 7.423 ( -2.612 3.137 -1.973) 4.534 7.515 ( 1.164 -4.943 2.038) 5.472 7.849 ( -0.867 6.340 2.283) 6.794 8.120 ( -1.570 -0.952 2.238) 2.895 8.178 ( 2.941 1.791 2.333) 4.160 8.315 ( -2.081 -0.235 0.119) 2.098 8.373 ( 4.498 1.195 -2.586) 5.324 8.417 ( -2.042 -1.243 3.758) 4.454 8.472 ( 1.958 -8.393 1.424) 8.736 8.666 ( 2.787 -0.858 1.166) 3.140 8.812 ( -1.169 -1.252 -2.806) 3.288 9.152 ( -0.599 17.501 0.019) 17.511 9.320 ( 2.458 -0.513 1.043) 2.719 9.499 ( 0.623 0.402 4.931) 4.986 9.934 ( 0.020 4.501 1.349) 4.699 10.064 ( -2.148 0.305 0.306) 2.191 10.233 ( 2.003 6.757 -2.426) 7.454 10.638 ( 6.690 -0.388 0.268) 6.706 10.971 ( -1.662 0.047 -1.882) 2.511 11.156 ( -5.421 -1.915 -0.335) 5.759 11.191 ( -1.717 -2.591 1.025) 3.273 11.541 ( 0.326 -2.222 -1.034) 2.472 11.637 ( -0.309 2.449 0.658) 2.554 11.690 ( 0.559 5.581 0.278) 5.616 11.787 ( -0.287 9.035 -2.724) 9.441 12.224 ( -2.415 2.009 -2.116) 3.788 12.956 ( 6.756 -4.561 -0.519) 8.168 13.356 ( -3.247 -8.584 9.075) 12.907 13.917 ( 6.778 0.819 -0.891) 6.885 14.155 ( 4.536 -1.055 -1.828) 5.003 14.588 ( -9.667 -0.128 -1.528) 9.788 14.759 ( -1.560 -1.242 0.263) 2.011 ======================= Grid point 109 (56/88) ======================= q-point: (-0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.903 -4.189 -12.519) 13.232 1.094 ( 0.440 -3.055 -19.057) 19.306 1.287 ( -5.824 -2.516 -14.246) 15.595 1.526 ( -2.405 17.900 7.650) 19.614 1.629 ( -5.423 12.522 1.951) 13.784 1.810 ( 0.573 2.377 4.307) 4.953 1.900 ( 6.660 10.466 2.207) 12.600 2.088 ( 9.222 8.644 1.478) 12.726 2.161 ( -2.998 8.647 -7.145) 11.610 2.438 ( -7.448 -1.685 -0.655) 7.664 2.499 ( -9.738 -1.693 -1.603) 10.013 2.601 ( 0.816 0.034 2.544) 2.671 2.753 ( 2.497 3.624 -6.353) 7.728 2.827 ( -2.780 -0.048 1.030) 2.965 3.002 ( -2.733 -1.097 -6.212) 6.875 3.119 ( -3.373 5.631 0.892) 6.624 3.168 ( -6.929 -0.678 4.135) 8.098 3.196 ( -2.761 3.064 2.623) 4.888 3.252 ( 2.244 0.868 5.687) 6.175 3.371 ( -3.835 0.755 -1.309) 4.122 3.554 ( 8.326 2.149 -0.816) 8.638 3.838 ( 5.597 -0.793 0.822) 5.712 3.874 ( -0.303 -3.119 2.288) 3.880 4.045 ( 5.188 -2.603 -0.126) 5.805 4.174 ( 1.091 -1.481 5.601) 5.896 4.358 ( -2.661 -7.109 -0.215) 7.594 4.410 ( 4.038 -3.349 7.766) 9.372 4.460 ( 2.150 -5.420 -2.193) 6.230 4.691 ( 0.266 -4.993 11.022) 12.103 4.747 ( 3.034 -3.576 1.512) 4.927 4.819 ( 1.272 -6.363 -1.095) 6.580 4.855 ( -0.626 -0.484 -3.109) 3.208 4.916 ( 2.076 6.028 3.295) 7.177 5.032 ( -1.610 -2.349 2.032) 3.498 5.129 ( -2.491 4.857 -1.825) 5.756 5.245 ( -0.283 3.691 1.462) 3.980 5.320 ( -7.120 4.003 0.016) 8.168 5.496 ( 0.434 -6.283 -2.128) 6.647 5.715 ( -0.678 0.848 -0.658) 1.269 5.775 ( 0.353 -1.729 0.141) 1.770 5.849 ( 1.960 2.244 -1.033) 3.153 6.041 ( -1.083 0.975 -6.184) 6.353 6.078 ( 3.207 1.207 2.528) 4.258 6.179 ( -6.907 -3.881 2.443) 8.291 6.233 ( 4.197 0.190 1.784) 4.564 6.458 ( 4.673 -12.375 0.644) 13.244 6.708 ( -0.242 1.650 -2.457) 2.970 6.779 ( 0.796 2.169 -2.696) 3.551 6.931 ( -0.980 -5.130 -5.616) 7.669 7.037 ( -3.401 -5.246 0.245) 6.257 7.134 ( -2.902 -0.074 -3.635) 4.652 7.381 ( 0.754 -1.313 -0.581) 1.622 7.424 ( 3.853 9.417 -4.579) 11.157 7.559 ( 3.747 -3.474 0.572) 5.142 7.825 ( -1.400 6.755 3.705) 7.831 8.047 ( -5.706 -0.413 2.104) 6.096 8.203 ( -1.416 2.184 1.959) 3.258 8.256 ( -2.484 -0.915 1.029) 2.840 8.374 ( -1.626 -0.848 4.719) 5.063 8.427 ( 0.568 0.400 2.167) 2.275 8.560 ( 5.755 -6.659 -4.914) 10.080 8.712 ( 1.558 -0.519 1.592) 2.288 8.769 ( -2.976 -1.893 -2.967) 4.609 9.167 ( 1.823 17.937 -1.234) 18.071 9.343 ( 0.263 2.469 -0.317) 2.503 9.492 ( -1.625 -2.911 6.179) 7.021 9.918 ( -1.674 3.889 1.990) 4.679 10.020 ( -2.481 -2.619 0.679) 3.671 10.270 ( 1.925 8.046 -3.114) 8.840 10.767 ( 4.997 -0.660 -3.774) 6.297 10.879 ( -5.242 0.943 1.933) 5.666 11.147 ( 4.479 -2.057 0.632) 4.969 11.219 ( 3.233 -4.258 -0.636) 5.384 11.541 ( -0.201 -2.951 -1.516) 3.323 11.636 ( 0.111 2.505 1.358) 2.852 11.684 ( -0.822 2.796 -0.731) 3.004 11.816 ( 2.671 15.536 -2.292) 15.930 12.180 ( -1.422 1.162 -2.044) 2.748 12.862 ( -13.983 -4.778 4.845) 15.551 13.415 ( 6.645 -7.480 4.807) 11.100 13.990 ( -1.564 -0.054 -1.316) 2.044 14.192 ( -0.100 -1.701 -4.554) 4.863 14.503 ( 2.353 0.683 1.445) 2.844 14.774 ( 3.217 -1.777 -0.137) 3.678 ======================= Grid point 110 (57/88) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -5.202 0.892 -10.077) 11.376 1.149 ( 5.766 -2.235 -9.962) 11.726 1.259 ( 2.698 -6.262 -13.005) 14.684 1.394 ( -7.864 19.502 7.177) 22.219 1.603 ( -0.409 14.310 -1.026) 14.352 1.811 ( -0.570 -1.727 5.495) 5.789 2.026 ( -1.229 11.073 -9.749) 14.804 2.083 ( -2.530 -0.819 0.013) 2.659 2.160 ( -7.932 6.873 1.177) 10.561 2.276 ( -11.907 3.317 -1.304) 12.429 2.291 ( 4.165 6.649 5.514) 9.590 2.553 ( -11.626 -3.818 2.529) 12.495 2.702 ( -0.141 1.560 3.230) 3.590 2.770 ( -0.793 4.838 -7.647) 9.084 2.954 ( -5.129 0.759 -1.584) 5.421 3.000 ( -6.120 7.174 1.823) 9.604 3.112 ( 0.573 -1.318 8.767) 8.884 3.185 ( 1.504 2.970 -2.988) 4.473 3.274 ( -0.695 -4.406 2.024) 4.898 3.471 ( 12.526 1.986 2.162) 12.866 3.709 ( 4.975 0.711 1.168) 5.159 3.831 ( -1.207 -2.978 2.392) 4.006 3.951 ( 2.707 -0.722 1.930) 3.402 4.094 ( 1.141 -4.448 1.416) 4.805 4.208 ( -3.263 -5.843 1.089) 6.780 4.330 ( 4.521 1.478 -6.124) 7.754 4.435 ( -3.341 -3.109 -0.093) 4.565 4.468 ( 2.119 -4.812 0.485) 5.280 4.703 ( -0.151 -8.284 8.072) 11.567 4.765 ( -1.727 -1.861 -3.575) 4.385 4.804 ( -4.139 -1.320 -1.647) 4.646 4.836 ( -0.683 -0.158 -0.784) 1.051 4.900 ( -2.747 -0.879 2.401) 3.753 5.065 ( -0.384 2.229 -1.065) 2.500 5.125 ( 8.248 6.566 3.522) 11.115 5.212 ( -3.456 2.981 0.577) 4.600 5.316 ( 5.382 0.010 5.296) 7.551 5.488 ( -1.060 -4.912 -1.425) 5.223 5.673 ( -3.417 1.374 -2.300) 4.342 5.743 ( -3.313 -1.731 -1.432) 4.003 5.878 ( 0.764 -0.763 -2.900) 3.095 6.026 ( -0.318 -1.225 -6.672) 6.791 6.084 ( -2.909 -8.373 3.673) 9.595 6.131 ( 2.134 2.602 3.388) 4.775 6.358 ( 7.941 3.844 3.678) 9.558 6.539 ( 2.976 -11.930 0.843) 12.324 6.702 ( 0.289 2.096 -1.378) 2.525 6.783 ( -3.730 2.194 -5.746) 7.193 6.892 ( 1.568 -1.454 -2.621) 3.383 7.002 ( 0.786 -1.785 -2.886) 3.483 7.162 ( 3.660 -2.569 -0.127) 4.473 7.390 ( 0.417 -1.690 -0.043) 1.741 7.474 ( 2.225 4.863 -2.066) 5.733 7.671 ( 7.271 -0.654 -0.258) 7.305 7.804 ( -1.113 5.537 5.491) 7.877 7.921 ( -7.383 1.870 0.434) 7.629 8.136 ( -4.035 1.087 1.072) 4.315 8.232 ( -1.041 -1.027 2.883) 3.233 8.362 ( 0.430 -1.013 4.012) 4.160 8.418 ( -1.635 0.024 1.338) 2.113 8.632 ( 1.099 -4.544 -3.919) 6.101 8.683 ( -4.359 -3.387 -0.531) 5.545 8.742 ( 0.288 -0.225 1.415) 1.461 9.190 ( -0.277 17.911 -0.672) 17.926 9.341 ( -0.084 1.651 -1.413) 2.175 9.458 ( -1.592 -2.215 4.919) 5.625 9.889 ( -1.054 2.434 0.293) 2.669 9.973 ( -2.242 -4.604 0.185) 5.125 10.297 ( 0.794 9.528 -3.338) 10.127 10.710 ( -6.134 0.880 -0.958) 6.270 10.919 ( 5.027 0.487 -0.930) 5.136 11.260 ( 5.688 -2.133 -0.746) 6.120 11.329 ( 9.302 -4.201 1.860) 10.375 11.538 ( 0.256 -3.043 -1.167) 3.269 11.642 ( 0.511 3.029 1.614) 3.470 11.669 ( -0.509 2.553 -0.540) 2.659 11.854 ( 0.978 12.805 -6.744) 14.506 12.190 ( 2.609 3.845 2.311) 5.189 12.574 ( -14.536 -3.812 4.755) 15.762 13.502 ( 1.767 -5.298 2.618) 6.168 13.848 ( -11.254 1.117 -2.050) 11.494 14.114 ( -7.699 -1.241 -7.308) 10.687 14.686 ( 12.023 -3.256 4.373) 13.201 14.884 ( 9.856 -4.872 1.622) 11.113 ======================= Grid point 111 (58/88) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 3.560 2.710 -4.274) 6.187 1.107 ( -14.740 9.094 8.350) 19.227 1.265 ( -0.853 0.429 -7.450) 7.511 1.390 ( 3.021 3.946 -5.601) 7.488 1.574 ( 2.542 5.130 1.199) 5.850 1.814 ( 0.372 7.836 4.742) 9.167 1.904 ( -6.897 2.516 -4.737) 8.738 1.988 ( -6.390 2.944 -2.909) 7.613 2.004 ( 1.084 8.181 4.996) 9.647 2.276 ( -4.619 -0.310 3.544) 5.831 2.343 ( 3.227 0.558 -1.444) 3.579 2.361 ( -2.072 4.015 2.499) 5.163 2.722 ( -4.209 5.137 -3.702) 7.604 2.755 ( 2.470 10.266 3.728) 11.198 2.779 ( -9.257 -0.195 0.041) 9.259 2.981 ( 2.696 0.467 0.965) 2.901 3.117 ( -1.493 0.267 2.002) 2.512 3.234 ( 2.318 2.464 -3.824) 5.106 3.297 ( 2.787 -4.268 6.900) 8.578 3.660 ( 1.668 -2.302 2.301) 3.657 3.718 ( 2.602 -0.116 1.597) 3.055 3.836 ( -0.344 -3.613 0.312) 3.643 3.990 ( 1.881 -0.937 -2.191) 3.036 4.066 ( -5.993 -0.419 6.896) 9.145 4.139 ( -0.680 -4.886 -4.065) 6.392 4.306 ( -3.411 -0.006 -11.781) 12.265 4.452 ( 1.314 -2.393 2.311) 3.577 4.511 ( 0.935 0.573 0.728) 1.317 4.654 ( -4.581 -9.065 0.290) 10.161 4.728 ( 1.312 1.354 -5.102) 5.439 4.769 ( -0.824 0.217 -3.240) 3.350 4.799 ( 0.420 1.433 3.142) 3.479 4.911 ( 1.438 0.340 3.652) 3.939 5.066 ( 0.770 -0.414 0.403) 0.962 5.161 ( -1.020 3.244 1.917) 3.904 5.259 ( 2.287 5.309 1.555) 5.987 5.411 ( 2.819 -5.948 0.417) 6.596 5.472 ( 0.461 -0.325 0.702) 0.900 5.597 ( -3.052 3.380 -2.757) 5.323 5.684 ( -2.383 -7.869 -0.207) 8.224 5.868 ( -1.185 -2.185 -0.790) 2.608 6.015 ( -0.636 -1.860 -6.058) 6.369 6.072 ( 0.974 -11.386 2.592) 11.718 6.165 ( 1.213 4.658 3.813) 6.140 6.499 ( 5.497 1.914 2.021) 6.161 6.559 ( -0.079 -7.090 0.386) 7.101 6.713 ( -1.639 1.246 -0.501) 2.119 6.725 ( 2.233 3.432 0.042) 4.095 6.937 ( 1.594 -2.071 -3.169) 4.107 7.049 ( 3.690 0.048 -3.777) 5.281 7.217 ( 1.172 0.913 -0.324) 1.521 7.390 ( -0.338 -3.206 0.097) 3.225 7.564 ( 7.084 1.665 -0.419) 7.289 7.744 ( -3.823 4.682 3.285) 6.879 7.779 ( -3.222 6.294 0.214) 7.074 7.842 ( 5.207 -3.357 1.049) 6.283 8.065 ( -3.934 1.093 3.029) 5.083 8.239 ( 2.083 -1.247 2.419) 3.427 8.370 ( -2.368 -2.010 0.770) 3.200 8.395 ( 2.233 0.472 1.274) 2.614 8.571 ( -7.090 -5.980 1.658) 9.422 8.619 ( -1.194 -1.840 -0.727) 2.311 8.748 ( -0.171 0.090 1.587) 1.598 9.146 ( -3.829 9.298 3.790) 10.746 9.340 ( -0.291 5.196 -3.487) 6.264 9.441 ( -0.587 0.535 0.986) 1.266 9.880 ( 0.006 1.194 -1.768) 2.134 9.951 ( 0.421 -3.746 -1.268) 3.978 10.293 ( -1.022 10.592 -3.093) 11.082 10.606 ( -4.678 1.542 0.491) 4.950 11.004 ( 3.726 1.408 -1.771) 4.358 11.346 ( 2.969 -2.918 -1.652) 4.478 11.516 ( 7.029 -2.421 1.963) 7.689 11.569 ( 3.949 -1.539 0.279) 4.247 11.654 ( 0.120 3.868 -0.452) 3.897 11.674 ( 1.984 1.621 1.784) 3.121 11.849 ( -0.138 6.086 -6.758) 9.096 12.229 ( -2.480 2.821 1.414) 4.014 12.388 ( -1.777 1.535 5.076) 5.593 13.471 ( -6.455 -4.104 -1.680) 7.831 13.654 ( -5.594 2.204 -0.245) 6.017 13.932 ( -10.082 -0.312 -4.909) 11.218 14.813 ( 2.734 -2.472 1.825) 4.113 15.166 ( 15.467 -12.916 3.669) 20.482 ======================= Grid point 112 (59/88) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -16.000 5.815 -8.431) 18.997 1.029 ( 3.295 4.183 -3.229) 6.227 1.265 ( -0.500 -0.402 -4.163) 4.212 1.567 ( 3.996 2.494 -0.372) 4.725 1.646 ( -1.862 -7.593 7.327) 10.715 1.840 ( 12.609 -0.536 4.392) 13.363 1.912 ( 1.626 7.116 -5.733) 9.281 2.136 ( -1.848 10.408 -4.684) 11.562 2.218 ( 1.180 7.748 1.275) 7.940 2.352 ( 7.173 9.669 2.912) 12.387 2.423 ( -0.583 7.187 1.340) 7.334 2.577 ( 2.743 10.284 -1.460) 10.744 2.649 ( -7.059 6.049 -4.087) 10.155 2.776 ( -3.314 9.922 7.467) 12.852 2.922 ( -2.811 3.471 3.369) 5.594 3.073 ( -1.566 -2.568 -0.632) 3.073 3.087 ( 5.307 1.283 -0.559) 5.489 3.220 ( -4.513 -0.691 -0.797) 4.635 3.315 ( 1.135 -0.612 4.429) 4.613 3.570 ( 2.119 -2.664 -1.758) 3.831 3.622 ( -3.141 -9.114 2.191) 9.886 3.818 ( -0.324 4.404 2.617) 5.133 3.893 ( -6.447 -0.749 -0.884) 6.550 4.006 ( -1.440 -0.475 2.206) 2.677 4.194 ( 1.002 4.314 2.335) 5.007 4.288 ( 1.991 -4.407 -0.059) 4.837 4.373 ( 0.179 -5.650 0.525) 5.677 4.435 ( -1.346 -5.214 6.251) 8.251 4.557 ( -0.895 4.344 -4.393) 6.243 4.722 ( -2.846 0.901 -2.674) 4.008 4.754 ( 1.822 -2.785 -5.687) 6.589 4.893 ( -1.265 -1.651 -0.046) 2.080 4.931 ( 5.382 -4.477 -0.803) 7.046 5.055 ( 0.013 1.244 0.966) 1.575 5.144 ( 4.131 -11.262 4.964) 12.982 5.326 ( -1.221 -0.569 -2.517) 2.854 5.405 ( -1.881 -9.626 -0.671) 9.831 5.414 ( 0.202 9.934 -4.123) 10.758 5.520 ( 0.071 1.432 -1.144) 1.834 5.599 ( -0.497 -0.770 -0.194) 0.937 5.787 ( 0.496 -3.881 2.559) 4.675 5.884 ( 2.184 -7.070 -2.069) 7.683 6.008 ( -0.160 -0.535 -1.137) 1.266 6.294 ( -0.155 2.055 3.976) 4.478 6.305 ( -1.040 -6.366 -4.269) 7.735 6.645 ( -2.727 1.101 0.500) 2.983 6.681 ( 0.995 -0.816 1.315) 1.840 6.893 ( 3.656 3.246 -4.101) 6.381 6.942 ( 0.844 -0.027 0.066) 0.847 7.109 ( 1.994 -0.361 -3.225) 3.809 7.245 ( 0.147 1.058 1.145) 1.565 7.316 ( -0.605 -0.887 0.991) 1.461 7.657 ( -2.610 3.857 -2.827) 5.448 7.771 ( -2.484 2.382 2.057) 4.010 7.856 ( 0.571 5.846 0.889) 5.941 7.972 ( 6.635 1.863 5.025) 8.529 8.040 ( -1.703 2.617 2.405) 3.941 8.251 ( -2.877 -2.097 1.853) 4.014 8.295 ( 2.845 -3.036 -0.296) 4.172 8.323 ( -1.589 -6.809 3.377) 7.765 8.439 ( 1.970 -0.915 -1.914) 2.895 8.559 ( -0.852 -2.387 1.951) 3.199 8.738 ( 0.061 -1.155 1.571) 1.950 8.877 ( -4.185 -12.337 4.152) 13.673 9.585 ( -1.456 12.848 1.264) 12.992 9.636 ( -1.904 12.379 2.598) 12.792 9.914 ( 2.587 3.308 -4.130) 5.890 10.008 ( 5.546 2.728 -8.146) 10.225 10.431 ( -1.177 6.106 -2.998) 6.903 10.572 ( -3.177 1.979 -0.280) 3.753 11.109 ( 0.337 4.824 -1.460) 5.051 11.296 ( -0.968 -3.233 -0.687) 3.444 11.591 ( -1.085 3.140 1.332) 3.579 11.657 ( 4.028 0.647 0.697) 4.139 11.710 ( 1.228 0.756 1.164) 1.854 11.723 ( -0.918 1.002 0.748) 1.551 11.893 ( 3.793 -1.246 -0.314) 4.004 12.059 ( -4.856 -4.965 -1.007) 7.018 12.619 ( 2.840 9.956 0.451) 10.363 13.220 ( -6.041 -7.691 -0.429) 9.789 13.705 ( 4.345 2.348 -0.255) 4.946 13.787 ( -4.245 0.690 -4.035) 5.897 14.785 ( 0.547 -2.993 1.636) 3.454 15.015 ( 1.087 -15.471 4.898) 16.264 ======================= Grid point 113 (60/88) ======================= q-point: ( 0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -1.908 8.564 -17.415) 19.501 1.034 ( -2.168 -4.955 -10.200) 11.545 1.274 ( 1.588 1.626 -1.949) 2.994 1.581 ( 2.544 -1.500 -4.362) 5.268 1.787 ( 9.508 7.499 9.064) 15.126 1.973 ( 3.897 7.479 -7.883) 11.544 2.099 ( 5.292 4.843 -6.809) 9.890 2.120 ( 7.935 4.637 2.653) 9.566 2.267 ( 1.792 11.463 -2.004) 11.774 2.348 ( -3.297 5.383 4.768) 7.911 2.505 ( 2.710 1.361 -0.143) 3.036 2.581 ( 1.460 2.397 -0.015) 2.807 2.684 ( 9.471 13.130 2.981) 16.461 2.728 ( -0.792 10.003 5.079) 11.247 2.876 ( 0.650 4.881 5.846) 7.644 3.016 ( -4.346 -3.222 -6.455) 8.422 3.142 ( 0.429 1.307 -0.559) 1.485 3.165 ( -0.660 0.489 5.123) 5.188 3.327 ( -0.905 1.526 0.504) 1.845 3.568 ( -2.679 -0.935 3.362) 4.399 3.618 ( 1.185 -4.507 1.066) 4.780 3.761 ( -3.836 -0.820 -0.118) 3.924 3.836 ( 2.007 -2.418 2.575) 4.063 3.994 ( -0.160 -3.793 0.967) 3.917 4.171 ( -2.972 4.161 1.739) 5.401 4.305 ( -2.022 -6.270 4.912) 8.217 4.371 ( -1.531 -1.065 4.839) 5.186 4.407 ( -1.199 -8.908 0.858) 9.029 4.544 ( -3.752 4.450 -0.676) 5.860 4.626 ( -2.262 0.405 -3.901) 4.527 4.794 ( 1.789 -2.610 -5.081) 5.985 4.866 ( -1.020 -1.094 -0.130) 1.501 4.961 ( -1.645 -8.446 -0.738) 8.637 5.113 ( 5.823 3.125 1.771) 6.842 5.209 ( -1.855 4.319 2.116) 5.155 5.319 ( -2.105 -6.239 -0.955) 6.654 5.342 ( 3.971 -10.106 -2.029) 11.046 5.454 ( 0.343 3.414 0.492) 3.466 5.539 ( 3.678 3.332 -2.943) 5.770 5.644 ( 4.082 -2.649 -2.059) 5.283 5.772 ( -2.171 -0.789 2.091) 3.116 5.939 ( 3.429 -4.368 -2.614) 6.137 6.025 ( 1.487 -3.485 0.529) 3.826 6.246 ( -3.533 -7.564 1.219) 8.437 6.285 ( -2.490 4.611 -2.417) 5.771 6.610 ( -1.359 -2.052 0.875) 2.613 6.671 ( -1.309 0.807 0.585) 1.646 6.868 ( -3.656 -3.014 -1.016) 4.846 6.991 ( 0.304 3.598 -2.863) 4.608 7.080 ( -1.425 0.628 -5.190) 5.419 7.273 ( -2.368 1.047 -0.302) 2.607 7.300 ( 3.020 -1.746 1.405) 3.761 7.589 ( -4.262 3.853 -1.869) 6.042 7.731 ( -5.181 -0.179 0.190) 5.188 7.818 ( 1.052 5.357 2.194) 5.884 8.048 ( 0.390 0.200 -2.205) 2.248 8.104 ( 5.479 2.981 4.596) 7.747 8.207 ( 1.509 -1.424 3.961) 4.471 8.297 ( 0.555 0.653 1.767) 1.963 8.367 ( 1.497 -5.370 -0.703) 5.619 8.495 ( 0.348 -2.047 0.333) 2.103 8.548 ( 1.135 -1.618 1.515) 2.491 8.762 ( 1.552 -2.112 0.043) 2.621 8.868 ( 3.946 -12.540 7.355) 15.064 9.556 ( -1.580 12.912 0.794) 13.032 9.619 ( 0.223 9.321 2.048) 9.546 9.971 ( 3.342 5.987 -3.939) 7.907 10.105 ( 4.515 4.093 -8.444) 10.413 10.405 ( -1.737 7.344 -3.186) 8.191 10.526 ( -1.287 1.123 2.896) 3.362 11.075 ( -3.350 4.778 -1.271) 5.972 11.253 ( -3.663 -2.063 0.312) 4.215 11.507 ( -5.192 0.540 1.652) 5.475 11.604 ( -9.069 -1.352 -1.016) 9.226 11.706 ( -0.308 2.582 -0.280) 2.615 11.726 ( 1.551 2.773 0.293) 3.191 11.950 ( -1.432 1.578 -4.880) 5.324 12.106 ( 9.921 -4.293 5.139) 11.969 12.662 ( 1.835 6.243 -2.456) 6.955 13.183 ( 1.576 -9.616 6.064) 11.477 13.760 ( 1.576 2.236 -3.839) 4.714 13.837 ( 8.495 0.052 -1.486) 8.624 14.781 ( -1.026 -2.710 1.009) 3.068 14.946 ( -7.804 -11.646 3.252) 14.391 ======================= Grid point 114 (61/88) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 7.758 4.268 -26.219) 27.674 1.006 ( 0.281 -5.821 -18.595) 19.486 1.323 ( 3.923 1.611 -3.892) 5.756 1.627 ( 1.668 -1.159 -2.305) 3.072 1.954 ( 5.057 7.205 2.756) 9.224 1.977 ( -1.085 12.926 -4.353) 13.682 2.147 ( 2.723 8.050 -2.697) 8.915 2.212 ( -5.890 8.060 4.521) 10.958 2.238 ( -0.892 12.468 -7.265) 14.457 2.378 ( 10.846 0.058 3.263) 11.327 2.568 ( 2.157 6.834 4.105) 8.259 2.624 ( 1.151 2.872 -1.624) 3.494 2.775 ( -0.888 0.521 -0.655) 1.220 2.816 ( 3.425 2.659 -2.048) 4.796 2.970 ( 8.996 8.345 4.506) 13.072 3.001 ( 5.151 1.032 0.715) 5.302 3.166 ( 4.066 2.089 -2.449) 5.186 3.190 ( 3.643 -1.096 3.594) 5.233 3.302 ( -1.119 4.008 1.261) 4.348 3.523 ( -2.607 5.089 3.062) 6.487 3.556 ( -4.718 -1.574 4.480) 6.694 3.763 ( 1.577 -6.209 1.230) 6.524 3.888 ( 1.250 -4.549 1.121) 4.849 4.025 ( 2.710 -5.489 1.478) 6.297 4.093 ( -4.702 0.147 3.898) 6.110 4.214 ( -5.889 -7.015 5.363) 10.614 4.272 ( -7.922 1.035 -1.167) 8.074 4.420 ( 2.400 -4.277 2.414) 5.466 4.425 ( -4.415 -4.279 4.859) 7.837 4.690 ( 4.588 0.315 -1.822) 4.947 4.784 ( -2.421 -2.764 0.649) 3.731 4.866 ( 0.047 -0.896 -1.281) 1.564 4.912 ( -2.077 -6.418 -0.160) 6.748 5.131 ( -4.005 8.005 1.411) 9.062 5.245 ( 5.070 -2.891 0.584) 5.865 5.284 ( 0.050 -3.977 -1.630) 4.299 5.348 ( -2.886 3.273 0.932) 4.462 5.545 ( 6.990 -6.724 2.201) 9.946 5.620 ( 2.130 -0.061 0.627) 2.221 5.704 ( 1.771 -3.291 -0.147) 3.740 5.747 ( 1.891 5.087 -2.649) 6.039 5.989 ( 1.738 -0.294 -3.271) 3.716 6.064 ( 2.817 -5.339 1.999) 6.359 6.174 ( -3.788 -5.601 0.452) 6.777 6.212 ( -4.389 0.897 -2.772) 5.268 6.516 ( -8.895 -1.240 0.481) 8.994 6.690 ( 3.224 -1.456 -0.625) 3.592 6.804 ( -2.416 -2.555 -0.492) 3.551 6.930 ( -4.595 1.811 -2.585) 5.575 7.059 ( -3.290 -1.592 -3.202) 4.859 7.256 ( 2.375 0.687 -3.462) 4.254 7.353 ( 1.121 -2.198 -1.785) 3.046 7.503 ( -3.594 4.468 -2.430) 6.228 7.585 ( -7.431 0.895 -0.548) 7.505 7.912 ( 5.538 4.238 1.493) 7.131 8.068 ( 2.665 -0.777 -2.572) 3.785 8.172 ( 1.969 3.041 2.922) 4.654 8.269 ( 2.985 -1.706 2.518) 4.261 8.318 ( 1.157 -0.277 2.390) 2.669 8.382 ( 0.466 -2.872 0.435) 2.942 8.457 ( -2.622 0.302 2.595) 3.701 8.593 ( 2.813 -1.281 0.515) 3.133 8.781 ( 0.551 -2.522 -0.478) 2.625 8.991 ( 6.651 -12.554 6.391) 15.579 9.530 ( -1.121 13.858 -0.227) 13.905 9.641 ( 1.650 8.522 0.947) 8.731 10.029 ( 2.521 7.545 -1.709) 8.137 10.147 ( -0.435 4.607 -5.331) 7.059 10.367 ( -1.102 8.474 -1.492) 8.674 10.542 ( 2.830 -0.042 2.194) 3.581 11.012 ( -2.453 3.203 -1.274) 4.231 11.178 ( -3.516 -1.307 0.121) 3.753 11.340 ( -12.302 -2.056 0.355) 12.478 11.493 ( -1.877 -3.555 -1.980) 4.481 11.695 ( -0.666 2.458 -0.005) 2.547 11.747 ( 0.276 1.790 -0.808) 1.983 11.947 ( 2.324 8.072 -1.658) 8.562 12.272 ( 5.377 0.209 5.609) 7.773 12.713 ( 4.849 -0.111 -4.662) 6.727 13.208 ( -1.262 -12.456 10.314) 16.221 13.833 ( 5.747 2.966 -3.168) 7.201 13.999 ( 8.196 -1.701 -2.471) 8.728 14.733 ( -5.768 -2.881 -0.599) 6.475 14.784 ( -6.261 -3.938 1.298) 7.509 ======================= Grid point 115 (62/88) ======================= q-point: ( 0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 4.413 0.741 -24.323) 24.732 1.016 ( 1.243 -4.718 -21.821) 22.360 1.391 ( 0.782 1.527 -12.191) 12.311 1.627 ( -0.424 -2.272 0.591) 2.386 1.919 ( -0.418 9.739 0.139) 9.749 1.966 ( -5.308 9.154 3.983) 11.306 2.155 ( 2.742 12.684 -2.820) 13.280 2.201 ( -2.193 14.603 -2.595) 14.993 2.299 ( 8.212 3.081 1.380) 8.879 2.509 ( -1.128 7.373 2.648) 7.915 2.589 ( 0.398 3.800 -1.069) 3.967 2.628 ( -1.721 -0.990 0.983) 2.216 2.722 ( 2.277 3.164 2.587) 4.679 2.839 ( 0.162 1.033 -2.595) 2.798 3.068 ( 2.540 6.474 -5.627) 8.946 3.150 ( 4.688 1.749 -0.240) 5.010 3.242 ( 0.059 4.774 -1.852) 5.121 3.263 ( 2.259 0.031 1.136) 2.528 3.360 ( 7.639 2.147 4.985) 9.371 3.410 ( -5.882 1.136 2.461) 6.476 3.544 ( -0.969 2.122 2.836) 3.672 3.761 ( -2.206 -2.217 0.698) 3.205 3.877 ( -0.366 -5.635 -2.014) 5.995 3.960 ( -5.749 -0.260 4.565) 7.346 4.061 ( 0.202 -5.557 6.780) 8.769 4.155 ( -0.051 -9.849 2.721) 10.218 4.274 ( 7.553 -0.356 0.406) 7.572 4.360 ( -2.647 -5.074 5.258) 7.772 4.481 ( 3.383 -6.221 3.217) 7.778 4.711 ( -2.607 -3.602 0.165) 4.449 4.733 ( -2.340 -3.479 3.536) 5.485 4.860 ( 0.059 -1.113 -1.775) 2.096 4.925 ( 2.840 -1.399 3.357) 4.614 5.082 ( -0.997 7.875 2.374) 8.285 5.220 ( -2.741 -9.312 -1.810) 9.875 5.290 ( -2.865 3.233 0.471) 4.345 5.375 ( 4.131 3.666 0.600) 5.556 5.541 ( -6.872 -0.001 0.340) 6.880 5.663 ( 2.775 -4.518 4.224) 6.779 5.742 ( 2.503 -0.755 2.058) 3.327 5.839 ( 4.950 3.874 -2.145) 6.641 6.030 ( 3.563 1.763 -1.491) 4.246 6.101 ( -0.937 -5.168 0.713) 5.301 6.138 ( -1.456 -4.171 -2.416) 5.035 6.149 ( 1.693 -3.000 -1.694) 3.838 6.324 ( -9.529 -1.820 -0.244) 9.704 6.764 ( 2.371 -4.876 -1.222) 5.558 6.771 ( 0.063 1.452 -2.453) 2.851 6.842 ( -3.699 1.042 -1.022) 3.976 6.974 ( -4.282 -4.531 -1.528) 6.419 7.280 ( -4.523 -2.589 -1.812) 5.518 7.327 ( 0.120 -0.128 -4.112) 4.116 7.486 ( 1.168 3.215 -2.916) 4.495 7.517 ( 1.193 3.858 -3.871) 5.594 7.972 ( 0.653 6.596 0.719) 6.667 8.112 ( 0.054 0.216 0.538) 0.583 8.203 ( 1.807 0.385 3.277) 3.762 8.297 ( -0.943 -2.977 1.443) 3.440 8.340 ( 1.145 -1.152 1.001) 1.908 8.393 ( 1.170 -3.732 1.150) 4.076 8.429 ( 0.413 3.485 0.456) 3.539 8.654 ( 3.387 -0.527 1.295) 3.664 8.776 ( -1.238 -1.966 -1.210) 2.620 9.092 ( 3.695 -12.242 4.925) 13.703 9.514 ( -0.469 14.392 -1.037) 14.437 9.670 ( 1.116 9.698 0.121) 9.763 10.046 ( -1.132 7.729 1.462) 7.947 10.092 ( -4.174 3.076 0.391) 5.199 10.383 ( 2.364 8.550 -3.222) 9.438 10.630 ( 6.271 -0.574 -1.278) 6.425 10.986 ( -1.209 1.625 -1.229) 2.369 11.114 ( -6.087 -1.771 -0.175) 6.342 11.149 ( -2.938 -2.021 0.341) 3.582 11.471 ( -0.834 -5.791 -2.817) 6.494 11.684 ( -0.430 2.441 0.512) 2.531 11.740 ( -0.718 1.358 -1.174) 1.933 12.036 ( 6.496 13.956 1.843) 15.504 12.286 ( -3.229 4.545 2.167) 5.981 12.839 ( 5.131 -7.110 -0.597) 8.789 13.135 ( -3.982 -13.816 8.689) 16.800 13.946 ( 5.454 2.330 -2.019) 6.265 14.124 ( 4.379 -2.238 -2.404) 5.473 14.595 ( -6.134 1.007 -1.812) 6.475 14.725 ( -1.535 -2.244 -0.219) 2.728 ======================= Grid point 116 (63/88) ======================= q-point: (-0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 3.695 0.204 -20.347) 20.681 1.031 ( 1.774 -3.382 -20.736) 21.085 1.282 ( -8.834 2.185 -14.623) 17.224 1.668 ( 3.193 -5.509 0.767) 6.414 1.879 ( -2.818 12.154 2.683) 12.762 1.975 ( 2.744 14.330 2.812) 14.859 2.049 ( -8.010 7.397 -0.659) 10.923 2.258 ( 2.993 5.138 -3.810) 7.061 2.382 ( -5.333 5.755 -4.017) 8.815 2.449 ( 2.580 5.535 2.816) 6.725 2.538 ( -4.988 9.504 -0.733) 10.759 2.614 ( -1.168 1.765 6.537) 6.871 2.775 ( -2.914 -3.009 4.244) 5.963 2.830 ( 0.766 2.893 -5.200) 6.000 3.082 ( -0.795 10.450 -5.668) 11.915 3.159 ( -4.646 1.249 -0.865) 4.888 3.214 ( -1.091 1.634 2.477) 3.161 3.258 ( -0.681 3.716 -1.905) 4.231 3.302 ( -3.540 4.973 3.973) 7.284 3.448 ( -2.514 5.624 2.972) 6.840 3.551 ( 7.753 -1.870 1.455) 8.107 3.788 ( 2.217 -4.731 0.521) 5.251 3.833 ( -1.563 -0.869 2.010) 2.691 3.942 ( 3.139 -8.280 4.370) 9.874 4.112 ( 1.598 -5.920 2.544) 6.638 4.184 ( 3.596 -9.880 2.014) 10.705 4.343 ( 2.337 -1.445 4.424) 5.208 4.408 ( 2.587 -0.421 -0.798) 2.740 4.540 ( 1.576 -7.305 3.547) 8.273 4.664 ( -0.282 -7.319 -0.590) 7.348 4.720 ( 1.262 -2.976 4.759) 5.753 4.850 ( -0.699 -0.035 -4.024) 4.085 4.972 ( 0.165 -0.710 5.111) 5.163 5.104 ( 2.827 8.149 2.317) 8.932 5.158 ( -2.954 -8.518 -0.283) 9.020 5.250 ( -1.117 3.717 0.536) 3.918 5.379 ( -5.841 4.673 -0.743) 7.517 5.444 ( 0.463 -0.971 2.834) 3.031 5.671 ( -1.803 -2.981 3.735) 5.107 5.765 ( -0.234 -0.165 -0.170) 0.333 5.884 ( -0.251 -0.331 -0.891) 0.983 6.033 ( -8.487 -8.258 -1.174) 11.900 6.082 ( -0.445 0.096 -0.268) 0.528 6.127 ( 4.743 2.913 -2.335) 6.036 6.246 ( 6.930 -1.949 2.428) 7.597 6.255 ( 2.955 -3.632 -2.341) 5.235 6.746 ( -1.138 2.332 -3.129) 4.065 6.761 ( -0.540 -3.130 -0.381) 3.199 6.873 ( 3.529 -1.841 -2.255) 4.575 6.927 ( -0.100 -4.147 -1.534) 4.423 7.165 ( -5.062 1.882 -2.204) 5.833 7.321 ( -0.721 -4.357 -1.090) 4.548 7.535 ( 2.267 1.702 -2.551) 3.814 7.574 ( 5.025 5.086 -5.667) 9.123 7.957 ( -1.570 6.785 2.279) 7.327 8.063 ( -4.468 2.054 0.543) 4.947 8.225 ( -2.376 -2.086 2.642) 4.120 8.247 ( -0.833 0.813 3.392) 3.586 8.342 ( -1.531 -1.736 3.301) 4.032 8.413 ( 0.699 -1.869 1.608) 2.562 8.489 ( 4.488 -0.453 -4.757) 6.556 8.709 ( 1.179 -2.135 1.641) 2.940 8.732 ( -2.495 0.234 -1.196) 2.777 9.135 ( 0.393 -13.221 3.088) 13.582 9.517 ( 1.126 15.641 -1.164) 15.725 9.682 ( 0.326 11.656 -0.391) 11.668 9.990 ( -4.099 4.884 2.899) 7.004 10.014 ( -4.280 1.986 2.100) 5.164 10.434 ( 2.748 9.029 -4.261) 10.355 10.751 ( 4.685 -1.204 -5.103) 7.032 10.909 ( -4.009 2.369 2.083) 5.101 11.100 ( 4.670 -2.501 1.245) 5.442 11.159 ( 2.479 -2.153 -0.900) 3.405 11.456 ( -0.511 -6.508 -2.400) 6.955 11.681 ( 0.092 2.324 0.746) 2.443 11.726 ( -0.602 1.790 -0.743) 2.030 12.133 ( -1.144 14.383 -1.817) 14.542 12.235 ( 2.862 6.370 3.413) 7.773 12.738 ( -12.789 -7.420 4.787) 15.541 13.214 ( 8.798 -13.253 4.378) 16.499 13.998 ( -1.413 1.070 -2.462) 3.033 14.149 ( -1.283 -2.718 -4.057) 5.049 14.531 ( 0.298 2.384 0.207) 2.411 14.728 ( 1.862 -3.036 -0.296) 3.574 ======================= Grid point 117 (64/88) ======================= q-point: (-0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -0.560 4.262 -19.348) 19.820 1.106 ( 8.013 -3.158 -17.863) 19.831 1.170 ( -0.555 -0.487 -9.310) 9.339 1.667 ( -6.484 -8.577 -1.432) 10.847 1.764 ( -10.351 15.830 6.210) 19.908 1.926 ( 3.759 11.983 0.305) 12.562 2.052 ( -2.823 2.102 -0.654) 3.580 2.165 ( -10.000 3.549 -0.973) 10.655 2.352 ( 1.249 6.064 1.935) 6.486 2.405 ( -8.541 11.615 -5.868) 15.565 2.431 ( -7.192 -0.733 2.926) 7.799 2.543 ( 0.198 9.334 5.112) 10.644 2.740 ( -0.060 4.465 3.800) 5.863 2.855 ( 2.177 2.341 -3.256) 4.563 2.987 ( -7.811 2.317 -1.851) 8.356 3.085 ( -3.262 5.337 3.035) 6.952 3.182 ( -4.492 0.305 -0.422) 4.522 3.236 ( 0.733 9.688 2.788) 10.107 3.264 ( 1.205 2.196 -1.662) 3.006 3.546 ( 9.660 5.457 1.838) 11.246 3.672 ( 0.454 -3.651 2.840) 4.648 3.730 ( -1.601 -7.924 1.979) 8.323 3.885 ( 2.954 -5.106 0.354) 5.910 4.042 ( 4.541 -4.676 6.956) 9.532 4.107 ( 0.624 -1.733 1.123) 2.157 4.283 ( 5.349 -7.874 2.767) 9.913 4.374 ( -4.436 -0.958 -3.499) 5.731 4.444 ( 7.309 1.918 -1.876) 7.786 4.508 ( -3.619 -7.748 5.569) 10.205 4.704 ( 3.135 -5.847 -1.007) 6.710 4.759 ( 0.661 -3.554 -0.755) 3.693 4.840 ( -0.713 0.383 -1.860) 2.028 4.902 ( -5.252 0.569 0.299) 5.292 5.090 ( -1.211 -7.149 1.932) 7.503 5.183 ( -1.493 -0.518 0.645) 1.707 5.279 ( 4.962 8.400 3.093) 10.235 5.299 ( -0.297 2.023 -1.569) 2.577 5.464 ( 1.004 0.791 5.516) 5.662 5.608 ( -4.689 -4.502 0.783) 6.548 5.747 ( -2.479 -0.947 -3.002) 4.007 5.844 ( -2.391 -3.453 -1.736) 4.544 5.887 ( -5.947 -8.353 -0.369) 10.260 6.066 ( -1.266 1.637 -2.978) 3.626 6.197 ( 3.282 4.565 1.070) 5.723 6.305 ( 2.162 -9.549 -0.639) 9.812 6.435 ( 10.408 2.163 3.196) 11.100 6.736 ( 0.599 0.433 0.247) 0.779 6.786 ( 0.631 0.068 -5.058) 5.098 6.881 ( 0.057 -0.058 -1.047) 1.050 6.965 ( 2.848 -1.169 -3.981) 5.033 7.160 ( 4.391 1.161 0.908) 4.632 7.309 ( -0.220 -5.230 -0.941) 5.319 7.560 ( 1.195 3.824 -1.342) 4.225 7.686 ( 6.452 1.419 -3.651) 7.548 7.927 ( -2.164 7.024 3.833) 8.289 7.968 ( -4.819 2.955 -0.241) 5.658 8.158 ( -2.660 -1.607 1.422) 3.418 8.230 ( -3.076 2.814 3.185) 5.247 8.313 ( -0.909 -3.979 5.379) 6.752 8.412 ( -0.900 -0.511 0.454) 1.130 8.542 ( 0.432 -3.209 -2.985) 4.404 8.641 ( -4.717 -2.125 -0.432) 5.191 8.743 ( 0.645 0.287 1.361) 1.533 9.098 ( -4.397 -14.221 1.989) 15.018 9.559 ( 2.953 16.915 -1.398) 17.227 9.686 ( 0.044 13.941 -0.244) 13.943 9.922 ( -2.464 1.305 1.206) 3.038 9.935 ( -3.625 1.268 0.998) 3.968 10.467 ( 0.657 8.330 -4.178) 9.342 10.725 ( -4.552 0.300 -2.756) 5.330 10.950 ( 5.765 3.113 0.095) 6.553 11.219 ( 4.932 -1.747 -0.856) 5.301 11.262 ( 10.311 -3.449 2.901) 11.253 11.455 ( 0.824 -6.132 -0.921) 6.255 11.688 ( 0.638 2.032 0.750) 2.258 11.718 ( -0.155 2.331 -0.450) 2.380 12.035 ( -6.023 5.664 -5.494) 9.927 12.330 ( 0.763 5.793 3.669) 6.900 12.515 ( -6.543 2.599 4.634) 8.429 13.345 ( 3.729 -11.302 3.530) 12.414 13.880 ( -9.440 2.222 -3.095) 10.180 14.073 ( -6.622 -3.099 -7.029) 10.142 14.626 ( 8.421 -2.089 3.916) 9.519 14.785 ( 4.129 -5.140 1.093) 6.683 ======================= Grid point 118 (65/88) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 2.882 5.709 -16.462) 17.661 1.157 ( -5.973 -0.608 -11.472) 12.948 1.278 ( 4.181 2.370 -0.223) 4.811 1.443 ( -4.291 -0.352 -0.778) 4.376 1.690 ( 1.414 0.896 7.187) 7.380 1.852 ( -12.946 -5.202 0.747) 13.972 1.967 ( -7.734 5.032 0.448) 9.238 2.089 ( 8.149 14.267 0.199) 16.431 2.252 ( -5.207 -1.445 2.479) 5.945 2.289 ( -3.991 15.826 -4.716) 16.989 2.446 ( 2.350 8.664 0.749) 9.009 2.539 ( -0.472 10.801 2.980) 11.214 2.777 ( -1.210 3.470 -0.879) 3.779 2.835 ( -4.076 5.646 0.462) 6.978 2.917 ( 2.351 3.603 4.506) 6.230 2.989 ( -2.322 0.283 -1.552) 2.807 3.136 ( -1.916 2.691 -0.937) 3.434 3.272 ( -0.447 0.360 -3.908) 3.950 3.291 ( 2.109 5.432 7.894) 9.811 3.577 ( -3.655 -7.680 1.086) 8.574 3.687 ( -2.198 -7.892 0.684) 8.221 3.752 ( 5.855 3.597 1.512) 7.036 3.946 ( 1.908 -4.085 -1.319) 4.698 4.062 ( -2.452 0.595 6.838) 7.289 4.149 ( 2.559 3.901 1.790) 4.997 4.283 ( -2.624 -2.704 -4.295) 5.714 4.370 ( 1.864 -6.189 2.624) 6.976 4.452 ( -1.663 -7.028 4.661) 8.596 4.559 ( 2.716 3.480 -1.756) 4.751 4.740 ( -0.729 -1.001 -5.640) 5.775 4.748 ( -0.340 -1.271 -4.246) 4.445 4.812 ( 3.941 -3.545 0.966) 5.388 4.896 ( 1.275 -1.139 0.343) 1.744 5.073 ( -1.084 -3.891 2.266) 4.632 5.125 ( -2.254 -6.083 2.586) 6.983 5.321 ( 2.725 2.225 -2.566) 4.354 5.362 ( 1.023 3.493 0.666) 3.700 5.500 ( 1.947 1.234 3.388) 4.098 5.509 ( -4.721 -6.772 -1.284) 8.354 5.660 ( -5.127 1.759 -3.651) 6.535 5.795 ( -2.416 -5.509 0.180) 6.018 5.850 ( 1.354 -8.158 -0.845) 8.313 6.033 ( -1.869 1.755 -2.634) 3.675 6.259 ( 2.876 4.734 2.324) 6.007 6.323 ( -0.090 -10.332 -1.019) 10.383 6.608 ( 6.891 1.574 2.467) 7.487 6.709 ( -3.729 0.850 -1.168) 3.999 6.801 ( 3.754 4.163 -1.634) 5.839 6.929 ( 2.277 -0.132 -1.581) 2.775 7.028 ( 4.504 -1.661 -3.052) 5.689 7.237 ( 2.097 0.705 0.038) 2.212 7.318 ( 0.507 -2.637 0.133) 2.688 7.618 ( 5.303 3.331 -0.518) 6.284 7.795 ( 3.570 -1.999 -0.678) 4.147 7.861 ( -3.607 7.284 0.842) 8.172 7.904 ( -1.435 6.425 3.355) 7.389 8.117 ( -4.454 4.128 3.572) 7.045 8.189 ( 2.424 -4.311 0.882) 5.023 8.303 ( -0.870 -5.055 4.540) 6.850 8.383 ( -2.117 -1.820 0.031) 2.792 8.485 ( -5.385 -1.921 -0.570) 5.746 8.578 ( -1.685 -2.254 0.921) 2.961 8.746 ( -0.360 -0.520 0.879) 1.083 8.987 ( -6.688 -13.576 2.337) 15.313 9.599 ( 0.581 15.662 0.046) 15.672 9.673 ( -1.601 14.884 1.404) 15.035 9.891 ( -0.461 0.502 -1.608) 1.747 9.924 ( 2.808 0.919 -4.393) 5.294 10.457 ( -1.239 6.723 -3.463) 7.663 10.641 ( -4.015 1.620 -1.647) 4.632 11.058 ( 4.833 4.390 -0.917) 6.593 11.291 ( 2.014 -2.682 -1.340) 3.611 11.482 ( 10.786 -1.808 2.929) 11.322 11.518 ( 6.779 -4.079 1.934) 8.145 11.700 ( 0.237 1.492 0.878) 1.748 11.721 ( 0.484 2.730 0.074) 2.773 11.926 ( -4.875 2.469 -4.790) 7.267 12.199 ( -9.218 -5.206 1.359) 10.674 12.550 ( 4.492 13.801 2.960) 14.812 13.343 ( -4.286 -9.439 0.098) 10.367 13.713 ( -5.733 3.784 -2.084) 7.178 13.917 ( -8.481 -1.517 -5.742) 10.354 14.752 ( 3.384 -3.543 2.376) 5.445 14.910 ( 8.305 -11.963 4.757) 15.320 ======================= Grid point 119 (66/88) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -9.432 6.550 -19.911) 22.985 1.041 ( -5.946 -3.176 -16.750) 18.055 1.336 ( -1.991 6.617 3.019) 7.541 1.470 ( -5.166 -7.605 1.727) 9.355 1.619 ( 14.755 3.298 6.444) 16.435 1.734 ( 13.604 -7.586 6.743) 16.973 2.056 ( 0.683 6.305 -1.399) 6.495 2.153 ( 0.308 -3.738 0.491) 3.783 2.443 ( 1.282 11.296 -0.742) 11.393 2.529 ( 2.942 3.593 1.174) 4.790 2.580 ( -3.191 8.071 -0.447) 8.690 2.655 ( -2.067 0.688 -3.807) 4.386 2.849 ( 0.084 8.445 0.450) 8.457 2.910 ( 0.706 -0.215 -4.445) 4.506 2.984 ( 0.564 5.048 2.895) 5.846 3.019 ( -5.891 -1.622 0.666) 6.146 3.038 ( 4.017 -3.601 -0.759) 5.448 3.160 ( -4.813 -5.125 4.227) 8.203 3.376 ( -1.008 5.679 3.741) 6.875 3.487 ( -1.840 -4.804 3.713) 6.344 3.601 ( 3.935 7.104 -2.676) 8.550 3.792 ( -0.606 -9.484 -2.495) 9.826 3.927 ( -4.969 4.906 7.460) 10.218 4.003 ( -5.129 -2.057 4.923) 7.401 4.208 ( 2.241 -1.026 1.742) 3.018 4.243 ( 1.208 -4.525 1.893) 5.051 4.361 ( -1.142 13.222 2.084) 13.434 4.458 ( -0.876 5.012 4.832) 7.017 4.645 ( -1.071 -0.583 -3.587) 3.789 4.659 ( 2.312 -6.339 -6.064) 9.072 4.668 ( -1.485 -8.881 -0.208) 9.007 4.764 ( -3.342 -5.628 0.448) 6.561 4.843 ( 4.883 -2.052 -2.508) 5.861 4.924 ( 4.432 -7.344 0.087) 8.578 5.118 ( 0.043 4.406 0.065) 4.407 5.213 ( -1.922 -5.959 -0.597) 6.289 5.437 ( -0.110 5.823 -1.666) 6.058 5.513 ( 0.841 -0.057 -4.339) 4.420 5.557 ( 0.513 0.601 0.899) 1.197 5.586 ( -2.280 -0.776 0.000) 2.409 5.737 ( 3.848 0.396 1.046) 4.008 5.786 ( 3.926 -3.694 -0.021) 5.391 6.046 ( -2.478 4.124 -2.205) 5.292 6.147 ( -2.111 -6.472 -2.028) 7.103 6.408 ( 1.132 7.067 1.441) 7.301 6.559 ( 0.169 -7.591 2.262) 7.923 6.743 ( -2.561 4.360 -2.311) 5.560 6.832 ( -3.164 -5.247 -4.187) 7.421 7.018 ( 4.989 4.860 -1.498) 7.124 7.086 ( 3.626 -2.202 -2.022) 4.700 7.284 ( -0.423 2.597 2.561) 3.672 7.317 ( -0.169 -0.422 1.699) 1.759 7.721 ( -0.840 2.856 -2.710) 4.026 7.770 ( -0.417 -2.100 -1.096) 2.406 7.972 ( -2.661 5.966 1.408) 6.683 8.035 ( 0.922 1.630 5.159) 5.488 8.098 ( 0.046 4.907 6.376) 8.046 8.177 ( -0.801 -3.308 1.934) 3.915 8.204 ( 0.791 -3.778 1.813) 4.265 8.231 ( 3.260 -5.972 3.416) 7.613 8.456 ( -0.460 2.290 -2.569) 3.472 8.509 ( -0.800 -3.005 1.175) 3.325 8.710 ( -1.120 -1.162 0.250) 1.633 8.725 ( -2.175 -3.493 -0.869) 4.206 9.737 ( -2.930 4.194 4.151) 6.588 9.768 ( -3.106 1.256 4.600) 5.691 10.030 ( 4.725 6.686 -6.576) 10.501 10.073 ( 5.996 2.238 -7.659) 9.981 10.516 ( -1.865 3.816 -2.542) 4.950 10.579 ( -2.802 -1.899 -3.210) 4.665 11.201 ( 0.129 3.945 -0.532) 3.982 11.248 ( -0.520 -1.783 0.006) 1.858 11.639 ( 4.729 1.357 0.703) 4.970 11.656 ( 6.519 -0.656 1.017) 6.631 11.714 ( -0.623 1.192 2.552) 2.885 11.738 ( -0.791 -0.390 0.163) 0.897 11.884 ( -0.515 1.318 0.767) 1.610 11.954 ( -3.677 -5.469 -0.397) 6.603 12.823 ( -1.641 11.261 1.363) 11.462 13.037 ( -4.977 -11.008 1.167) 12.137 13.753 ( 1.597 2.452 -2.713) 3.990 13.787 ( -1.519 -0.915 -4.381) 4.726 14.746 ( 0.929 -0.350 2.271) 2.478 14.801 ( 1.151 -6.797 3.672) 7.810 ======================= Grid point 120 (67/88) ======================= q-point: ( 0.14 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -3.222 8.420 -22.628) 24.358 0.925 ( -3.773 -6.487 -19.169) 20.586 1.345 ( 1.416 5.334 -0.803) 5.576 1.468 ( 2.138 -7.316 -3.835) 8.532 1.895 ( 13.029 5.169 5.432) 15.032 2.004 ( 12.076 -5.790 0.426) 13.399 2.142 ( 8.790 7.164 0.027) 11.340 2.234 ( 7.257 -0.860 2.117) 7.608 2.421 ( -3.397 6.762 1.066) 7.642 2.505 ( -5.656 2.112 -0.664) 6.074 2.543 ( -0.804 6.340 -0.823) 6.444 2.614 ( 0.614 0.643 -2.087) 2.268 2.856 ( -1.588 3.405 -0.126) 3.759 2.907 ( 0.124 -2.679 -5.210) 5.860 2.953 ( 2.195 9.609 -1.872) 10.032 3.021 ( 3.301 7.734 5.299) 9.939 3.108 ( 0.669 -4.695 3.125) 5.679 3.144 ( 3.277 -4.867 2.078) 6.225 3.392 ( 1.159 4.915 2.969) 5.858 3.460 ( -0.293 -2.893 4.832) 5.640 3.667 ( 2.481 4.045 -3.352) 5.809 3.760 ( -2.646 -3.727 -2.581) 5.249 3.816 ( -5.034 2.064 8.574) 10.155 3.891 ( -4.884 -6.233 5.284) 9.520 4.229 ( -1.567 -1.330 3.645) 4.184 4.248 ( -2.682 -2.829 3.347) 5.138 4.316 ( -2.531 8.884 1.415) 9.345 4.404 ( -4.222 3.764 4.177) 7.032 4.559 ( -7.071 -4.611 0.162) 8.443 4.639 ( -0.922 -4.522 -1.838) 4.967 4.714 ( 1.711 -4.956 -2.516) 5.816 4.743 ( 2.493 -2.155 -4.261) 5.386 4.887 ( 0.256 0.374 -1.664) 1.725 4.999 ( 1.754 -11.623 -0.133) 11.756 5.190 ( 6.778 2.506 0.901) 7.282 5.240 ( 5.716 -2.502 1.747) 6.479 5.402 ( -3.214 7.239 -2.303) 8.248 5.490 ( -2.399 -0.207 -1.622) 2.903 5.578 ( 1.269 -1.421 -0.183) 1.914 5.594 ( 1.971 -2.252 1.217) 3.231 5.818 ( 4.250 4.785 -1.978) 6.699 5.879 ( 5.515 -2.192 -1.882) 6.226 6.003 ( -1.743 1.721 -0.517) 2.504 6.093 ( -3.263 -6.833 -1.817) 7.787 6.403 ( -2.398 6.848 1.104) 7.339 6.538 ( -2.379 -6.119 1.781) 6.803 6.703 ( -1.633 2.476 -0.531) 3.013 6.770 ( -2.866 -5.072 -1.934) 6.139 7.049 ( -2.389 2.290 -3.844) 5.073 7.077 ( -2.632 -0.779 -3.981) 4.835 7.302 ( 1.508 1.333 1.541) 2.535 7.308 ( -0.036 1.072 1.688) 2.000 7.655 ( -5.005 3.162 -2.572) 6.455 7.709 ( -5.925 -2.302 -1.947) 6.648 7.926 ( 0.423 5.651 2.195) 6.077 8.014 ( -0.626 -3.305 1.186) 3.566 8.187 ( 5.078 2.864 8.484) 10.294 8.191 ( 3.057 1.827 0.661) 3.622 8.249 ( 1.845 -2.757 2.425) 4.109 8.304 ( 2.204 -3.966 0.804) 4.608 8.483 ( 2.352 0.997 0.197) 2.562 8.514 ( 1.802 -1.940 -0.179) 2.654 8.714 ( 1.139 -2.581 0.676) 2.901 8.718 ( 2.358 -2.722 1.141) 3.778 9.701 ( -0.914 4.043 2.507) 4.844 9.730 ( -0.858 1.502 3.085) 3.536 10.117 ( 4.329 7.571 -5.502) 10.311 10.178 ( 4.926 1.617 -6.495) 8.311 10.494 ( -0.431 2.759 -2.327) 3.635 10.533 ( -1.726 -0.999 -0.997) 2.229 11.175 ( -2.656 4.701 -0.418) 5.415 11.226 ( -2.166 -1.090 0.622) 2.503 11.519 ( -10.367 1.223 -0.117) 10.440 11.564 ( -10.885 -2.826 -1.235) 11.313 11.745 ( -0.180 1.400 -0.793) 1.619 11.755 ( 0.977 0.413 -0.493) 1.170 11.975 ( 5.136 1.434 -0.941) 5.415 12.023 ( 10.545 -3.793 3.654) 11.787 12.802 ( -0.784 8.458 2.591) 8.881 12.984 ( -0.802 -10.570 6.170) 12.265 13.803 ( 3.377 2.022 -4.159) 5.726 13.831 ( 5.846 -0.838 -3.474) 6.852 14.745 ( -1.112 -0.486 1.184) 1.695 14.785 ( -2.773 -5.108 2.091) 6.177 ======================= Grid point 121 (68/88) ======================= q-point: ( 0.29 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 3.867 5.825 -28.176) 29.030 0.902 ( 1.576 -5.387 -24.653) 25.284 1.384 ( 3.153 5.004 -4.632) 7.513 1.511 ( 2.535 -7.852 -6.013) 10.210 2.066 ( 2.590 5.553 1.254) 6.254 2.134 ( 0.874 0.692 -0.880) 1.420 2.299 ( 1.371 4.196 1.204) 4.575 2.316 ( -3.838 2.557 3.100) 5.557 2.339 ( 8.331 6.174 -2.914) 10.772 2.494 ( 2.287 -7.170 -4.769) 8.910 2.566 ( 3.714 10.730 3.535) 11.892 2.675 ( 5.014 -0.992 3.866) 6.409 2.829 ( -2.865 4.541 -4.213) 6.824 2.892 ( 2.096 0.907 -2.247) 3.204 3.051 ( 4.992 5.314 1.557) 7.455 3.120 ( 6.574 3.794 4.557) 8.853 3.153 ( 3.704 -1.309 -0.159) 3.931 3.198 ( 3.775 -0.547 2.554) 4.590 3.389 ( -0.174 5.385 1.572) 5.612 3.490 ( 1.145 -4.644 3.756) 6.082 3.644 ( -5.066 5.097 2.221) 7.522 3.689 ( -2.044 -0.725 -0.465) 2.218 3.808 ( 1.311 -2.301 2.987) 3.993 3.870 ( 2.840 -8.192 5.168) 10.094 4.123 ( -8.289 -0.241 2.672) 8.712 4.138 ( -8.250 -1.037 3.238) 8.923 4.273 ( -2.516 2.337 1.894) 3.921 4.337 ( -2.953 -1.515 3.502) 4.824 4.455 ( -2.784 3.333 0.893) 4.434 4.603 ( -2.622 -9.810 -0.533) 10.168 4.746 ( 1.642 1.604 -1.980) 3.032 4.804 ( 2.749 -3.686 -2.691) 5.328 4.880 ( -0.128 1.880 2.590) 3.203 4.998 ( -0.760 -11.292 0.818) 11.347 5.319 ( 0.015 6.327 0.454) 6.343 5.346 ( 2.804 4.513 -1.321) 5.474 5.383 ( 5.256 0.925 3.696) 6.492 5.468 ( 2.971 -2.341 0.419) 3.806 5.590 ( -0.891 -1.850 1.213) 2.385 5.612 ( 0.756 -5.058 2.252) 5.588 5.891 ( 2.620 7.934 -1.528) 8.494 5.978 ( 3.540 -0.088 -3.109) 4.713 5.994 ( 2.245 -2.267 0.276) 3.203 6.031 ( -2.300 -6.683 -3.544) 7.907 6.315 ( -6.261 6.898 0.915) 9.360 6.449 ( -7.615 -6.077 0.793) 9.775 6.685 ( 0.256 1.111 -0.327) 1.186 6.731 ( -1.196 -3.791 -0.054) 3.975 6.969 ( -4.466 2.407 -2.639) 5.719 7.020 ( -4.041 -2.736 -3.035) 5.747 7.286 ( -1.120 2.937 -2.273) 3.879 7.335 ( 0.130 -1.505 -2.530) 2.947 7.568 ( -3.123 2.275 -2.494) 4.599 7.591 ( -4.646 -0.338 -2.099) 5.109 7.996 ( 5.590 4.026 0.183) 6.891 8.049 ( 3.822 -1.605 -0.754) 4.213 8.226 ( -0.393 2.638 1.702) 3.163 8.256 ( 2.038 1.042 3.848) 4.478 8.282 ( 2.203 -2.930 0.737) 3.739 8.312 ( -1.123 -4.013 3.616) 5.517 8.510 ( 0.706 3.940 1.396) 4.239 8.568 ( 3.152 -1.828 0.501) 3.678 8.746 ( 2.086 -0.093 0.342) 2.116 8.807 ( 5.460 -6.576 2.546) 8.918 9.699 ( 0.344 4.907 0.670) 4.964 9.737 ( 1.264 1.197 1.448) 2.264 10.175 ( 1.479 6.971 -1.798) 7.350 10.232 ( 0.402 1.813 -2.890) 3.435 10.493 ( 0.745 4.065 -3.615) 5.491 10.533 ( 2.185 -0.947 -0.517) 2.437 11.105 ( -4.419 6.040 -0.235) 7.488 11.170 ( -3.158 -0.197 0.784) 3.259 11.306 ( -11.880 -0.315 -1.128) 11.937 11.386 ( -5.983 -7.144 -2.881) 9.754 11.736 ( -0.517 1.759 -0.789) 1.996 11.757 ( -0.292 -0.422 -1.328) 1.424 12.099 ( 7.876 7.638 1.175) 11.034 12.225 ( 9.938 -5.113 4.608) 12.089 12.777 ( -2.161 6.984 1.971) 7.572 12.964 ( -2.966 -12.205 8.752) 15.309 13.896 ( 6.116 3.456 -3.767) 7.971 13.957 ( 7.075 -2.790 -3.480) 8.363 14.701 ( -3.781 -0.225 -0.500) 3.820 14.723 ( -2.865 -2.374 0.212) 3.727 ======================= Grid point 122 (69/88) ======================= q-point: ( 0.43 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 3.035 3.869 -26.612) 27.062 0.932 ( 2.251 -4.273 -24.928) 25.391 1.440 ( 1.310 3.934 -10.742) 11.514 1.538 ( 0.114 -5.796 -7.575) 9.538 2.030 ( -2.228 4.168 1.046) 4.841 2.075 ( -3.551 1.011 2.178) 4.286 2.309 ( -0.838 3.772 -2.936) 4.853 2.331 ( -0.551 1.597 -1.756) 2.436 2.449 ( 4.255 4.305 3.380) 6.932 2.497 ( 0.324 -1.892 -1.116) 2.220 2.652 ( 3.740 7.987 4.200) 9.768 2.751 ( 0.861 -1.934 4.341) 4.830 2.801 ( -0.161 9.609 -2.555) 9.945 2.897 ( -0.736 2.981 -1.620) 3.472 3.143 ( 4.005 2.694 1.810) 5.155 3.220 ( 3.304 -4.082 1.338) 5.419 3.245 ( 5.152 5.272 -1.893) 7.611 3.318 ( 6.823 -0.557 -0.527) 6.866 3.393 ( 0.695 3.787 2.730) 4.720 3.445 ( -5.614 0.712 0.869) 5.725 3.584 ( -0.997 2.251 2.391) 3.432 3.680 ( 0.847 -7.872 4.323) 9.020 3.794 ( -3.461 2.571 -0.141) 4.313 3.898 ( -3.887 -6.268 0.481) 7.391 4.005 ( -1.793 -0.832 2.144) 2.916 4.018 ( -2.274 -3.061 2.081) 4.344 4.276 ( 3.337 0.733 5.188) 6.212 4.307 ( 1.769 -1.361 3.190) 3.893 4.440 ( 0.217 1.927 0.575) 2.022 4.548 ( -2.846 -8.663 -1.251) 9.204 4.751 ( -1.602 2.538 2.986) 4.233 4.818 ( -0.275 -3.513 -1.253) 3.740 4.918 ( 3.020 0.960 4.247) 5.299 4.996 ( 0.590 -8.563 2.915) 9.065 5.265 ( -2.240 8.136 -0.228) 8.442 5.357 ( -1.928 -0.046 -0.108) 1.932 5.427 ( -0.151 3.479 4.035) 5.330 5.521 ( -3.580 -3.575 3.555) 6.183 5.609 ( 5.350 1.278 1.063) 5.602 5.691 ( 6.998 -5.040 1.874) 8.825 5.886 ( -2.456 1.840 1.346) 3.351 5.946 ( -3.893 -5.038 -1.372) 6.513 6.067 ( 5.101 1.826 -2.152) 5.829 6.100 ( 4.836 -1.950 -1.047) 5.318 6.202 ( -3.957 4.652 -1.867) 6.386 6.280 ( -8.225 -3.129 -1.118) 8.871 6.710 ( 1.484 -0.513 -0.462) 1.637 6.740 ( 2.713 -3.171 0.460) 4.199 6.877 ( -5.058 2.576 -1.771) 5.946 6.924 ( -4.865 -2.043 -2.359) 5.780 7.256 ( -2.331 0.937 -2.952) 3.877 7.298 ( -3.072 -2.612 -4.044) 5.711 7.549 ( 0.942 2.763 -3.294) 4.402 7.569 ( 2.072 0.979 -4.398) 4.959 8.085 ( 2.228 4.481 -1.455) 5.212 8.120 ( 2.126 0.117 -1.066) 2.382 8.205 ( -0.319 0.801 3.593) 3.695 8.254 ( -3.098 -2.680 4.109) 5.803 8.297 ( 1.160 -1.278 0.974) 1.982 8.330 ( 2.476 -2.813 0.555) 3.788 8.521 ( 0.625 5.621 0.409) 5.671 8.618 ( 1.879 -3.933 1.292) 4.546 8.780 ( 1.118 3.197 0.250) 3.396 8.892 ( 2.989 -8.404 2.504) 9.264 9.709 ( 0.714 6.313 -0.660) 6.388 9.766 ( 1.497 0.502 0.172) 1.588 10.161 ( -3.023 4.953 2.665) 6.385 10.191 ( -4.051 3.195 2.022) 5.542 10.534 ( 3.542 6.400 -5.324) 9.047 10.609 ( 5.524 -2.000 -3.908) 7.056 11.033 ( -2.847 3.200 -0.531) 4.316 11.093 ( -6.616 -2.554 0.045) 7.092 11.148 ( -1.975 5.014 -0.641) 5.426 11.314 ( -2.146 -10.203 -2.426) 10.705 11.727 ( -0.371 1.901 -0.558) 2.016 11.750 ( -0.412 -0.368 -1.202) 1.322 12.266 ( 8.980 9.680 4.136) 13.837 12.362 ( 2.307 0.930 6.584) 7.038 12.743 ( -1.064 -0.305 0.498) 1.213 12.875 ( -4.612 -12.294 6.013) 14.442 14.003 ( 4.522 3.501 -2.872) 6.400 14.070 ( 4.261 -3.336 -2.933) 6.155 14.627 ( -3.318 2.317 -1.599) 4.351 14.677 ( -1.908 -2.736 -0.947) 3.468 ======================= Grid point 123 (70/88) ======================= q-point: (-0.43 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 3.725 3.114 -24.527) 25.003 0.966 ( 2.835 -3.540 -23.693) 24.123 1.370 ( -6.847 6.858 -12.337) 15.688 1.523 ( -1.716 -8.552 -7.420) 11.452 2.025 ( 0.614 3.316 1.928) 3.885 2.055 ( 0.069 0.588 3.354) 3.406 2.235 ( -5.493 5.021 -1.746) 7.644 2.293 ( 0.179 -1.028 -2.221) 2.455 2.450 ( -7.711 6.133 2.161) 10.087 2.537 ( -1.014 -1.194 2.709) 3.129 2.673 ( -1.303 4.953 4.664) 6.927 2.718 ( -0.840 1.003 4.333) 4.526 2.785 ( -0.366 9.441 -2.891) 9.880 2.895 ( -0.228 1.544 -3.275) 3.628 3.167 ( -2.204 -0.440 0.836) 2.398 3.192 ( -7.188 -2.351 0.250) 7.567 3.298 ( -0.487 6.583 -2.258) 6.976 3.347 ( -2.229 3.646 0.620) 4.318 3.411 ( 5.053 7.052 -1.190) 8.757 3.493 ( 7.369 -3.571 3.447) 8.885 3.554 ( -0.660 5.337 3.055) 6.185 3.704 ( -1.158 -8.215 2.697) 8.724 3.773 ( 2.605 -2.059 1.847) 3.800 3.803 ( -2.930 -2.317 0.949) 3.854 4.013 ( 1.388 -3.365 3.046) 4.746 4.032 ( 4.535 -5.195 3.623) 7.790 4.356 ( 5.160 3.125 3.064) 6.766 4.419 ( 3.853 0.407 -0.886) 3.975 4.458 ( 3.367 -2.282 -1.944) 4.509 4.505 ( -1.168 -7.464 -1.087) 7.633 4.709 ( -1.928 2.448 5.892) 6.666 4.809 ( -0.590 -5.872 -0.668) 5.939 4.950 ( -0.467 0.215 3.699) 3.734 4.998 ( -1.767 -4.746 2.047) 5.462 5.250 ( 0.479 6.143 0.764) 6.209 5.323 ( -1.167 0.169 0.824) 1.439 5.416 ( -1.197 1.653 3.957) 4.453 5.458 ( -1.067 0.324 3.423) 3.600 5.658 ( -0.859 3.399 1.174) 3.697 5.772 ( -0.184 -1.028 0.601) 1.205 5.817 ( -4.478 -5.857 1.078) 7.451 5.856 ( -5.727 -5.387 0.130) 7.863 6.095 ( -0.889 0.952 -0.244) 1.325 6.127 ( 0.367 -2.388 -0.567) 2.482 6.241 ( 5.052 2.982 -2.797) 6.499 6.271 ( 7.504 0.078 -1.882) 7.737 6.727 ( 0.318 0.422 0.543) 0.758 6.768 ( -1.495 -2.489 0.230) 2.913 6.839 ( 2.976 2.178 -1.596) 4.018 6.893 ( 2.430 -1.999 -3.671) 4.835 7.195 ( -3.238 1.730 -2.345) 4.356 7.244 ( -2.264 -3.452 -2.455) 4.803 7.587 ( 2.648 3.234 -4.120) 5.869 7.625 ( 3.495 0.050 -5.284) 6.335 8.064 ( -2.698 4.177 0.505) 4.998 8.105 ( -2.915 0.942 -1.125) 3.264 8.183 ( -4.089 -0.811 5.833) 7.169 8.221 ( 0.197 -3.002 2.986) 4.239 8.330 ( 1.611 1.267 0.045) 2.050 8.376 ( 2.042 -2.514 0.183) 3.244 8.533 ( 0.464 4.619 -0.382) 4.658 8.632 ( -0.785 -5.076 1.208) 5.277 8.785 ( -0.406 4.788 -0.116) 4.807 8.917 ( -0.476 -9.242 1.306) 9.346 9.731 ( 1.871 6.730 -1.586) 7.163 9.792 ( 1.322 0.370 -0.739) 1.559 10.078 ( -5.158 4.483 4.188) 8.015 10.101 ( -5.265 3.423 3.754) 7.316 10.599 ( 2.785 7.763 -6.289) 10.372 10.708 ( 3.603 -3.720 -6.471) 8.288 10.978 ( -1.086 4.738 1.628) 5.127 11.054 ( 2.817 -2.854 1.445) 4.263 11.155 ( 1.998 3.027 -0.601) 3.676 11.293 ( -0.019 -9.850 -1.412) 9.951 11.722 ( -0.071 1.854 -0.429) 1.904 11.743 ( -0.204 -0.137 -1.010) 1.040 12.293 ( -7.426 6.660 3.183) 10.470 12.388 ( -0.230 0.640 5.673) 5.713 12.685 ( -1.070 6.999 2.812) 7.618 12.936 ( 8.393 -15.433 3.313) 17.877 14.034 ( -1.824 2.679 -3.391) 4.691 14.092 ( -1.980 -3.190 -3.808) 5.348 14.590 ( -0.138 3.650 -0.496) 3.686 14.662 ( 0.590 -3.771 -0.537) 3.854 ======================= Grid point 124 (71/88) ======================= q-point: (-0.29 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 4.512 3.574 -26.479) 27.098 1.039 ( 6.105 -3.311 -25.895) 26.810 1.255 ( -2.567 8.680 -2.869) 9.495 1.461 ( -3.757 -11.933 -3.523) 12.997 1.953 ( -12.818 5.261 4.314) 14.512 2.005 ( -6.056 -0.235 0.866) 6.122 2.203 ( -2.382 7.302 -0.756) 7.718 2.246 ( -5.349 6.512 4.419) 9.516 2.321 ( -10.051 -6.016 2.623) 12.004 2.367 ( 3.573 -3.619 0.933) 5.171 2.668 ( -2.573 10.384 0.307) 10.702 2.719 ( -0.468 6.266 4.164) 7.538 2.836 ( 4.373 4.070 0.121) 5.975 2.885 ( 0.143 1.473 -6.619) 6.782 3.020 ( -8.311 1.434 -0.067) 8.435 3.097 ( -4.508 -4.266 0.954) 6.279 3.265 ( -3.669 1.360 -1.189) 4.089 3.287 ( -2.736 3.103 1.092) 4.278 3.473 ( 1.595 12.698 0.723) 12.818 3.576 ( -3.042 0.903 4.024) 5.124 3.590 ( -0.650 -4.610 2.188) 5.144 3.700 ( 5.840 2.850 -0.138) 6.500 3.773 ( 2.849 -5.061 1.246) 5.940 3.877 ( 6.102 -10.334 5.739) 13.303 4.120 ( 8.476 1.730 4.643) 9.818 4.167 ( 8.271 -3.563 4.580) 10.104 4.377 ( -2.913 2.927 2.213) 4.685 4.438 ( -2.191 -0.738 -1.361) 2.683 4.502 ( 4.761 1.236 -6.077) 7.818 4.560 ( 3.898 -7.408 -0.340) 8.378 4.706 ( 0.790 0.191 1.262) 1.501 4.806 ( 0.490 -7.084 0.683) 7.134 4.901 ( -4.336 -1.086 1.191) 4.626 4.912 ( -6.113 -2.477 -0.712) 6.634 5.248 ( -1.839 3.911 1.309) 4.516 5.308 ( -1.067 -1.888 1.053) 2.411 5.417 ( 1.985 5.503 2.137) 6.228 5.478 ( 1.189 -0.767 4.746) 4.952 5.587 ( -5.492 4.155 -1.632) 7.077 5.712 ( -3.720 -4.458 1.576) 6.016 5.742 ( -3.212 -3.883 -0.448) 5.059 5.768 ( -3.275 -4.053 -0.051) 5.211 6.093 ( 0.269 1.726 -2.485) 3.038 6.154 ( 1.726 -5.030 -2.551) 5.899 6.322 ( 3.185 6.513 0.833) 7.297 6.426 ( 7.319 -3.629 1.531) 8.312 6.750 ( 3.039 2.364 0.921) 3.959 6.798 ( 4.620 -1.262 -2.661) 5.479 6.887 ( 0.749 2.409 -1.080) 2.744 6.946 ( 1.528 -2.206 -4.869) 5.559 7.183 ( 2.976 1.480 0.394) 3.347 7.226 ( 1.330 -3.211 -0.769) 3.560 7.631 ( 2.130 3.838 -2.710) 5.158 7.689 ( 3.437 -1.590 -4.001) 5.509 8.018 ( -2.264 2.820 0.598) 3.665 8.054 ( -1.171 2.992 -1.609) 3.593 8.106 ( -3.993 0.187 5.605) 6.884 8.205 ( -1.571 -5.836 3.324) 6.898 8.325 ( -3.001 4.405 2.926) 6.081 8.391 ( -0.980 -2.210 1.170) 2.685 8.528 ( -1.196 1.845 -0.258) 2.214 8.589 ( -3.316 -3.502 1.264) 4.986 8.768 ( -1.301 2.971 -0.966) 3.385 8.875 ( -3.706 -8.701 -0.514) 9.472 9.779 ( 2.756 5.758 -1.682) 6.602 9.821 ( 1.766 0.790 -0.729) 2.067 9.987 ( -4.128 4.627 2.568) 6.712 10.007 ( -4.271 3.686 2.254) 6.075 10.611 ( -1.334 6.699 -5.737) 8.920 10.705 ( -2.677 -2.855 -5.524) 6.770 11.046 ( 6.800 6.836 1.933) 9.834 11.177 ( 8.261 -5.737 2.486) 10.360 11.218 ( 5.711 2.009 0.627) 6.086 11.314 ( 2.657 -7.642 -0.056) 8.091 11.724 ( 0.306 1.659 -0.438) 1.743 11.742 ( 0.197 0.054 -0.973) 0.994 12.134 ( -8.514 5.864 -0.045) 10.338 12.263 ( -9.768 -7.244 2.605) 12.437 12.762 ( 5.783 17.161 3.754) 18.494 13.082 ( 5.477 -15.945 3.807) 17.284 13.933 ( -7.709 3.370 -4.378) 9.484 14.004 ( -6.594 -3.937 -5.758) 9.599 14.627 ( 3.742 2.153 2.138) 4.817 14.693 ( 2.384 -4.412 1.102) 5.134 ======================= Grid point 125 (72/88) ======================= q-point: (-0.14 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 0.862 6.433 -26.763) 27.539 1.115 ( 0.914 -3.829 -25.238) 25.543 1.347 ( 10.932 4.362 4.912) 12.754 1.430 ( -0.088 -2.731 2.000) 3.386 1.639 ( -13.798 0.601 9.806) 16.938 1.737 ( -17.566 -7.005 5.431) 19.676 2.090 ( -3.766 6.131 0.460) 7.210 2.191 ( -3.544 -4.514 2.329) 6.194 2.346 ( 7.517 11.580 -0.267) 13.809 2.480 ( 3.848 -0.451 0.537) 3.911 2.628 ( -0.592 9.590 -1.952) 9.804 2.674 ( -2.974 4.583 2.276) 5.918 2.882 ( -0.414 2.402 -5.177) 5.722 2.898 ( -1.151 0.011 -4.261) 4.414 2.925 ( 2.066 2.781 1.928) 3.965 3.023 ( -3.199 0.533 3.438) 4.726 3.176 ( -6.252 -0.318 -0.102) 6.260 3.236 ( -2.961 -1.647 2.339) 4.117 3.453 ( -7.015 2.728 3.838) 8.449 3.508 ( 1.100 2.430 2.366) 3.566 3.551 ( -0.747 2.813 -0.508) 2.955 3.782 ( 1.933 -9.889 -1.449) 10.179 3.900 ( 6.966 4.751 4.128) 9.388 4.005 ( 5.419 -5.847 4.528) 9.168 4.209 ( -1.692 1.893 3.113) 4.017 4.257 ( -0.820 -2.943 5.060) 5.911 4.345 ( 1.675 9.533 1.647) 9.818 4.430 ( 2.570 2.581 0.684) 3.706 4.589 ( 4.268 -4.031 -5.499) 8.044 4.637 ( 3.892 -10.532 0.222) 11.230 4.702 ( -1.865 1.344 -2.121) 3.128 4.782 ( -1.254 -1.204 -2.305) 2.887 4.827 ( -3.462 -5.827 1.109) 6.868 4.865 ( 1.967 -5.109 -1.535) 5.686 5.172 ( -4.856 4.709 0.832) 6.815 5.276 ( -3.334 -6.171 0.952) 7.078 5.431 ( -0.384 4.929 -1.032) 5.051 5.492 ( 1.156 0.034 -1.880) 2.207 5.543 ( 0.843 4.222 1.769) 4.654 5.648 ( -3.559 -4.460 -0.628) 5.740 5.703 ( -0.490 -1.224 0.455) 1.394 5.740 ( 0.637 -4.012 0.888) 4.158 6.086 ( -1.214 3.409 -3.109) 4.771 6.170 ( -0.102 -5.915 -2.379) 6.376 6.374 ( 2.294 7.631 2.094) 8.239 6.527 ( 3.273 -7.536 2.216) 8.510 6.792 ( -1.537 5.246 -2.649) 6.074 6.866 ( 2.005 -0.338 -5.418) 5.787 6.914 ( 3.136 1.532 1.465) 3.786 6.982 ( 5.203 -3.404 -1.933) 6.511 7.257 ( 3.450 1.977 1.016) 4.104 7.293 ( 3.447 -1.284 0.647) 3.735 7.680 ( 3.506 3.364 -1.108) 4.983 7.746 ( 2.450 -3.270 -1.475) 4.344 7.986 ( -0.714 5.274 -0.343) 5.333 8.033 ( -2.005 6.752 6.347) 9.482 8.091 ( 3.169 -4.177 -2.163) 5.672 8.184 ( -0.590 -5.588 2.029) 5.975 8.222 ( -6.754 4.444 6.845) 10.594 8.321 ( -6.394 -4.591 3.613) 8.662 8.491 ( -2.432 1.757 -1.369) 3.298 8.534 ( -2.057 -2.475 1.531) 3.564 8.739 ( -1.644 0.378 -0.983) 1.952 8.792 ( -4.421 -6.200 -1.637) 7.789 9.792 ( -2.063 4.643 3.328) 6.073 9.826 ( -2.288 0.726 4.038) 4.698 9.962 ( 2.017 5.591 -4.425) 7.410 9.981 ( 2.749 3.565 -5.073) 6.782 10.564 ( -2.804 5.062 -3.977) 7.021 10.640 ( -3.446 -2.236 -4.356) 5.988 11.162 ( 4.198 5.915 0.173) 7.255 11.247 ( 1.036 -2.556 -0.486) 2.800 11.432 ( 12.938 -2.809 4.771) 14.073 11.440 ( 11.321 -2.860 2.148) 11.872 11.730 ( 0.037 1.509 -0.268) 1.533 11.747 ( 0.210 -0.021 -0.794) 0.822 11.983 ( -7.300 4.168 -0.768) 8.441 12.084 ( -8.661 -6.202 0.942) 10.694 12.836 ( 1.243 15.488 2.065) 15.675 13.118 ( -1.946 -13.867 1.574) 14.091 13.791 ( -5.550 4.303 -3.870) 8.019 13.868 ( -6.411 -3.538 -5.388) 9.091 14.706 ( 3.411 -0.526 2.940) 4.534 14.749 ( 3.361 -5.159 3.134) 6.909 ======================= Grid point 147 (73/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -0.000 0.000 0.000) 0.000 0.965 ( 0.000 0.000 -0.000) 0.000 1.111 ( 0.000 0.000 0.000) 0.000 1.381 ( 0.000 0.000 0.000) 0.000 1.405 ( 0.000 0.000 0.000) 0.000 1.670 ( -0.000 0.000 0.000) 0.000 1.784 ( -0.000 0.000 0.000) 0.000 2.090 ( -0.000 0.000 0.000) 0.000 2.196 ( -0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 -0.000) 0.000 2.350 ( -0.000 0.000 0.000) 0.000 2.359 ( -0.000 0.000 0.000) 0.000 2.598 ( -0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.633 ( -0.000 0.000 0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 3.214 ( -0.000 0.000 -0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.317 ( -0.000 0.000 0.000) 0.000 3.654 ( -0.000 0.000 0.000) 0.000 3.817 ( -0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.953 ( 0.000 0.000 -0.000) 0.000 3.983 ( -0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.168 ( -0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.509 ( -0.000 0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.706 ( -0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 4.999 ( 0.000 0.000 0.000) 0.000 5.101 ( 0.000 0.000 0.000) 0.000 5.124 ( -0.000 0.000 0.000) 0.000 5.194 ( -0.000 0.000 0.000) 0.000 5.483 ( -0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 5.894 ( 0.000 0.000 0.000) 0.000 5.952 ( -0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 0.000) 0.000 6.595 ( -0.000 0.000 0.000) 0.000 6.606 ( 0.000 0.000 0.000) 0.000 6.615 ( -0.000 0.000 0.000) 0.000 6.779 ( 0.000 0.000 0.000) 0.000 6.916 ( -0.000 0.000 0.000) 0.000 7.054 ( -0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.423 ( -0.000 0.000 0.000) 0.000 7.551 ( 0.000 0.000 0.000) 0.000 7.680 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 0.000 0.000) 0.000 7.914 ( -0.000 0.000 0.000) 0.000 8.037 ( 0.000 0.000 0.000) 0.000 8.354 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.399 ( -0.000 0.000 0.000) 0.000 8.596 ( -0.000 0.000 0.000) 0.000 8.602 ( 0.000 0.000 -0.000) 0.000 8.780 ( -0.000 0.000 0.000) 0.000 8.947 ( 0.000 0.000 0.000) 0.000 9.252 ( -0.000 0.000 0.000) 0.000 9.490 ( 0.000 0.000 0.000) 0.000 9.861 ( 0.000 0.000 0.000) 0.000 10.025 ( -0.000 0.000 0.000) 0.000 10.071 ( 0.000 0.000 0.000) 0.000 10.547 ( -0.000 0.000 0.000) 0.000 11.002 ( -0.000 0.000 0.000) 0.000 11.381 ( -0.000 0.000 0.000) 0.000 11.569 ( -0.000 0.000 0.000) 0.000 11.571 ( 0.000 0.000 0.000) 0.000 11.600 ( 0.000 0.000 0.000) 0.000 11.720 ( 0.000 0.000 0.000) 0.000 11.868 ( 0.000 0.000 0.000) 0.000 12.144 ( 0.000 0.000 0.000) 0.000 12.433 ( -0.000 0.000 0.000) 0.000 13.332 ( -0.000 0.000 0.000) 0.000 13.691 ( 0.000 0.000 0.000) 0.000 13.741 ( -0.000 0.000 0.000) 0.000 14.880 ( -0.000 0.000 0.000) 0.000 15.485 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 149 (74/88) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -12.163 0.000 10.702) 16.201 1.175 ( 6.352 0.000 2.850) 6.962 1.184 ( 4.447 0.000 2.846) 5.280 1.354 ( -2.970 0.000 -1.406) 3.286 1.415 ( 1.051 0.000 -4.351) 4.476 1.668 ( 0.465 0.000 0.070) 0.471 1.877 ( 9.043 0.000 -1.415) 9.153 2.045 ( 1.936 0.000 -9.165) 9.368 2.102 ( -6.257 0.000 -2.589) 6.771 2.280 ( -7.111 0.000 0.356) 7.120 2.430 ( 3.482 0.000 3.805) 5.158 2.445 ( 5.064 0.000 6.416) 8.174 2.476 ( -1.100 0.000 -6.143) 6.240 2.623 ( 5.786 0.000 -3.119) 6.573 2.823 ( 11.836 0.000 1.333) 11.911 2.983 ( -5.669 0.000 -0.127) 5.670 3.167 ( -5.028 0.000 1.228) 5.176 3.235 ( -2.116 0.000 -8.314) 8.579 3.396 ( 8.467 0.000 13.678) 16.087 3.671 ( 0.624 0.000 1.130) 1.291 3.727 ( -8.816 0.000 0.849) 8.856 3.875 ( 1.482 0.000 -1.626) 2.200 3.883 ( -2.456 0.000 5.609) 6.123 4.064 ( 3.739 0.000 -5.390) 6.560 4.106 ( 3.444 0.000 2.994) 4.564 4.213 ( 5.198 0.000 -1.794) 5.498 4.482 ( 0.243 0.000 0.977) 1.006 4.514 ( 0.581 0.000 -0.197) 0.613 4.600 ( -5.421 0.000 2.608) 6.016 4.721 ( 5.647 0.000 1.213) 5.776 4.723 ( 1.357 0.000 -0.139) 1.365 4.883 ( 2.774 0.000 1.383) 3.100 4.988 ( -1.024 0.000 -1.872) 2.133 5.041 ( -3.357 0.000 1.382) 3.630 5.180 ( 2.945 0.000 -2.449) 3.830 5.249 ( 2.487 0.000 -3.161) 4.022 5.450 ( -2.363 0.000 2.570) 3.491 5.521 ( -2.767 0.000 -4.523) 5.302 5.561 ( 0.057 0.000 0.539) 0.542 5.775 ( 2.170 0.000 -0.016) 2.170 5.846 ( -3.683 0.000 1.325) 3.914 5.975 ( 1.228 0.000 -0.830) 1.482 6.153 ( -1.865 0.000 3.882) 4.307 6.271 ( -0.937 0.000 -3.473) 3.597 6.536 ( -4.189 0.000 -7.237) 8.362 6.607 ( -0.336 0.000 3.382) 3.399 6.616 ( -0.415 0.000 4.774) 4.792 6.809 ( 2.182 0.000 -5.055) 5.506 6.900 ( -1.017 0.000 2.800) 2.979 6.986 ( -4.968 0.000 -1.056) 5.079 7.234 ( 1.355 0.000 -1.356) 1.917 7.386 ( -3.694 0.000 0.944) 3.813 7.582 ( -3.626 0.000 0.278) 3.636 7.699 ( 1.744 0.000 -1.487) 2.292 7.736 ( 2.166 0.000 0.114) 2.169 7.918 ( -0.772 0.000 -1.709) 1.875 8.084 ( 2.798 0.000 -0.594) 2.861 8.299 ( -0.957 0.000 2.728) 2.891 8.385 ( 0.446 0.000 -0.920) 1.023 8.402 ( -1.108 0.000 -2.468) 2.705 8.619 ( 2.085 0.000 1.632) 2.647 8.672 ( 4.810 0.000 -0.292) 4.819 8.780 ( -0.042 0.000 -1.146) 1.147 8.926 ( -2.077 0.000 2.523) 3.268 9.257 ( 0.463 0.000 -1.062) 1.159 9.546 ( 5.366 0.000 1.363) 5.537 9.860 ( -0.074 0.000 -0.752) 0.756 10.034 ( 1.009 0.000 0.988) 1.413 10.075 ( 0.369 0.000 0.472) 0.599 10.571 ( 2.389 0.000 2.664) 3.579 10.976 ( -2.285 0.000 -0.448) 2.328 11.338 ( -4.119 0.000 2.183) 4.661 11.563 ( -1.771 0.000 1.542) 2.348 11.570 ( 0.089 0.000 0.399) 0.409 11.598 ( -0.158 0.000 -0.366) 0.398 11.624 ( -7.827 0.000 -0.339) 7.835 11.798 ( -4.825 0.000 -4.008) 6.273 12.203 ( 2.318 0.000 0.574) 2.388 12.481 ( 6.911 0.000 -3.555) 7.772 13.445 ( 9.695 0.000 3.469) 10.297 13.662 ( 1.094 0.000 -1.965) 2.249 13.868 ( 8.901 0.000 2.171) 9.162 14.862 ( -1.982 0.000 -0.348) 2.012 15.314 ( -16.748 0.000 -0.175) 16.749 ======================= Grid point 150 (75/88) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 7.957 0.000 8.776) 11.846 1.106 ( -8.958 0.000 1.151) 9.032 1.280 ( -4.008 0.000 -3.631) 5.408 1.325 ( 7.962 0.000 6.971) 10.583 1.449 ( 3.733 0.000 -11.176) 11.783 1.701 ( 2.581 0.000 3.789) 4.584 1.976 ( -6.940 0.000 -0.100) 6.940 2.052 ( 7.721 0.000 -1.140) 7.805 2.106 ( -9.858 0.000 -4.836) 10.981 2.245 ( 13.364 0.000 1.503) 13.448 2.382 ( 2.780 0.000 -1.874) 3.353 2.480 ( 0.288 0.000 8.921) 8.926 2.677 ( 14.166 0.000 -6.162) 15.448 2.787 ( -3.385 0.000 -5.374) 6.351 2.862 ( 6.921 0.000 0.228) 6.924 3.056 ( 6.926 0.000 -8.895) 11.274 3.108 ( -5.020 0.000 6.217) 7.991 3.113 ( -0.745 0.000 1.413) 1.597 3.527 ( 1.685 0.000 2.257) 2.817 3.531 ( -9.349 0.000 -0.895) 9.392 3.614 ( -7.175 0.000 3.089) 7.812 3.906 ( 1.606 0.000 -0.792) 1.791 3.906 ( 3.419 0.000 4.627) 5.753 4.027 ( -9.063 0.000 1.106) 9.130 4.191 ( 5.712 0.000 -0.772) 5.764 4.332 ( 5.997 0.000 0.073) 5.998 4.415 ( -2.337 0.000 3.317) 4.057 4.527 ( 0.423 0.000 0.128) 0.442 4.646 ( 8.747 0.000 7.675) 11.636 4.758 ( 2.265 0.000 0.545) 2.329 4.833 ( 2.719 0.000 1.264) 2.999 4.959 ( 5.848 0.000 1.264) 5.983 4.963 ( -1.251 0.000 -5.076) 5.228 4.986 ( -2.560 0.000 3.087) 4.011 5.167 ( -8.822 0.000 -5.031) 10.156 5.219 ( 1.206 0.000 -1.897) 2.248 5.423 ( -4.642 0.000 -4.239) 6.286 5.496 ( 2.476 0.000 -1.932) 3.140 5.564 ( 0.204 0.000 0.559) 0.595 5.790 ( -1.759 0.000 4.119) 4.479 5.835 ( 3.955 0.000 -0.691) 4.015 5.983 ( -0.433 0.000 -1.866) 1.916 6.115 ( -2.283 0.000 4.397) 4.954 6.241 ( -1.861 0.000 -2.973) 3.507 6.443 ( -5.025 0.000 -5.994) 7.822 6.602 ( -1.323 0.000 3.514) 3.755 6.616 ( 1.114 0.000 4.022) 4.173 6.792 ( -3.436 0.000 -5.272) 6.293 6.923 ( -0.373 0.000 -3.220) 3.241 6.937 ( 4.552 0.000 1.974) 4.962 7.242 ( -0.875 0.000 -0.401) 0.962 7.294 ( -5.794 0.000 1.183) 5.913 7.448 ( -6.599 0.000 -1.721) 6.820 7.735 ( 1.857 0.000 -1.622) 2.466 7.762 ( -3.636 0.000 3.593) 5.112 7.989 ( 9.532 0.000 -6.408) 11.486 8.122 ( 2.025 0.000 1.225) 2.367 8.326 ( 1.290 0.000 -2.002) 2.381 8.378 ( -0.752 0.000 3.177) 3.264 8.396 ( 0.670 0.000 -1.331) 1.490 8.658 ( 1.960 0.000 0.362) 1.994 8.725 ( 0.391 0.000 2.821) 2.848 8.777 ( -0.276 0.000 -2.359) 2.375 8.881 ( -2.498 0.000 3.085) 3.970 9.265 ( 0.343 0.000 -1.084) 1.137 9.661 ( 5.845 0.000 1.063) 5.940 9.858 ( -0.034 0.000 -0.890) 0.891 10.064 ( 1.993 0.000 0.831) 2.159 10.083 ( 0.423 0.000 0.542) 0.688 10.633 ( 3.691 0.000 5.008) 6.221 10.934 ( -1.690 0.000 -2.144) 2.730 11.255 ( -4.185 0.000 2.017) 4.646 11.396 ( -10.686 0.000 0.469) 10.696 11.572 ( 0.136 0.000 0.638) 0.653 11.590 ( 0.434 0.000 0.910) 1.009 11.594 ( -0.219 0.000 -0.598) 0.636 11.716 ( -3.568 0.000 -2.887) 4.590 12.193 ( -2.246 0.000 -2.063) 3.049 12.700 ( 15.040 0.000 -3.452) 15.431 13.572 ( 1.845 0.000 1.163) 2.182 13.779 ( 10.197 0.000 2.829) 10.582 14.032 ( 7.744 0.000 1.720) 7.932 14.786 ( -7.779 0.000 -2.191) 8.081 14.945 ( -17.673 0.000 0.584) 17.683 ======================= Grid point 151 (76/88) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 10.333 0.000 7.212) 12.601 0.939 ( -8.199 0.000 -5.355) 9.793 1.225 ( -1.349 0.000 -2.347) 2.707 1.424 ( 2.234 0.000 1.784) 2.859 1.573 ( 7.930 0.000 -5.037) 9.395 1.736 ( -0.427 0.000 4.240) 4.261 1.856 ( -4.494 0.000 1.361) 4.696 1.946 ( -5.421 0.000 -4.523) 7.060 2.087 ( -1.306 0.000 4.082) 4.286 2.475 ( 11.655 0.000 0.536) 11.667 2.498 ( 1.446 0.000 5.218) 5.415 2.577 ( 11.178 0.000 -5.066) 12.272 2.633 ( -6.214 0.000 -2.810) 6.820 2.795 ( -11.873 0.000 1.951) 12.032 2.970 ( 7.888 0.000 -1.437) 8.018 3.056 ( 3.750 0.000 -0.379) 3.769 3.175 ( 10.836 0.000 -1.820) 10.988 3.314 ( 8.730 0.000 0.950) 8.782 3.365 ( -3.042 0.000 -4.361) 5.317 3.422 ( -12.522 0.000 3.190) 12.922 3.487 ( -5.715 0.000 -3.944) 6.944 3.758 ( -12.849 0.000 3.623) 13.350 3.923 ( 0.400 0.000 -0.094) 0.411 4.007 ( 3.437 0.000 2.955) 4.532 4.293 ( 3.720 0.000 -1.991) 4.220 4.419 ( 3.093 0.000 1.095) 3.281 4.471 ( 5.266 0.000 6.409) 8.295 4.515 ( -1.533 0.000 0.409) 1.587 4.783 ( -0.645 0.000 1.194) 1.357 4.802 ( 1.792 0.000 0.578) 1.883 4.842 ( 1.129 0.000 0.208) 1.148 4.941 ( -0.919 0.000 -5.843) 5.915 4.949 ( -1.076 0.000 4.408) 4.537 4.979 ( 0.608 0.000 1.161) 1.310 5.128 ( 3.631 0.000 0.606) 3.682 5.229 ( 0.109 0.000 -0.580) 0.590 5.269 ( -8.979 0.000 -8.281) 12.214 5.558 ( 2.553 0.000 1.325) 2.876 5.568 ( 0.172 0.000 0.187) 0.254 5.777 ( -0.304 0.000 2.497) 2.516 5.909 ( 3.068 0.000 -0.983) 3.221 5.964 ( -0.958 0.000 -1.462) 1.748 6.073 ( -1.907 0.000 2.377) 3.047 6.211 ( -0.902 0.000 -1.043) 1.379 6.362 ( -2.571 0.000 -2.207) 3.389 6.569 ( -1.545 0.000 1.322) 2.033 6.652 ( 2.423 0.000 4.072) 4.738 6.716 ( -3.825 0.000 -4.179) 5.666 6.978 ( 4.668 0.000 -3.189) 5.653 7.041 ( 5.816 0.000 -0.102) 5.817 7.177 ( -6.168 0.000 0.915) 6.235 7.192 ( -3.742 0.000 1.171) 3.921 7.368 ( -1.904 0.000 -0.539) 1.979 7.690 ( -2.487 0.000 0.648) 2.570 7.761 ( 0.772 0.000 -0.673) 1.024 8.155 ( 4.961 0.000 -3.531) 6.090 8.174 ( 3.793 0.000 0.706) 3.858 8.311 ( -1.278 0.000 -2.226) 2.567 8.370 ( -1.344 0.000 4.054) 4.271 8.406 ( 0.353 0.000 -0.679) 0.765 8.694 ( 1.305 0.000 -0.096) 1.308 8.719 ( 0.039 0.000 2.557) 2.558 8.757 ( -1.638 0.000 -1.900) 2.508 8.845 ( -1.115 0.000 1.398) 1.788 9.269 ( 0.092 0.000 -0.423) 0.433 9.744 ( 2.350 0.000 0.403) 2.385 9.858 ( 0.002 0.000 -0.381) 0.381 10.089 ( 0.177 0.000 0.227) 0.288 10.099 ( 1.245 0.000 0.052) 1.246 10.695 ( 1.945 0.000 3.758) 4.232 10.918 ( 0.120 0.000 -2.669) 2.671 11.168 ( -4.447 0.000 -0.074) 4.447 11.268 ( -2.269 0.000 1.586) 2.769 11.575 ( 0.081 0.000 0.394) 0.402 11.591 ( -0.117 0.000 -0.376) 0.394 11.596 ( 0.125 0.000 0.472) 0.488 11.667 ( -1.308 0.000 -1.242) 1.804 12.151 ( -1.405 0.000 -1.281) 1.902 12.981 ( 11.561 0.000 -1.959) 11.725 13.545 ( -3.464 0.000 0.436) 3.491 13.938 ( 4.621 0.000 3.222) 5.633 14.148 ( 3.780 0.000 0.496) 3.812 14.550 ( -9.646 0.000 -2.440) 9.950 14.782 ( -3.233 0.000 0.630) 3.294 ======================= Grid point 155 (77/88) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -0.000 -7.504 0.000) 7.504 0.970 ( 0.000 0.996 -0.000) 0.996 1.299 ( 0.000 -3.554 0.000) 3.554 1.401 ( 0.000 23.369 0.000) 23.369 1.564 ( -0.000 8.947 0.000) 8.947 1.751 ( 0.000 -3.283 0.000) 3.283 1.814 ( -0.000 12.773 0.000) 12.773 2.028 ( -0.000 -5.135 0.000) 5.135 2.098 ( 0.000 -5.858 0.000) 5.858 2.287 ( 0.000 8.266 0.000) 8.266 2.397 ( 0.000 4.407 0.000) 4.407 2.478 ( -0.000 -2.818 0.000) 2.818 2.588 ( -0.000 -1.147 0.000) 1.147 2.635 ( 0.000 12.171 0.000) 12.171 2.817 ( -0.000 11.006 0.000) 11.006 3.055 ( -0.000 2.102 0.000) 2.102 3.130 ( -0.000 -4.627 0.000) 4.627 3.271 ( 0.000 0.450 -0.000) 0.450 3.314 ( -0.000 0.208 0.000) 0.208 3.643 ( 0.000 -3.380 0.000) 3.380 3.755 ( -0.000 -2.448 0.000) 2.448 3.825 ( 0.000 -4.940 0.000) 4.940 3.927 ( 0.000 -2.305 -0.000) 2.305 4.015 ( -0.000 4.324 0.000) 4.324 4.146 ( 0.000 6.336 -0.000) 6.336 4.147 ( -0.000 -0.723 0.000) 0.723 4.454 ( 0.000 -1.844 0.000) 1.844 4.498 ( 0.000 -0.848 0.000) 0.848 4.621 ( -0.000 -3.579 0.000) 3.579 4.696 ( -0.000 -0.826 0.000) 0.826 4.719 ( 0.000 -0.033 0.000) 0.033 4.848 ( 0.000 1.060 0.000) 1.060 5.043 ( 0.000 1.575 0.000) 1.575 5.078 ( -0.000 -4.294 -0.000) 4.294 5.136 ( 0.000 7.649 0.000) 7.649 5.232 ( -0.000 2.880 0.000) 2.880 5.463 ( -0.000 -3.434 -0.000) 3.434 5.476 ( 0.000 -5.385 0.000) 5.385 5.605 ( -0.000 1.534 0.000) 1.534 5.632 ( 0.000 -10.832 0.000) 10.832 5.884 ( 0.000 -2.241 0.000) 2.241 5.921 ( -0.000 -3.278 0.000) 3.278 6.144 ( -0.000 -9.001 0.000) 9.001 6.211 ( 0.000 3.405 0.000) 3.405 6.487 ( 0.000 -9.242 0.000) 9.242 6.639 ( -0.000 1.999 0.000) 1.999 6.685 ( -0.000 1.863 0.000) 1.863 6.796 ( -0.000 3.741 0.000) 3.741 6.913 ( -0.000 0.102 0.000) 0.102 7.065 ( -0.000 1.049 0.000) 1.049 7.222 ( 0.000 1.130 0.000) 1.130 7.385 ( 0.000 -3.694 0.000) 3.694 7.565 ( 0.000 1.877 0.000) 1.877 7.712 ( -0.000 4.546 0.000) 4.546 7.854 ( -0.000 -4.008 0.000) 4.008 7.911 ( 0.000 8.517 0.000) 8.517 8.039 ( 0.000 0.539 0.000) 0.539 8.285 ( -0.000 -2.864 0.000) 2.864 8.342 ( 0.000 -1.103 0.000) 1.103 8.461 ( 0.000 -0.559 0.000) 0.559 8.507 ( -0.000 -7.718 0.000) 7.718 8.592 ( 0.000 -0.809 0.000) 0.809 8.772 ( -0.000 -0.232 0.000) 0.232 9.198 ( -0.000 21.170 0.000) 21.170 9.242 ( 0.000 -11.814 -0.000) 11.814 9.427 ( -0.000 6.554 0.000) 6.554 9.858 ( 0.000 -0.156 0.000) 0.156 9.941 ( -0.000 -2.921 0.000) 2.921 10.245 ( -0.000 10.050 0.000) 10.050 10.558 ( -0.000 0.965 0.000) 0.965 11.020 ( -0.000 2.248 0.000) 2.248 11.346 ( 0.000 -2.991 0.000) 2.991 11.559 ( 0.000 1.325 0.000) 1.325 11.631 ( 0.000 2.286 0.000) 2.286 11.645 ( 0.000 4.418 0.000) 4.418 11.730 ( -0.000 1.025 0.000) 1.025 11.875 ( 0.000 0.750 0.000) 0.750 12.129 ( -0.000 -2.278 0.000) 2.278 12.473 ( 0.000 4.930 0.000) 4.930 13.306 ( 0.000 -2.850 0.000) 2.850 13.699 ( 0.000 0.784 0.000) 0.784 13.736 ( 0.000 -0.404 0.000) 0.404 14.856 ( -0.000 -2.299 0.000) 2.299 15.349 ( 0.000 -13.130 0.000) 13.130 ======================= Grid point 157 (78/88) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -12.435 -4.387 12.496) 18.166 1.126 ( 1.647 -6.705 3.011) 7.532 1.285 ( -1.526 -1.496 0.242) 2.150 1.444 ( 4.380 21.198 -4.704) 22.151 1.516 ( -0.317 5.436 0.492) 5.467 1.791 ( -0.269 10.566 -0.031) 10.569 1.871 ( 9.320 2.152 -0.656) 9.588 1.993 ( -0.848 -1.513 -5.072) 5.360 2.150 ( 3.283 -0.469 -2.707) 4.281 2.340 ( -4.894 5.251 -3.614) 8.037 2.353 ( 5.188 4.709 1.681) 7.205 2.460 ( 2.605 -1.000 -7.004) 7.540 2.617 ( -0.445 7.654 5.404) 9.380 2.758 ( 0.187 11.793 0.285) 11.798 2.806 ( 12.398 -0.668 2.596) 12.685 2.987 ( -5.741 -0.544 -0.390) 5.780 3.170 ( -1.609 -0.203 2.812) 3.246 3.218 ( -1.422 -1.110 -7.546) 7.758 3.327 ( 0.905 -3.103 5.630) 6.492 3.669 ( -1.517 -0.258 8.602) 8.738 3.739 ( -2.470 -0.861 -2.943) 3.937 3.834 ( 3.075 -6.355 0.086) 7.060 3.900 ( 0.501 1.794 4.773) 5.124 4.070 ( 3.107 0.488 -1.303) 3.404 4.105 ( -1.723 0.761 2.877) 3.439 4.218 ( 4.175 2.376 -7.306) 8.744 4.458 ( -0.891 -2.534 1.191) 2.938 4.496 ( 1.157 -1.170 1.907) 2.518 4.616 ( -5.040 0.572 2.593) 5.697 4.672 ( 3.170 -5.548 1.763) 6.628 4.745 ( 2.776 0.232 -0.980) 2.953 4.858 ( 0.978 -0.179 -0.732) 1.234 5.011 ( -2.058 -0.792 -4.047) 4.609 5.085 ( -2.844 5.160 -0.076) 5.892 5.130 ( 3.525 -1.131 2.103) 4.257 5.298 ( 2.592 3.759 -1.647) 4.854 5.417 ( -2.948 -4.861 -0.507) 5.707 5.490 ( 0.688 -1.872 0.239) 2.008 5.602 ( 0.346 2.714 -2.308) 3.579 5.665 ( 3.333 -9.723 1.063) 10.333 5.841 ( -2.930 -1.494 0.653) 3.353 5.946 ( 1.079 -3.832 -0.136) 3.983 6.129 ( -0.973 -5.471 -1.066) 5.658 6.208 ( -0.874 1.092 -0.356) 1.443 6.471 ( -1.470 -9.494 3.704) 10.297 6.598 ( -3.755 2.696 -3.074) 5.551 6.690 ( 0.107 2.091 2.100) 2.965 6.795 ( -0.056 1.052 -4.604) 4.723 6.905 ( -1.629 0.843 -0.265) 1.853 6.999 ( -3.496 0.690 -0.002) 3.563 7.228 ( -1.168 0.249 -1.597) 1.994 7.384 ( 0.683 -2.360 0.715) 2.559 7.539 ( -5.354 0.094 1.158) 5.478 7.759 ( 6.552 3.021 0.460) 7.229 7.789 ( -7.635 1.593 2.072) 8.070 7.890 ( 2.288 2.247 -4.978) 5.922 8.104 ( 2.358 1.917 -0.625) 3.102 8.273 ( 0.389 -1.565 -0.061) 1.614 8.330 ( 0.982 -1.541 2.860) 3.394 8.456 ( -0.858 0.032 -3.098) 3.215 8.567 ( 3.138 -7.293 1.883) 8.160 8.607 ( 1.253 -1.556 0.708) 2.120 8.772 ( 0.275 0.227 -0.732) 0.814 9.193 ( -0.559 20.889 0.496) 20.902 9.273 ( 2.557 -8.147 1.978) 8.765 9.453 ( 2.727 2.820 -0.162) 3.926 9.869 ( 1.270 0.668 -0.621) 1.564 9.957 ( 1.692 -2.401 -2.317) 3.741 10.242 ( -0.341 9.857 1.789) 10.023 10.580 ( 2.192 0.799 2.778) 3.628 10.989 ( -2.825 1.758 -0.438) 3.356 11.310 ( -3.764 -2.337 1.493) 4.675 11.529 ( -2.861 -1.118 0.360) 3.093 11.588 ( -6.633 -0.194 -1.247) 6.752 11.647 ( 0.163 3.905 0.041) 3.909 11.682 ( -1.464 4.297 1.699) 4.848 11.813 ( -3.680 1.907 -3.294) 5.294 12.225 ( 5.421 1.116 1.770) 5.811 12.487 ( 3.523 1.917 -4.279) 5.864 13.413 ( 8.778 -3.630 3.802) 10.232 13.671 ( 1.505 1.004 -1.830) 2.573 13.861 ( 8.516 -0.759 2.099) 8.804 14.839 ( -1.961 -2.283 -0.433) 3.041 15.201 ( -14.451 -10.866 -0.449) 18.086 ======================= Grid point 158 (79/88) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 7.750 -5.321 11.127) 14.566 1.009 ( -9.479 -9.369 2.161) 13.502 1.228 ( -3.294 -1.965 -4.940) 6.254 1.554 ( 4.283 18.538 4.020) 19.447 1.590 ( 7.620 11.898 -7.999) 16.236 1.821 ( 2.497 9.248 4.693) 10.667 1.923 ( -0.280 -1.366 -4.476) 4.688 2.066 ( -1.501 0.474 0.971) 1.850 2.215 ( 2.797 1.638 2.835) 4.306 2.278 ( 1.056 12.809 -5.307) 13.905 2.381 ( 5.414 1.332 -2.549) 6.131 2.585 ( 1.986 6.387 5.591) 8.718 2.667 ( 9.857 0.425 -4.423) 10.812 2.793 ( 0.109 0.942 -5.539) 5.620 2.877 ( -0.536 0.464 2.586) 2.681 3.087 ( 7.724 3.295 -3.695) 9.174 3.103 ( 2.177 0.389 6.248) 6.627 3.161 ( -2.820 4.418 -2.711) 5.901 3.353 ( 0.058 -9.819 -0.450) 9.829 3.542 ( -9.429 1.407 -0.972) 9.583 3.706 ( -3.018 1.851 7.287) 8.101 3.865 ( 0.716 -2.621 -0.257) 2.729 3.958 ( -0.044 0.700 1.205) 1.394 4.044 ( -4.755 2.005 0.036) 5.161 4.137 ( 4.134 -2.291 1.286) 4.899 4.272 ( 3.367 -5.237 0.047) 6.226 4.404 ( -2.892 -2.958 2.690) 4.935 4.495 ( 0.104 -1.760 -0.587) 1.858 4.645 ( 6.458 -1.680 6.902) 9.600 4.741 ( 3.111 -3.576 2.101) 5.185 4.807 ( 2.036 -3.435 -0.438) 4.018 4.868 ( -0.080 -1.419 -1.893) 2.367 4.978 ( -0.394 -2.307 -2.183) 3.201 5.041 ( -1.984 4.128 0.334) 4.592 5.197 ( 2.030 3.040 -0.729) 3.728 5.227 ( -5.774 3.851 -3.015) 7.567 5.415 ( 0.771 -8.289 -1.199) 8.410 5.499 ( -0.402 4.985 -2.973) 5.819 5.618 ( 1.178 4.822 -1.130) 5.091 5.747 ( 4.272 -5.756 1.283) 7.282 5.805 ( 0.111 -1.329 2.791) 3.094 5.955 ( 0.201 -3.614 -0.607) 3.671 6.115 ( -0.835 -0.495 1.026) 1.412 6.177 ( -1.585 -2.335 -1.994) 3.455 6.432 ( -3.207 -7.904 0.677) 8.556 6.506 ( -5.546 -1.840 0.292) 5.850 6.686 ( -0.533 4.199 1.748) 4.579 6.787 ( -1.056 -1.025 -5.600) 5.790 6.858 ( -1.277 -2.190 0.395) 2.566 6.996 ( 2.717 1.672 -2.303) 3.935 7.177 ( -3.273 -1.602 -1.480) 3.933 7.401 ( 0.326 0.262 -0.715) 0.829 7.411 ( -6.508 1.967 1.697) 7.007 7.646 ( -6.726 -3.603 2.420) 8.005 7.875 ( 1.269 5.747 0.690) 5.926 7.964 ( 8.411 -0.751 -5.651) 10.161 8.142 ( 2.987 2.211 0.488) 3.748 8.294 ( 0.642 -1.074 -2.567) 2.856 8.376 ( 2.527 0.684 4.905) 5.560 8.442 ( -0.243 0.672 -2.905) 2.992 8.558 ( -2.956 -8.359 3.421) 9.503 8.650 ( 2.614 -1.427 1.607) 3.384 8.778 ( -0.105 0.173 -1.768) 1.779 9.175 ( -1.259 20.410 0.342) 20.451 9.314 ( 1.447 -0.934 1.644) 2.381 9.520 ( 3.644 -4.387 0.043) 5.703 9.908 ( 2.808 2.735 -0.719) 3.986 9.998 ( 2.413 -1.483 -3.390) 4.417 10.231 ( -0.861 8.970 2.603) 9.379 10.635 ( 3.077 0.102 5.158) 6.007 10.937 ( -2.024 0.731 -2.013) 2.946 11.228 ( -4.296 -2.159 1.644) 5.081 11.365 ( -11.319 -2.207 -1.238) 11.599 11.528 ( -0.474 -2.740 -0.085) 2.782 11.652 ( 0.333 3.361 0.623) 3.435 11.680 ( 0.025 3.993 -0.511) 4.025 11.767 ( -0.867 7.911 0.284) 7.963 12.241 ( -2.637 5.177 -1.647) 6.039 12.663 ( 14.056 -3.593 -3.755) 14.986 13.521 ( 0.994 -5.470 1.832) 5.853 13.787 ( 9.445 0.865 2.567) 9.825 14.020 ( 7.623 -1.333 1.639) 7.911 14.759 ( -8.582 -2.783 -2.495) 9.360 14.893 ( -13.423 -4.786 0.452) 14.258 ======================= Grid point 159 (80/88) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 9.351 -7.239 7.711) 14.117 0.849 ( -7.189 -7.384 -4.082) 11.084 1.186 ( -0.849 -1.645 -3.625) 4.070 1.614 ( 2.380 17.619 1.747) 17.865 1.712 ( 3.165 10.927 -3.838) 12.006 1.853 ( 1.693 1.241 -1.318) 2.479 1.929 ( -5.522 2.854 2.927) 6.871 1.978 ( 3.986 13.205 4.045) 14.374 2.147 ( -6.620 7.230 -3.280) 10.337 2.402 ( 5.871 -0.136 2.946) 6.570 2.535 ( 6.042 -1.003 -3.556) 7.082 2.646 ( 5.294 4.583 0.193) 7.005 2.677 ( -1.979 5.470 -0.552) 5.843 2.793 ( -8.849 0.343 2.635) 9.239 2.926 ( 7.610 -3.107 -1.592) 8.372 3.114 ( 3.221 4.407 0.292) 5.466 3.161 ( 4.169 -0.830 -0.962) 4.359 3.316 ( -3.188 -4.832 -1.264) 5.925 3.365 ( 10.154 4.378 1.056) 11.108 3.373 ( -2.825 0.799 -4.164) 5.095 3.579 ( -9.941 4.118 -0.256) 10.763 3.760 ( -11.291 0.137 3.372) 11.784 3.901 ( 0.385 -2.290 -0.655) 2.413 4.033 ( 1.360 1.943 1.902) 3.040 4.232 ( 3.447 -4.777 -0.588) 5.920 4.342 ( 2.041 -7.186 1.308) 7.584 4.410 ( 2.877 -6.751 3.362) 8.072 4.510 ( 1.277 -0.222 1.055) 1.672 4.720 ( -3.933 -8.351 0.297) 9.236 4.768 ( 4.190 -4.289 2.288) 6.418 4.816 ( -0.270 -2.925 0.148) 2.941 4.853 ( -1.134 -2.173 -1.672) 2.967 4.998 ( 0.032 4.117 4.911) 6.408 5.021 ( 0.852 -0.171 -4.076) 4.168 5.120 ( -1.103 5.904 -2.014) 6.335 5.262 ( 1.355 4.057 -0.456) 4.302 5.406 ( -1.328 -0.230 -6.079) 6.226 5.451 ( -2.715 -1.369 1.352) 3.328 5.660 ( 2.468 6.269 1.281) 6.858 5.774 ( -0.398 -0.134 1.538) 1.595 5.863 ( 3.304 -4.026 0.060) 5.209 5.966 ( 0.980 0.160 -0.446) 1.088 6.082 ( -2.186 1.076 1.760) 3.006 6.177 ( 1.446 -2.674 -0.824) 3.150 6.344 ( -4.574 -2.222 -3.523) 6.186 6.426 ( -2.298 -12.392 3.029) 12.962 6.689 ( 1.299 3.070 2.418) 4.118 6.740 ( -3.130 2.154 -4.010) 5.524 6.872 ( 1.412 -6.954 0.358) 7.105 7.057 ( 1.276 -4.547 -1.125) 4.855 7.152 ( 2.850 4.009 -4.390) 6.593 7.298 ( -5.798 4.023 4.248) 8.237 7.388 ( -1.147 2.960 -0.653) 3.241 7.560 ( -2.085 -7.192 1.100) 7.569 7.872 ( -0.360 6.206 -0.390) 6.229 8.124 ( 6.650 -2.464 -4.352) 8.321 8.204 ( 2.274 3.323 2.239) 4.607 8.288 ( -1.053 -0.698 -1.689) 2.109 8.384 ( -1.403 1.264 3.396) 3.886 8.449 ( 0.673 0.874 -1.379) 1.767 8.506 ( -1.760 -9.271 1.480) 9.552 8.700 ( 2.488 -0.634 2.106) 3.321 8.757 ( -1.845 -0.194 -1.947) 2.690 9.154 ( -0.700 20.095 0.185) 20.108 9.330 ( 0.326 2.356 0.483) 2.427 9.569 ( 1.342 -7.394 0.016) 7.514 9.961 ( 2.115 5.004 -0.154) 5.435 10.031 ( 0.865 -1.183 -1.904) 2.403 10.218 ( -0.436 7.527 1.250) 7.643 10.683 ( 1.280 -1.149 3.644) 4.030 10.924 ( 0.609 0.748 -2.353) 2.543 11.149 ( -4.269 -1.836 0.030) 4.647 11.209 ( -3.380 -3.710 0.478) 5.041 11.525 ( -0.007 -3.672 -0.133) 3.674 11.660 ( 0.425 2.980 1.181) 3.234 11.671 ( -0.626 1.935 -1.646) 2.616 11.774 ( 0.774 15.433 1.226) 15.501 12.183 ( -2.264 3.466 -1.562) 4.425 12.936 ( 11.695 -4.661 -1.989) 12.746 13.468 ( -5.034 -8.021 0.881) 9.511 13.934 ( 4.341 -0.171 2.822) 5.181 14.135 ( 3.846 -1.303 0.430) 4.083 14.546 ( -7.841 -0.209 -2.282) 8.169 14.767 ( -2.868 -1.611 0.460) 3.321 ======================= Grid point 163 (81/88) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 0.000 -4.001 0.000) 4.001 0.954 ( 0.000 -4.664 0.000) 4.664 1.301 ( 0.000 4.406 0.000) 4.406 1.602 ( 0.000 -1.862 0.000) 1.862 1.651 ( -0.000 -5.951 0.000) 5.951 1.809 ( 0.000 13.512 -0.000) 13.512 1.943 ( 0.000 -1.780 0.000) 1.780 2.087 ( -0.000 14.430 0.000) 14.430 2.199 ( -0.000 11.047 -0.000) 11.047 2.442 ( -0.000 7.595 0.000) 7.595 2.456 ( 0.000 2.716 0.000) 2.716 2.543 ( -0.000 4.355 0.000) 4.355 2.608 ( 0.000 10.134 0.000) 10.134 2.858 ( 0.000 8.179 0.000) 8.179 2.927 ( -0.000 1.704 0.000) 1.704 3.067 ( -0.000 -2.651 0.000) 2.651 3.100 ( 0.000 2.171 0.000) 2.171 3.245 ( 0.000 -2.448 0.000) 2.448 3.361 ( -0.000 5.209 0.000) 5.209 3.507 ( 0.000 -9.139 0.000) 9.139 3.649 ( -0.000 -6.957 0.000) 6.957 3.871 ( -0.000 8.984 -0.000) 8.984 3.875 ( 0.000 -3.572 0.000) 3.572 4.097 ( -0.000 4.134 0.000) 4.134 4.151 ( 0.000 -0.107 -0.000) 0.107 4.261 ( -0.000 5.359 0.000) 5.359 4.393 ( 0.000 -6.119 0.000) 6.119 4.498 ( 0.000 1.590 0.000) 1.590 4.508 ( -0.000 -3.955 -0.000) 3.955 4.687 ( 0.000 -3.494 0.000) 3.494 4.692 ( -0.000 0.966 0.000) 0.966 4.883 ( 0.000 0.420 0.000) 0.420 4.946 ( 0.000 -9.994 0.000) 9.994 5.065 ( -0.000 1.595 0.000) 1.595 5.245 ( -0.000 -16.864 -0.000) 16.864 5.266 ( 0.000 -0.879 0.000) 0.879 5.364 ( 0.000 10.930 0.000) 10.930 5.396 ( -0.000 -0.734 0.000) 0.734 5.490 ( 0.000 -1.951 0.000) 1.951 5.603 ( -0.000 -1.753 0.000) 1.753 5.813 ( 0.000 -4.703 0.000) 4.703 5.842 ( 0.000 -4.218 0.000) 4.218 6.040 ( -0.000 -1.808 0.000) 1.808 6.229 ( 0.000 -4.445 0.000) 4.445 6.348 ( 0.000 -1.117 0.000) 1.117 6.662 ( -0.000 -2.406 0.000) 2.406 6.700 ( -0.000 3.588 0.000) 3.588 6.841 ( 0.000 -2.008 0.000) 2.008 6.929 ( -0.000 2.059 0.000) 2.059 7.083 ( -0.000 0.477 0.000) 0.477 7.261 ( 0.000 2.962 0.000) 2.962 7.330 ( 0.000 -0.640 0.000) 0.640 7.619 ( 0.000 3.334 0.000) 3.334 7.807 ( -0.000 -1.750 0.000) 1.750 7.837 ( 0.000 7.791 -0.000) 7.791 8.051 ( -0.000 5.852 -0.000) 5.852 8.068 ( 0.000 2.881 0.000) 2.881 8.238 ( -0.000 -4.269 0.000) 4.269 8.318 ( 0.000 -1.323 0.000) 1.323 8.365 ( -0.000 -4.897 0.000) 4.897 8.409 ( 0.000 -3.877 0.000) 3.877 8.578 ( 0.000 -0.730 0.000) 0.730 8.755 ( -0.000 -1.669 0.000) 1.669 8.929 ( -0.000 -16.620 0.000) 16.620 9.602 ( -0.000 18.765 0.000) 18.765 9.673 ( 0.000 15.015 0.000) 15.015 9.866 ( -0.000 1.520 0.000) 1.520 9.901 ( 0.000 -1.689 -0.000) 1.689 10.402 ( -0.000 6.262 0.000) 6.262 10.571 ( -0.000 0.022 0.000) 0.022 11.094 ( -0.000 5.363 0.000) 5.363 11.288 ( 0.000 -2.766 0.000) 2.766 11.602 ( 0.000 2.726 0.000) 2.726 11.660 ( -0.000 0.668 0.000) 0.668 11.712 ( 0.000 2.297 0.000) 2.297 11.748 ( -0.000 0.484 0.000) 0.484 11.892 ( -0.000 0.802 0.000) 0.802 12.047 ( 0.000 -5.788 0.000) 5.788 12.625 ( -0.000 10.392 0.000) 10.392 13.216 ( 0.000 -6.761 0.000) 6.761 13.716 ( 0.000 0.904 0.000) 0.904 13.731 ( -0.000 -0.093 -0.000) 0.093 14.804 ( -0.000 -2.831 0.000) 2.831 15.062 ( 0.000 -15.034 0.000) 15.034 ======================= Grid point 165 (82/88) ======================= q-point: ( 0.14 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -10.926 0.217 12.302) 16.454 0.944 ( -4.929 -11.114 3.984) 12.794 1.319 ( -2.736 3.840 1.615) 4.984 1.504 ( 2.271 -3.392 -3.806) 5.581 1.826 ( 4.460 12.932 -3.956) 14.240 1.854 ( 10.324 -2.072 -4.597) 11.490 1.992 ( 3.673 6.558 0.257) 7.521 2.113 ( 0.900 9.852 -2.060) 10.105 2.228 ( 2.246 15.083 -0.625) 15.262 2.376 ( 2.434 -0.556 -5.172) 5.743 2.472 ( -1.701 3.657 -1.057) 4.170 2.568 ( 1.929 10.062 -0.546) 10.260 2.755 ( 6.971 7.630 4.333) 11.206 2.802 ( -0.417 1.857 -1.854) 2.657 2.927 ( -3.789 -3.964 1.918) 5.809 2.987 ( 1.514 8.931 3.323) 9.649 3.150 ( 1.933 -0.867 -1.145) 2.408 3.224 ( -2.918 1.521 -0.894) 3.410 3.353 ( -1.560 4.610 2.495) 5.469 3.598 ( 7.321 -7.748 -0.951) 10.702 3.670 ( 2.189 -8.505 3.126) 9.322 3.763 ( -6.924 3.981 0.142) 7.988 3.907 ( -0.314 -0.355 3.019) 3.056 4.071 ( 0.321 -0.589 7.818) 7.847 4.163 ( -1.833 4.679 -1.979) 5.401 4.285 ( 1.740 2.651 -7.697) 8.325 4.403 ( -4.047 -2.410 -0.332) 4.722 4.433 ( 0.038 -7.490 2.896) 8.031 4.572 ( 2.721 0.771 2.127) 3.539 4.631 ( -3.653 0.180 3.222) 4.874 4.712 ( 2.365 -3.284 -1.419) 4.289 4.853 ( -1.900 -3.273 -1.751) 4.170 4.928 ( -1.655 -6.942 -2.354) 7.515 5.121 ( 4.864 3.027 -1.434) 5.906 5.211 ( -1.443 -11.287 -4.850) 12.369 5.266 ( -3.000 5.828 2.332) 6.957 5.368 ( 2.553 -1.748 0.780) 3.191 5.467 ( 4.493 -3.062 1.713) 5.701 5.519 ( 3.302 2.362 0.974) 4.176 5.623 ( 2.699 -0.754 -0.317) 2.820 5.791 ( -1.447 -3.570 0.111) 3.853 5.854 ( 0.796 -4.345 -2.540) 5.096 6.054 ( 1.292 -1.742 -1.591) 2.690 6.220 ( -1.242 -4.780 1.893) 5.289 6.325 ( -2.542 -0.671 1.582) 3.069 6.633 ( -3.955 -1.144 0.871) 4.208 6.688 ( 0.050 1.672 0.314) 1.702 6.821 ( -1.972 -1.205 -2.590) 3.471 6.933 ( -1.086 1.731 -1.819) 2.735 7.008 ( -4.131 0.505 -1.496) 4.422 7.255 ( -3.065 2.264 -1.278) 4.020 7.319 ( 0.452 -2.042 0.258) 2.107 7.586 ( -4.204 3.219 1.600) 5.532 7.750 ( -5.637 -1.962 2.003) 6.296 7.856 ( 2.395 5.479 1.038) 6.069 7.992 ( -0.045 5.345 -3.469) 6.372 8.141 ( 1.093 1.389 0.090) 1.770 8.253 ( 3.893 -0.713 -3.733) 5.441 8.317 ( 1.851 0.306 4.510) 4.885 8.386 ( 0.241 -6.120 -0.472) 6.143 8.471 ( 3.573 -2.296 -0.279) 4.257 8.580 ( 0.518 -1.256 0.737) 1.546 8.761 ( 0.544 -1.535 -0.387) 1.674 8.984 ( 5.181 -16.184 2.966) 17.250 9.579 ( -2.158 17.054 1.360) 17.243 9.669 ( -0.320 13.261 1.949) 13.408 9.896 ( 3.118 2.570 -2.258) 4.629 9.940 ( 3.611 1.107 -5.650) 6.796 10.401 ( -0.201 6.593 1.703) 6.813 10.589 ( 1.721 -0.217 2.988) 3.455 11.055 ( -3.741 5.211 -0.525) 6.436 11.266 ( -2.688 -2.012 0.942) 3.487 11.512 ( -7.055 -1.074 -0.773) 7.178 11.571 ( -9.182 -1.828 -2.115) 9.598 11.705 ( -0.402 2.050 0.072) 2.090 11.734 ( -0.647 1.238 -0.215) 1.414 11.878 ( 1.636 4.491 -0.892) 4.862 12.190 ( 10.511 -4.712 2.346) 11.755 12.608 ( -1.365 10.638 -2.611) 11.039 13.299 ( 6.288 -8.431 4.274) 11.353 13.701 ( 2.517 2.159 -1.277) 3.554 13.839 ( 7.275 -1.608 1.738) 7.650 14.785 ( -2.074 -2.968 -0.703) 3.689 14.967 ( -9.066 -11.971 -0.897) 15.043 ======================= Grid point 166 (83/88) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 5.216 -0.558 12.731) 13.770 0.808 ( -7.392 -10.700 2.933) 13.332 1.230 ( -3.789 1.970 -5.767) 7.176 1.622 ( 6.260 -7.316 2.176) 9.872 1.905 ( 3.288 13.938 -3.885) 14.838 1.964 ( -0.771 7.780 -3.777) 8.682 2.056 ( 6.692 6.044 -3.001) 9.503 2.146 ( 0.803 13.801 0.684) 13.841 2.315 ( -1.313 7.218 4.286) 8.497 2.387 ( 7.378 2.402 -1.941) 7.998 2.525 ( 5.031 3.405 -5.370) 8.108 2.608 ( 3.020 4.068 -1.085) 5.182 2.767 ( -0.229 4.507 -0.292) 4.522 2.842 ( -1.118 0.834 -0.042) 1.396 2.911 ( 2.938 9.487 1.781) 10.090 3.121 ( 7.097 1.527 4.673) 8.634 3.155 ( -0.532 3.126 0.692) 3.246 3.202 ( 4.015 -2.291 -2.260) 5.145 3.311 ( -1.618 7.152 -0.800) 7.376 3.592 ( -9.396 3.209 -0.400) 9.937 3.676 ( 0.371 -3.041 4.766) 5.665 3.768 ( 5.074 -8.318 -0.757) 9.773 3.880 ( -2.955 -5.127 -0.422) 5.933 4.091 ( -3.104 1.742 3.508) 4.998 4.141 ( 2.119 -3.797 1.962) 4.771 4.220 ( -4.342 3.824 -1.791) 6.057 4.295 ( -5.931 -6.392 1.979) 8.941 4.469 ( 1.727 -3.958 0.143) 4.321 4.527 ( -0.939 -5.141 3.740) 6.427 4.688 ( 1.630 -2.588 1.447) 3.384 4.757 ( 1.604 -3.250 -0.989) 3.757 4.838 ( 0.941 -3.011 -1.252) 3.395 4.909 ( 1.451 -2.804 -1.121) 3.351 5.154 ( -1.923 5.856 -1.173) 6.275 5.201 ( -0.658 -11.269 -2.188) 11.499 5.270 ( 4.311 4.087 0.492) 5.961 5.336 ( -3.764 5.831 -2.133) 7.261 5.567 ( 1.617 -0.523 -1.799) 2.475 5.616 ( 7.595 -5.336 -0.020) 9.282 5.696 ( 4.403 3.883 0.473) 5.890 5.782 ( 1.360 -1.681 4.576) 5.061 5.879 ( 2.555 -3.385 -3.436) 5.458 6.078 ( 1.218 -2.091 -2.541) 3.509 6.179 ( -2.966 -3.885 1.947) 5.261 6.258 ( -4.371 -2.218 4.175) 6.439 6.503 ( -9.379 -0.572 -2.171) 9.644 6.708 ( 1.387 -1.395 2.320) 3.041 6.771 ( -2.794 -0.197 -2.542) 3.782 6.873 ( -2.822 2.261 -1.764) 4.023 6.980 ( -1.076 -1.822 -3.526) 4.112 7.198 ( -1.420 2.057 -1.985) 3.192 7.305 ( -1.890 -4.563 -1.556) 5.179 7.511 ( -2.424 4.051 2.491) 5.338 7.611 ( -7.877 -0.524 2.760) 8.363 7.948 ( 4.782 3.023 1.627) 5.886 8.001 ( 2.143 3.180 -3.365) 5.102 8.190 ( 3.971 1.970 -0.901) 4.523 8.294 ( 0.661 0.447 -1.748) 1.921 8.380 ( -0.388 -3.634 1.077) 3.810 8.391 ( 3.168 -1.918 1.431) 3.970 8.479 ( -1.938 0.381 1.306) 2.368 8.618 ( 3.247 -1.749 1.482) 3.975 8.767 ( -0.207 -1.293 -0.869) 1.571 9.092 ( 5.185 -14.921 2.700) 16.026 9.535 ( -2.286 15.542 0.743) 15.727 9.670 ( 0.392 11.096 1.344) 11.184 9.973 ( 4.701 5.002 -2.924) 7.462 10.010 ( 3.545 3.154 -6.133) 7.754 10.390 ( -1.139 7.392 2.906) 8.024 10.629 ( 1.916 -1.029 5.254) 5.686 10.978 ( -3.395 3.867 -1.849) 5.468 11.193 ( -4.301 -1.195 1.197) 4.622 11.319 ( -11.873 -2.788 -2.115) 12.378 11.459 ( -2.361 -5.104 -1.097) 5.730 11.699 ( -0.356 1.630 0.197) 1.680 11.722 ( -0.473 1.520 -1.227) 2.010 11.953 ( 5.812 9.589 2.208) 11.428 12.353 ( 3.227 3.110 1.589) 4.755 12.616 ( 5.427 2.150 -4.743) 7.521 13.359 ( -1.558 -11.594 3.112) 12.105 13.814 ( 8.097 2.054 1.898) 8.567 13.982 ( 7.393 -2.541 1.336) 7.931 14.697 ( -8.167 -2.939 -2.727) 9.098 14.796 ( -6.127 -4.873 0.020) 7.828 ======================= Grid point 167 (84/88) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 4.768 -4.874 6.346) 9.314 0.711 ( -2.559 -6.817 -1.206) 7.381 1.192 ( -0.435 2.418 -4.313) 4.963 1.673 ( -0.373 -10.611 1.761) 10.762 1.928 ( 2.711 10.831 0.071) 11.165 2.039 ( 0.747 17.103 -5.592) 18.009 2.055 ( -2.037 6.556 0.999) 6.937 2.153 ( 2.711 5.649 1.643) 6.477 2.338 ( 2.786 10.849 1.951) 11.369 2.502 ( -2.575 2.778 0.388) 3.808 2.526 ( 0.147 5.628 -3.772) 6.776 2.695 ( 4.916 1.259 1.281) 5.234 2.791 ( 3.430 4.287 -1.203) 5.620 2.842 ( -0.645 2.078 2.179) 3.080 2.948 ( 1.306 11.318 0.032) 11.393 3.127 ( 0.413 1.371 0.288) 1.461 3.232 ( 1.062 3.872 -0.146) 4.017 3.270 ( 2.292 -0.942 -0.956) 2.656 3.392 ( 4.533 1.583 -3.213) 5.777 3.451 ( 0.716 4.179 2.467) 4.906 3.614 ( -6.627 -0.232 -0.872) 6.688 3.760 ( -7.605 -0.260 2.142) 7.905 3.837 ( 1.888 -4.522 -0.879) 4.978 4.008 ( -2.625 -5.200 -0.663) 5.862 4.139 ( 0.716 -6.912 0.514) 6.968 4.200 ( -3.916 -8.800 1.036) 9.688 4.301 ( 6.548 0.861 2.621) 7.105 4.491 ( 0.847 -2.256 0.927) 2.582 4.521 ( -1.618 -9.398 2.709) 9.913 4.652 ( -2.573 -7.604 -2.062) 8.288 4.783 ( 1.706 -1.352 0.785) 2.314 4.828 ( -1.707 -1.094 -1.832) 2.732 5.007 ( 5.345 -0.217 2.443) 5.880 5.120 ( -1.102 6.149 0.301) 6.254 5.181 ( -1.064 -10.968 -1.212) 11.086 5.254 ( -2.312 6.846 -1.954) 7.485 5.377 ( 4.826 5.059 -0.565) 7.015 5.515 ( -5.247 0.925 -2.622) 5.939 5.726 ( 3.696 -2.758 0.522) 4.641 5.774 ( 1.875 1.005 -1.205) 2.445 5.838 ( 3.007 2.934 2.898) 5.104 5.970 ( 6.562 -0.680 0.611) 6.626 6.086 ( -1.985 -4.373 -1.428) 5.010 6.133 ( -0.507 -0.276 -0.424) 0.716 6.189 ( -1.278 -6.641 4.002) 7.858 6.308 ( -9.463 -2.298 -1.953) 9.932 6.723 ( -0.939 -1.979 -1.362) 2.579 6.752 ( 2.623 0.847 0.685) 2.841 6.818 ( -3.488 2.027 -0.346) 4.049 6.946 ( -1.617 -5.821 -1.198) 6.159 7.213 ( 2.048 1.335 -5.244) 5.786 7.281 ( -0.232 -4.283 1.652) 4.596 7.476 ( -4.383 4.297 2.612) 6.671 7.496 ( -0.894 1.021 0.939) 1.651 7.978 ( 0.297 5.134 0.033) 5.143 8.100 ( 5.101 -0.065 -2.367) 5.624 8.254 ( 2.132 0.755 1.546) 2.740 8.291 ( -1.449 -0.417 -0.965) 1.790 8.358 ( -0.347 -1.848 0.454) 1.934 8.421 ( -0.424 -3.611 0.923) 3.751 8.444 ( -0.834 2.172 0.158) 2.332 8.687 ( 3.582 -0.768 2.008) 4.178 8.744 ( -2.157 -0.668 -1.520) 2.722 9.161 ( 1.797 -13.824 1.031) 13.978 9.502 ( -0.961 15.207 0.116) 15.237 9.679 ( 0.340 10.462 0.303) 10.472 10.049 ( 2.622 5.794 -1.079) 6.450 10.059 ( 1.579 4.072 -3.132) 5.374 10.367 ( -1.005 7.741 1.651) 7.979 10.653 ( 0.381 -2.059 3.445) 4.031 10.952 ( 0.647 2.238 -1.942) 3.033 11.111 ( -5.084 -1.683 -0.014) 5.355 11.152 ( -3.289 -2.422 -0.078) 4.085 11.436 ( -0.453 -6.262 -0.407) 6.292 11.693 ( -0.229 1.468 0.014) 1.486 11.717 ( -0.054 1.847 -0.454) 1.903 12.083 ( 6.730 15.175 2.455) 16.781 12.295 ( -5.914 8.708 -1.477) 10.629 12.814 ( 11.068 -7.521 -2.198) 13.561 13.252 ( -7.682 -14.153 1.660) 16.189 13.941 ( 3.888 1.146 1.877) 4.467 14.099 ( 3.904 -2.538 0.370) 4.671 14.554 ( -4.524 1.313 -1.762) 5.030 14.723 ( -2.162 -2.904 0.075) 3.622 ======================= Grid point 171 (85/88) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 0.000 4.949 0.000) 4.949 0.805 ( -0.000 -9.408 0.000) 9.408 1.415 ( 0.000 6.051 0.000) 6.051 1.528 ( 0.000 -6.318 -0.000) 6.318 1.633 ( -0.000 5.919 0.000) 5.919 1.780 ( -0.000 -7.809 0.000) 7.809 2.079 ( 0.000 8.363 0.000) 8.363 2.193 ( -0.000 -2.894 0.000) 2.894 2.427 ( -0.000 12.057 -0.000) 12.057 2.542 ( 0.000 -0.303 0.000) 0.303 2.589 ( -0.000 6.647 -0.000) 6.647 2.594 ( 0.000 4.781 0.000) 4.781 2.832 ( -0.000 -1.706 0.000) 1.706 2.852 ( 0.000 8.369 0.000) 8.369 2.959 ( -0.000 -6.392 0.000) 6.392 3.045 ( 0.000 -2.856 0.000) 2.856 3.098 ( -0.000 5.145 0.000) 5.145 3.224 ( 0.000 -3.463 0.000) 3.463 3.411 ( 0.000 3.549 -0.000) 3.549 3.506 ( 0.000 6.490 0.000) 6.490 3.557 ( -0.000 -0.474 0.000) 0.474 3.753 ( -0.000 -10.226 -0.000) 10.226 4.038 ( -0.000 5.899 0.000) 5.899 4.110 ( 0.000 -3.345 0.000) 3.345 4.177 ( -0.000 4.457 0.000) 4.457 4.265 ( 0.000 -5.302 0.000) 5.302 4.381 ( 0.000 9.083 0.000) 9.083 4.526 ( 0.000 2.850 0.000) 2.850 4.578 ( -0.000 7.299 -0.000) 7.299 4.586 ( 0.000 -5.717 0.000) 5.717 4.694 ( 0.000 -7.712 0.000) 7.712 4.783 ( 0.000 -11.803 -0.000) 11.803 4.786 ( -0.000 1.813 0.000) 1.813 4.923 ( -0.000 -11.739 0.000) 11.739 5.125 ( -0.000 3.931 0.000) 3.931 5.205 ( 0.000 -4.187 0.000) 4.187 5.439 ( 0.000 2.613 -0.000) 2.613 5.445 ( -0.000 0.876 0.000) 0.876 5.569 ( -0.000 -0.473 0.000) 0.473 5.574 ( -0.000 3.300 0.000) 3.300 5.739 ( -0.000 -1.061 0.000) 1.061 5.776 ( 0.000 -2.957 0.000) 2.957 6.050 ( -0.000 2.325 0.000) 2.325 6.119 ( 0.000 -4.978 0.000) 4.978 6.424 ( 0.000 7.654 0.000) 7.654 6.587 ( -0.000 -7.047 -0.000) 7.047 6.733 ( -0.000 0.161 0.000) 0.161 6.754 ( 0.000 -3.629 0.000) 3.629 7.004 ( 0.000 4.968 0.000) 4.968 7.073 ( 0.000 -1.870 0.000) 1.870 7.320 ( 0.000 2.673 0.000) 2.673 7.343 ( -0.000 0.438 -0.000) 0.438 7.682 ( 0.000 3.373 0.000) 3.373 7.752 ( -0.000 -3.903 0.000) 3.903 7.985 ( 0.000 7.422 0.000) 7.422 8.116 ( 0.000 -6.386 0.000) 6.386 8.138 ( -0.000 3.577 -0.000) 3.577 8.148 ( 0.000 3.350 0.000) 3.350 8.290 ( -0.000 -1.618 0.000) 1.618 8.295 ( 0.000 -3.329 -0.000) 3.329 8.398 ( -0.000 3.727 0.000) 3.727 8.522 ( 0.000 -6.962 0.000) 6.962 8.711 ( 0.000 -3.938 0.000) 3.938 8.716 ( -0.000 -2.104 0.000) 2.104 9.817 ( 0.000 4.122 0.000) 4.122 9.860 ( -0.000 -0.753 0.000) 0.753 9.921 ( 0.000 7.144 0.000) 7.144 9.942 ( 0.000 4.850 -0.000) 4.850 10.489 ( -0.000 3.472 0.000) 3.472 10.547 ( -0.000 -2.514 0.000) 2.514 11.197 ( -0.000 4.463 0.000) 4.463 11.249 ( 0.000 -1.648 0.000) 1.648 11.646 ( 0.000 1.592 0.000) 1.592 11.662 ( -0.000 -0.308 0.000) 0.308 11.737 ( 0.000 0.712 0.000) 0.712 11.747 ( -0.000 -0.379 0.000) 0.379 11.901 ( -0.000 0.620 0.000) 0.620 11.944 ( 0.000 -4.222 0.000) 4.222 12.839 ( 0.000 11.651 0.000) 11.651 13.051 ( 0.000 -10.336 0.000) 10.336 13.729 ( 0.000 0.395 0.000) 0.395 13.731 ( -0.000 0.077 -0.000) 0.077 14.771 ( -0.000 0.166 0.000) 0.166 14.839 ( 0.000 -7.618 0.000) 7.618 ======================= Grid point 173 (86/88) ======================= q-point: ( 0.14 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -7.864 7.452 9.052) 14.118 0.730 ( -6.713 -11.024 5.979) 14.225 1.391 ( -5.755 3.150 2.149) 6.904 1.443 ( -0.856 -2.773 0.085) 2.904 1.831 ( 14.126 1.572 -8.032) 16.325 1.891 ( 10.988 -3.228 -8.305) 14.147 2.135 ( 5.100 8.615 -2.102) 10.229 2.259 ( 5.282 -1.822 -1.896) 5.900 2.383 ( -5.816 6.892 -4.187) 9.942 2.490 ( -3.255 1.225 -0.451) 3.506 2.563 ( -0.815 9.709 3.545) 10.368 2.654 ( 4.900 0.917 4.122) 6.468 2.806 ( -0.897 -0.556 -1.080) 1.510 2.852 ( -2.165 -2.643 -0.234) 3.424 2.945 ( 4.299 8.925 0.151) 9.908 3.103 ( 1.581 -5.218 -2.412) 5.962 3.139 ( 3.433 5.527 4.519) 7.921 3.238 ( 1.101 -2.386 2.434) 3.582 3.440 ( 1.426 5.319 3.369) 6.456 3.526 ( 2.736 0.823 1.156) 3.082 3.581 ( 2.813 1.484 -4.234) 5.296 3.739 ( -1.633 -7.795 1.165) 8.049 3.947 ( -7.785 3.560 1.247) 8.650 4.019 ( -5.186 -4.417 5.372) 8.676 4.253 ( 3.979 3.414 -1.559) 5.470 4.303 ( 0.807 -2.830 1.731) 3.414 4.342 ( -3.349 5.657 2.053) 6.887 4.423 ( -7.933 2.353 -2.900) 8.768 4.554 ( -3.875 -4.860 -0.770) 6.263 4.633 ( -1.542 -3.091 2.078) 4.031 4.686 ( 5.270 -1.251 0.598) 5.450 4.722 ( -1.983 -1.377 1.081) 2.645 4.830 ( 1.894 -2.519 -2.259) 3.878 4.940 ( 1.363 -12.039 -5.114) 13.151 5.195 ( 6.498 4.389 -0.654) 7.868 5.283 ( 6.848 -4.921 1.264) 8.527 5.403 ( -2.021 5.812 2.120) 6.509 5.448 ( -0.384 0.010 -0.758) 0.850 5.575 ( 0.815 0.698 -0.681) 1.271 5.622 ( 3.989 -1.327 1.412) 4.435 5.738 ( 0.332 0.676 -2.978) 3.072 5.790 ( 1.409 -3.006 -4.302) 5.434 6.053 ( 0.162 1.477 1.463) 2.085 6.108 ( -1.201 -4.540 2.959) 5.550 6.407 ( -2.168 7.362 -0.753) 7.712 6.557 ( -3.298 -6.748 -0.262) 7.515 6.725 ( -0.544 1.364 1.968) 2.455 6.764 ( 0.142 -3.134 3.023) 4.356 6.971 ( -2.831 2.594 -3.454) 5.164 7.009 ( -4.845 -0.878 -2.725) 5.627 7.300 ( -3.763 2.117 -2.126) 4.813 7.317 ( -1.572 0.379 -0.841) 1.823 7.640 ( -3.902 2.746 1.514) 5.006 7.699 ( -4.869 -3.291 1.631) 6.099 7.968 ( 0.059 5.689 1.495) 5.882 8.043 ( -2.524 -1.107 1.550) 3.162 8.157 ( 2.098 1.890 -3.889) 4.806 8.222 ( 2.664 -3.614 -2.214) 5.006 8.326 ( 3.578 0.743 -0.439) 3.681 8.336 ( 2.187 0.722 2.841) 3.657 8.458 ( 4.988 1.846 -0.314) 5.328 8.540 ( 1.651 -4.125 1.075) 4.571 8.725 ( 1.072 -1.559 0.423) 1.939 8.751 ( 4.216 -6.469 1.898) 7.951 9.775 ( -2.946 4.609 4.031) 6.795 9.812 ( -2.825 0.905 4.306) 5.229 9.985 ( 5.258 6.307 -5.923) 10.124 10.016 ( 5.426 3.736 -7.224) 9.777 10.496 ( 0.636 3.910 2.131) 4.498 10.561 ( 1.261 -2.749 2.903) 4.192 11.168 ( -2.933 5.745 -0.291) 6.457 11.237 ( -1.459 -1.590 0.483) 2.211 11.490 ( -11.320 -0.595 -2.247) 11.556 11.518 ( -12.480 -3.205 -3.179) 13.271 11.731 ( -0.393 0.902 -0.379) 1.054 11.742 ( -0.391 -0.201 -0.432) 0.616 11.970 ( 6.604 5.286 0.347) 8.466 12.080 ( 9.863 -6.170 1.461) 11.725 12.846 ( -0.114 13.508 1.111) 13.555 13.097 ( 2.957 -12.481 3.681) 13.345 13.749 ( 3.813 2.739 -0.354) 4.708 13.800 ( 5.476 -2.464 0.814) 6.059 14.748 ( -2.497 -0.346 -0.986) 2.707 14.795 ( -4.172 -5.692 -1.001) 7.128 ======================= Grid point 174 (87/88) ======================= q-point: ( 0.29 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 0.681 5.817 9.583) 11.232 0.621 ( -3.843 -8.926 5.212) 11.028 1.302 ( -2.589 5.784 -3.909) 7.445 1.449 ( 0.958 -9.282 -0.740) 9.361 2.039 ( 4.212 3.274 -2.717) 5.987 2.064 ( 5.715 1.944 -5.201) 7.968 2.221 ( 0.932 9.133 -2.954) 9.644 2.322 ( 3.971 4.902 -1.762) 6.550 2.361 ( -2.589 -3.351 -0.983) 4.347 2.401 ( 7.444 -3.658 -2.245) 8.592 2.645 ( 5.355 12.649 2.382) 13.941 2.730 ( 2.474 4.869 2.049) 5.833 2.786 ( -2.248 -0.246 1.224) 2.572 2.855 ( 2.577 -1.105 -1.632) 3.244 3.054 ( 6.791 3.229 -1.345) 7.639 3.130 ( 2.406 -4.162 -1.909) 5.172 3.209 ( 3.751 4.650 3.956) 7.166 3.254 ( 0.967 3.834 2.808) 4.850 3.444 ( -0.695 7.343 2.786) 7.885 3.563 ( -1.142 -4.477 2.716) 5.359 3.655 ( 4.464 0.142 -1.772) 4.805 3.691 ( -3.709 -0.135 1.039) 3.854 3.814 ( -4.317 0.612 -2.092) 4.836 3.952 ( -2.550 -11.186 0.435) 11.482 4.164 ( -10.527 2.654 1.313) 10.936 4.206 ( -10.225 -2.631 1.653) 10.687 4.318 ( 2.316 5.060 3.440) 6.542 4.396 ( 2.249 -2.330 1.449) 3.548 4.471 ( -3.572 -1.268 -0.204) 3.796 4.575 ( -3.914 -8.647 -1.592) 9.624 4.728 ( 1.836 2.003 0.444) 2.753 4.790 ( 2.785 -2.851 1.311) 4.196 4.888 ( 5.471 0.944 -0.779) 5.606 4.972 ( 2.330 -8.619 -3.206) 9.487 5.293 ( 0.141 5.292 -2.312) 5.777 5.336 ( 1.110 1.489 -0.643) 1.966 5.435 ( 0.808 4.282 -0.145) 4.360 5.494 ( 9.021 -2.933 3.381) 10.070 5.581 ( -0.746 1.078 -1.588) 2.060 5.694 ( 3.090 -7.755 3.913) 9.220 5.776 ( 4.428 3.681 -4.641) 7.396 5.829 ( 2.967 -2.199 -6.537) 7.508 6.056 ( 0.040 -0.075 1.262) 1.265 6.080 ( -1.432 -3.004 4.833) 5.868 6.333 ( -5.592 6.368 0.339) 8.482 6.452 ( -8.072 -5.084 -0.632) 9.561 6.709 ( -1.121 1.470 2.958) 3.488 6.745 ( -1.515 -1.967 1.462) 2.881 6.912 ( -2.577 1.776 -2.371) 3.927 6.948 ( -2.578 -1.890 -3.510) 4.747 7.224 ( -2.845 1.469 -2.821) 4.267 7.257 ( -3.745 -1.558 -3.885) 5.617 7.569 ( -3.065 2.444 2.331) 4.561 7.604 ( -4.722 -0.928 3.212) 5.786 8.010 ( 3.562 3.067 1.032) 4.813 8.040 ( 1.966 0.370 -0.116) 2.004 8.209 ( 3.201 0.851 -3.401) 4.747 8.254 ( 1.140 -3.909 -1.504) 4.341 8.340 ( -0.793 1.416 2.010) 2.584 8.380 ( 0.326 -1.688 2.184) 2.779 8.525 ( 1.243 3.967 -0.026) 4.157 8.589 ( 3.503 -1.917 1.124) 4.149 8.754 ( 1.747 1.177 0.388) 2.142 8.853 ( 5.418 -9.418 1.633) 10.987 9.730 ( -1.801 5.708 2.220) 6.383 9.780 ( -0.730 0.579 2.431) 2.603 10.086 ( 5.325 5.704 -5.566) 9.585 10.110 ( 4.513 4.062 -6.791) 9.109 10.507 ( 0.060 5.066 3.717) 6.284 10.588 ( 1.021 -3.381 4.859) 6.007 11.086 ( -5.284 7.251 -1.553) 9.106 11.186 ( -3.696 -0.837 0.611) 3.839 11.265 ( -11.729 -1.636 -2.625) 12.129 11.333 ( -4.956 -7.204 -1.860) 8.940 11.724 ( -0.345 1.030 -0.302) 1.128 11.735 ( -0.239 -0.067 -0.487) 0.547 12.124 ( 9.497 8.725 0.940) 12.931 12.284 ( 11.254 -7.672 0.828) 13.645 12.804 ( -4.419 14.604 -0.069) 15.258 13.097 ( -4.050 -15.368 2.956) 16.165 13.864 ( 7.349 3.104 1.235) 8.073 13.926 ( 7.253 -3.270 1.044) 8.024 14.673 ( -4.891 0.627 -1.963) 5.307 14.715 ( -3.589 -3.512 -0.846) 5.092 ======================= Grid point 175 (88/88) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 1.874 1.663 3.771) 4.527 0.595 ( 0.221 -5.305 1.224) 5.448 1.283 ( 0.037 7.224 -2.835) 7.761 1.459 ( 0.035 -10.966 -0.533) 10.979 2.050 ( -0.163 4.012 0.158) 4.018 2.107 ( 0.237 -1.167 -0.339) 1.238 2.229 ( 0.910 5.127 -2.729) 5.879 2.268 ( -2.299 2.197 -1.123) 3.372 2.487 ( 4.320 4.469 -0.938) 6.287 2.533 ( 3.697 0.287 3.176) 4.882 2.717 ( -1.205 13.108 -0.370) 13.169 2.736 ( 3.663 3.178 1.029) 4.957 2.794 ( 1.529 -1.489 -1.921) 2.872 2.889 ( 0.977 -0.621 -0.807) 1.411 3.180 ( 4.161 3.839 1.853) 5.957 3.189 ( 2.818 2.114 -1.537) 3.844 3.262 ( 2.687 2.821 1.020) 4.027 3.292 ( 1.014 4.371 1.105) 4.621 3.430 ( 0.039 2.108 -0.014) 2.109 3.493 ( -4.242 -1.780 2.043) 5.034 3.621 ( -2.311 4.012 -0.417) 4.649 3.726 ( 2.023 -4.844 -0.513) 5.274 3.773 ( -0.463 0.669 0.725) 1.090 3.855 ( -7.005 -8.427 -3.334) 11.454 4.047 ( -1.702 -2.592 0.752) 3.191 4.059 ( -3.620 -4.377 0.832) 5.741 4.359 ( 1.679 2.853 2.463) 4.126 4.408 ( -0.733 -3.307 3.766) 5.065 4.443 ( 0.108 -0.936 -0.595) 1.115 4.502 ( -2.923 -7.054 -2.280) 7.969 4.770 ( 2.192 0.425 0.155) 2.238 4.801 ( -0.812 -2.115 -0.722) 2.377 4.995 ( 3.944 -0.819 2.194) 4.587 5.014 ( 1.530 -3.712 -1.420) 4.259 5.260 ( -1.396 6.463 -0.212) 6.616 5.338 ( -0.622 -0.177 -1.015) 1.203 5.464 ( 1.738 4.640 -0.830) 5.024 5.526 ( -3.273 0.347 -2.058) 3.882 5.661 ( 5.606 -0.744 1.933) 5.977 5.758 ( 2.833 -6.356 2.983) 7.572 5.858 ( 2.915 -0.765 -3.531) 4.642 5.876 ( 1.104 -2.325 -2.401) 3.520 6.069 ( 3.282 2.008 1.641) 4.183 6.107 ( 4.497 -2.090 1.180) 5.097 6.203 ( -7.427 3.741 1.111) 8.390 6.266 ( -10.222 -2.579 -0.606) 10.560 6.710 ( 1.045 1.637 0.969) 2.170 6.757 ( 3.172 -1.825 1.085) 3.817 6.848 ( -4.581 1.034 -1.189) 4.845 6.874 ( -3.875 -1.638 -1.979) 4.649 7.207 ( 0.254 -1.200 -2.966) 3.210 7.212 ( -0.714 -1.839 -0.662) 2.081 7.529 ( -1.406 2.139 0.904) 2.714 7.541 ( -1.548 1.257 2.118) 2.909 8.065 ( 1.836 3.698 -0.049) 4.129 8.103 ( 3.245 -0.356 -0.730) 3.345 8.244 ( -0.417 -0.320 0.592) 0.792 8.274 ( 1.490 -1.489 -2.041) 2.933 8.321 ( -0.552 -0.830 0.632) 1.180 8.362 ( -1.462 -2.937 1.715) 3.702 8.529 ( -0.169 6.127 0.235) 6.134 8.638 ( 1.282 -4.658 0.502) 4.857 8.782 ( 0.949 5.114 0.087) 5.202 8.928 ( 2.053 -10.132 0.584) 10.354 9.708 ( -0.583 6.861 0.557) 6.908 9.777 ( 0.066 -0.150 0.677) 0.697 10.163 ( 2.299 5.323 -2.848) 6.461 10.177 ( 2.523 4.746 -2.917) 6.115 10.499 ( -0.703 6.045 2.304) 6.507 10.596 ( -0.202 -4.140 3.088) 5.168 11.012 ( -1.568 3.972 -1.417) 4.499 11.081 ( -5.364 -2.769 -1.031) 6.124 11.145 ( -1.670 3.706 0.281) 4.074 11.284 ( -1.019 -9.173 -0.466) 9.241 11.719 ( -0.124 1.199 -0.131) 1.213 11.733 ( -0.047 -0.098 -0.201) 0.229 12.320 ( 10.309 10.305 0.716) 14.594 12.444 ( 1.540 1.128 0.689) 2.029 12.733 ( 0.248 4.076 -1.467) 4.339 12.961 ( -8.452 -15.576 1.450) 17.781 13.980 ( 3.709 2.863 1.016) 4.794 14.042 ( 3.801 -3.332 0.528) 5.082 14.597 ( -2.388 3.010 -1.055) 3.984 14.661 ( -1.791 -3.538 -0.422) 3.988 =================== 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 3/24696 10.0 49.265 50.177 30.554 0.000 -4.621 0.000 3/24696 20.0 15.489 15.510 8.942 0.000 -0.769 0.000 3/24696 30.0 8.675 8.637 4.929 0.000 -0.249 0.000 3/24696 40.0 5.873 5.855 3.355 0.000 -0.102 0.000 3/24696 50.0 4.386 4.388 2.529 0.000 -0.048 0.000 3/24696 60.0 3.479 3.498 2.025 0.000 -0.024 0.000 3/24696 70.0 2.876 2.907 1.688 0.000 -0.012 0.000 3/24696 80.0 2.449 2.489 1.448 0.000 -0.006 0.000 3/24696 90.0 2.132 2.178 1.268 0.000 -0.003 0.000 3/24696 100.0 1.889 1.939 1.129 0.000 -0.001 0.000 3/24696 110.0 1.697 1.749 1.018 0.000 -0.000 0.000 3/24696 120.0 1.541 1.596 0.928 0.000 0.001 0.000 3/24696 130.0 1.413 1.468 0.853 0.000 0.001 0.000 3/24696 140.0 1.305 1.360 0.790 0.000 0.001 0.000 3/24696 150.0 1.212 1.268 0.735 0.000 0.001 0.000 3/24696 160.0 1.133 1.188 0.688 0.000 0.002 0.000 3/24696 170.0 1.064 1.118 0.647 0.000 0.002 0.000 3/24696 180.0 1.003 1.056 0.611 0.000 0.002 0.000 3/24696 190.0 0.949 1.001 0.579 0.000 0.002 0.000 3/24696 200.0 0.900 0.952 0.550 0.000 0.002 0.000 3/24696 210.0 0.857 0.907 0.523 0.000 0.002 0.000 3/24696 220.0 0.817 0.866 0.500 0.000 0.002 0.000 3/24696 230.0 0.781 0.829 0.478 0.000 0.002 0.000 3/24696 240.0 0.749 0.795 0.458 0.000 0.002 0.000 3/24696 250.0 0.718 0.764 0.440 0.000 0.002 0.000 3/24696 260.0 0.691 0.735 0.423 0.000 0.002 0.000 3/24696 270.0 0.665 0.708 0.408 0.000 0.002 0.000 3/24696 280.0 0.641 0.684 0.393 0.000 0.002 0.000 3/24696 290.0 0.619 0.660 0.380 0.000 0.002 0.000 3/24696 300.0 0.599 0.639 0.367 0.000 0.002 0.000 3/24696 310.0 0.579 0.619 0.356 0.000 0.002 0.000 3/24696 320.0 0.561 0.600 0.345 0.000 0.002 0.000 3/24696 330.0 0.544 0.582 0.334 0.000 0.002 0.000 3/24696 340.0 0.528 0.565 0.324 0.000 0.002 0.000 3/24696 350.0 0.513 0.549 0.315 0.000 0.002 0.000 3/24696 360.0 0.499 0.534 0.307 0.000 0.002 0.000 3/24696 370.0 0.486 0.520 0.298 0.000 0.002 0.000 3/24696 380.0 0.473 0.506 0.291 0.000 0.002 0.000 3/24696 390.0 0.461 0.494 0.283 0.000 0.002 0.000 3/24696 400.0 0.449 0.481 0.276 0.000 0.001 0.000 3/24696 410.0 0.438 0.470 0.270 0.000 0.001 0.000 3/24696 420.0 0.428 0.459 0.263 0.000 0.001 0.000 3/24696 430.0 0.418 0.448 0.257 0.000 0.001 0.000 3/24696 440.0 0.409 0.438 0.251 0.000 0.001 0.000 3/24696 450.0 0.399 0.429 0.246 0.000 0.001 0.000 3/24696 460.0 0.391 0.419 0.240 0.000 0.001 0.000 3/24696 470.0 0.383 0.410 0.235 0.000 0.001 0.000 3/24696 480.0 0.375 0.402 0.230 0.000 0.001 0.000 3/24696 490.0 0.367 0.394 0.226 0.000 0.001 0.000 3/24696 500.0 0.360 0.386 0.221 0.000 0.001 0.000 3/24696 510.0 0.353 0.379 0.217 0.000 0.001 0.000 3/24696 520.0 0.346 0.371 0.213 0.000 0.001 0.000 3/24696 530.0 0.339 0.364 0.209 0.000 0.001 0.000 3/24696 540.0 0.333 0.358 0.205 0.000 0.001 0.000 3/24696 550.0 0.327 0.351 0.201 0.000 0.001 0.000 3/24696 560.0 0.321 0.345 0.198 0.000 0.001 0.000 3/24696 570.0 0.316 0.339 0.194 0.000 0.001 0.000 3/24696 580.0 0.310 0.333 0.191 0.000 0.001 0.000 3/24696 590.0 0.305 0.328 0.188 0.000 0.001 0.000 3/24696 600.0 0.300 0.322 0.185 0.000 0.001 0.000 3/24696 610.0 0.295 0.317 0.182 0.000 0.001 0.000 3/24696 620.0 0.290 0.312 0.179 0.000 0.001 0.000 3/24696 630.0 0.286 0.307 0.176 0.000 0.001 0.000 3/24696 640.0 0.281 0.302 0.173 0.000 0.001 0.000 3/24696 650.0 0.277 0.298 0.170 0.000 0.001 0.000 3/24696 660.0 0.273 0.293 0.168 0.000 0.001 0.000 3/24696 670.0 0.269 0.289 0.165 0.000 0.001 0.000 3/24696 680.0 0.265 0.285 0.163 0.000 0.001 0.000 3/24696 690.0 0.261 0.280 0.161 0.000 0.001 0.000 3/24696 700.0 0.257 0.277 0.158 0.000 0.001 0.000 3/24696 710.0 0.254 0.273 0.156 0.000 0.001 0.000 3/24696 720.0 0.250 0.269 0.154 0.000 0.001 0.000 3/24696 730.0 0.247 0.265 0.152 0.000 0.001 0.000 3/24696 740.0 0.243 0.262 0.150 0.000 0.001 0.000 3/24696 750.0 0.240 0.258 0.148 0.000 0.001 0.000 3/24696 760.0 0.237 0.255 0.146 0.000 0.001 0.000 3/24696 770.0 0.234 0.251 0.144 0.000 0.001 0.000 3/24696 780.0 0.231 0.248 0.142 0.000 0.001 0.000 3/24696 790.0 0.228 0.245 0.140 0.000 0.001 0.000 3/24696 800.0 0.225 0.242 0.139 0.000 0.001 0.000 3/24696 810.0 0.222 0.239 0.137 0.000 0.001 0.000 3/24696 820.0 0.220 0.236 0.135 0.000 0.001 0.000 3/24696 830.0 0.217 0.233 0.134 0.000 0.001 0.000 3/24696 840.0 0.214 0.231 0.132 0.000 0.001 0.000 3/24696 850.0 0.212 0.228 0.131 0.000 0.001 0.000 3/24696 860.0 0.209 0.225 0.129 0.000 0.001 0.000 3/24696 870.0 0.207 0.223 0.128 0.000 0.001 0.000 3/24696 880.0 0.205 0.220 0.126 0.000 0.001 0.000 3/24696 890.0 0.202 0.218 0.125 0.000 0.001 0.000 3/24696 900.0 0.200 0.215 0.123 0.000 0.001 0.000 3/24696 910.0 0.198 0.213 0.122 0.000 0.001 0.000 3/24696 920.0 0.196 0.211 0.121 0.000 0.001 0.000 3/24696 930.0 0.194 0.208 0.119 0.000 0.001 0.000 3/24696 940.0 0.192 0.206 0.118 0.000 0.001 0.000 3/24696 950.0 0.190 0.204 0.117 0.000 0.001 0.000 3/24696 960.0 0.188 0.202 0.116 0.000 0.001 0.000 3/24696 970.0 0.186 0.200 0.114 0.000 0.001 0.000 3/24696 980.0 0.184 0.198 0.113 0.000 0.001 0.000 3/24696 990.0 0.182 0.196 0.112 0.000 0.001 0.000 3/24696 1000.0 0.180 0.194 0.111 0.000 0.001 0.000 3/24696 Thermal conductivity related properties were written into "kappa-m776.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:36:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|