----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:08:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.081805921651629 0.000000000000000 0.000000000000000 b 0.000000000000000 7.293180070000000 0.000000000000000 c -1.081553408795823 0.000000000000000 11.680824938169758 Atomic positions (fractional): *1 Cs 0.84923634571488 0.16602641169085 0.42781106221921 132.905 *2 Cs 0.12463895300460 0.17833476701813 0.19270318846184 132.905 3 Cs 0.87536104699540 0.67833476701813 0.30729681153816 132.905 4 Cs 0.12463895300460 0.32166523298187 0.69270318846184 132.905 *5 Cs 0.54832430514177 0.37501364041256 0.15679859441088 132.905 6 Cs 0.15076365428512 0.83397358830916 0.57218893778079 132.905 7 Cs 0.54832430514177 0.12498635958744 0.65679859441088 132.905 8 Cs 0.87536104699540 0.82166523298187 0.80729681153816 132.905 9 Cs 0.84923634571488 0.33397358830916 0.92781106221921 132.905 10 Cs 0.45167569485823 0.62498635958744 0.84320140558912 132.905 11 Cs 0.45167569485823 0.87501364041256 0.34320140558912 132.905 12 Cs 0.15076365428512 0.66602641169084 0.07218893778079 132.905 *13 In 0.65618479807302 0.58640135526824 0.56848353725775 114.818 14 In 0.65618479807302 0.91359864473176 0.06848353725775 114.818 15 In 0.34381520192698 0.41359864473176 0.43151646274225 114.818 16 In 0.34381520192698 0.08640135526824 0.93151646274225 114.818 *17 O 0.79012258045921 0.05368941657353 0.19683866329932 15.999 *18 O 0.74660575998691 0.84390828092063 0.54172305210331 15.999 *19 O 0.39698648787604 0.55113040335463 0.59162938376534 15.999 20 O 0.74660575998691 0.65609171907937 0.04172305210331 15.999 21 O 0.79012258045921 0.44631058342647 0.69683866329932 15.999 22 O 0.60301351212396 0.44886959664537 0.40837061623466 15.999 23 O 0.20987741954079 0.94631058342647 0.80316133670068 15.999 24 O 0.20987741954079 0.55368941657353 0.30316133670068 15.999 25 O 0.25339424001309 0.15609171907937 0.45827694789669 15.999 26 O 0.25339424001309 0.34390828092063 0.95827694789669 15.999 27 O 0.39698648787604 0.94886959664537 0.09162938376534 15.999 28 O 0.60301351212396 0.05113040335463 0.90837061623466 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.081805921651629 0.000000000000000 0.000000000000000 b 0.000000000000000 7.293180070000000 0.000000000000000 c -1.081553408795823 0.000000000000000 11.680824938169758 Atomic positions (fractional): *1 Cs 0.84923634571488 0.16602641169085 0.42781106221921 132.905 > 1 *2 Cs 0.12463895300460 0.17833476701813 0.19270318846184 132.905 > 2 3 Cs 0.87536104699540 0.67833476701813 0.30729681153816 132.905 > 3 4 Cs 0.12463895300460 0.32166523298187 0.69270318846184 132.905 > 4 *5 Cs 0.54832430514177 0.37501364041256 0.15679859441088 132.905 > 5 6 Cs 0.15076365428512 0.83397358830916 0.57218893778079 132.905 > 6 7 Cs 0.54832430514177 0.12498635958744 0.65679859441088 132.905 > 7 8 Cs 0.87536104699540 0.82166523298187 0.80729681153816 132.905 > 8 9 Cs 0.84923634571488 0.33397358830916 0.92781106221921 132.905 > 9 10 Cs 0.45167569485823 0.62498635958744 0.84320140558912 132.905 > 10 11 Cs 0.45167569485823 0.87501364041256 0.34320140558912 132.905 > 11 12 Cs 0.15076365428512 0.66602641169084 0.07218893778079 132.905 > 12 *13 In 0.65618479807302 0.58640135526824 0.56848353725775 114.818 > 13 14 In 0.65618479807302 0.91359864473176 0.06848353725775 114.818 > 14 15 In 0.34381520192698 0.41359864473176 0.43151646274225 114.818 > 15 16 In 0.34381520192698 0.08640135526824 0.93151646274225 114.818 > 16 *17 O 0.79012258045921 0.05368941657353 0.19683866329932 15.999 > 17 *18 O 0.74660575998691 0.84390828092063 0.54172305210331 15.999 > 18 *19 O 0.39698648787604 0.55113040335463 0.59162938376534 15.999 > 19 20 O 0.74660575998691 0.65609171907937 0.04172305210331 15.999 > 20 21 O 0.79012258045921 0.44631058342647 0.69683866329932 15.999 > 21 22 O 0.60301351212396 0.44886959664537 0.40837061623466 15.999 > 22 23 O 0.20987741954079 0.94631058342647 0.80316133670068 15.999 > 23 24 O 0.20987741954079 0.55368941657353 0.30316133670068 15.999 > 24 25 O 0.25339424001309 0.15609171907937 0.45827694789669 15.999 > 25 26 O 0.25339424001309 0.34390828092063 0.95827694789669 15.999 > 26 27 O 0.39698648787604 0.94886959664537 0.09162938376534 15.999 > 27 28 O 0.60301351212396 0.05113040335463 0.90837061623466 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.163611843303258 0.000000000000000 0.000000000000000 b 0.000000000000000 14.586360140000000 0.000000000000000 c -1.081553408795823 0.000000000000000 11.680824938169758 Atomic positions (fractional): *1 Cs 0.42461817285744 0.08301320584542 0.42781106221921 132.905 > 1 2 Cs 0.92461817285744 0.08301320584542 0.42781106221921 132.905 > 1 3 Cs 0.42461817285744 0.58301320584542 0.42781106221921 132.905 > 1 4 Cs 0.92461817285744 0.58301320584542 0.42781106221921 132.905 > 1 *5 Cs 0.06231947650230 0.08916738350907 0.19270318846184 132.905 > 2 6 Cs 0.56231947650230 0.08916738350907 0.19270318846184 132.905 > 2 7 Cs 0.06231947650230 0.58916738350907 0.19270318846184 132.905 > 2 8 Cs 0.56231947650230 0.58916738350907 0.19270318846184 132.905 > 2 9 Cs 0.43768052349770 0.33916738350907 0.30729681153816 132.905 > 3 10 Cs 0.93768052349770 0.33916738350907 0.30729681153816 132.905 > 3 11 Cs 0.43768052349770 0.83916738350907 0.30729681153816 132.905 > 3 12 Cs 0.93768052349770 0.83916738350907 0.30729681153816 132.905 > 3 13 Cs 0.06231947650230 0.16083261649093 0.69270318846184 132.905 > 4 14 Cs 0.56231947650230 0.16083261649093 0.69270318846184 132.905 > 4 15 Cs 0.06231947650230 0.66083261649093 0.69270318846184 132.905 > 4 16 Cs 0.56231947650230 0.66083261649093 0.69270318846184 132.905 > 4 *17 Cs 0.27416215257088 0.18750682020628 0.15679859441088 132.905 > 5 18 Cs 0.77416215257088 0.18750682020628 0.15679859441088 132.905 > 5 19 Cs 0.27416215257088 0.68750682020628 0.15679859441088 132.905 > 5 20 Cs 0.77416215257088 0.68750682020628 0.15679859441088 132.905 > 5 21 Cs 0.07538182714256 0.41698679415458 0.57218893778079 132.905 > 6 22 Cs 0.57538182714256 0.41698679415458 0.57218893778079 132.905 > 6 23 Cs 0.07538182714256 0.91698679415458 0.57218893778079 132.905 > 6 24 Cs 0.57538182714256 0.91698679415458 0.57218893778079 132.905 > 6 25 Cs 0.27416215257088 0.06249317979372 0.65679859441088 132.905 > 7 26 Cs 0.77416215257088 0.06249317979372 0.65679859441088 132.905 > 7 27 Cs 0.27416215257088 0.56249317979372 0.65679859441088 132.905 > 7 28 Cs 0.77416215257088 0.56249317979372 0.65679859441088 132.905 > 7 29 Cs 0.43768052349770 0.41083261649093 0.80729681153816 132.905 > 8 30 Cs 0.93768052349770 0.41083261649093 0.80729681153816 132.905 > 8 31 Cs 0.43768052349770 0.91083261649093 0.80729681153816 132.905 > 8 32 Cs 0.93768052349770 0.91083261649093 0.80729681153816 132.905 > 8 33 Cs 0.42461817285744 0.16698679415458 0.92781106221921 132.905 > 9 34 Cs 0.92461817285744 0.16698679415458 0.92781106221921 132.905 > 9 35 Cs 0.42461817285744 0.66698679415458 0.92781106221921 132.905 > 9 36 Cs 0.92461817285744 0.66698679415458 0.92781106221921 132.905 > 9 37 Cs 0.22583784742912 0.31249317979372 0.84320140558912 132.905 > 10 38 Cs 0.72583784742912 0.31249317979372 0.84320140558912 132.905 > 10 39 Cs 0.22583784742912 0.81249317979372 0.84320140558912 132.905 > 10 40 Cs 0.72583784742912 0.81249317979372 0.84320140558912 132.905 > 10 41 Cs 0.22583784742912 0.43750682020628 0.34320140558912 132.905 > 11 42 Cs 0.72583784742912 0.43750682020628 0.34320140558912 132.905 > 11 43 Cs 0.22583784742912 0.93750682020628 0.34320140558912 132.905 > 11 44 Cs 0.72583784742912 0.93750682020628 0.34320140558912 132.905 > 11 45 Cs 0.07538182714256 0.33301320584542 0.07218893778079 132.905 > 12 46 Cs 0.57538182714256 0.33301320584542 0.07218893778079 132.905 > 12 47 Cs 0.07538182714256 0.83301320584542 0.07218893778079 132.905 > 12 48 Cs 0.57538182714256 0.83301320584542 0.07218893778079 132.905 > 12 *49 In 0.32809239903651 0.29320067763412 0.56848353725775 114.818 > 13 50 In 0.82809239903651 0.29320067763412 0.56848353725775 114.818 > 13 51 In 0.32809239903651 0.79320067763412 0.56848353725775 114.818 > 13 52 In 0.82809239903651 0.79320067763412 0.56848353725775 114.818 > 13 53 In 0.32809239903651 0.45679932236588 0.06848353725775 114.818 > 14 54 In 0.82809239903651 0.45679932236588 0.06848353725775 114.818 > 14 55 In 0.32809239903651 0.95679932236588 0.06848353725775 114.818 > 14 56 In 0.82809239903651 0.95679932236588 0.06848353725775 114.818 > 14 57 In 0.17190760096349 0.20679932236588 0.43151646274225 114.818 > 15 58 In 0.67190760096349 0.20679932236588 0.43151646274225 114.818 > 15 59 In 0.17190760096349 0.70679932236588 0.43151646274225 114.818 > 15 60 In 0.67190760096349 0.70679932236588 0.43151646274225 114.818 > 15 61 In 0.17190760096349 0.04320067763412 0.93151646274225 114.818 > 16 62 In 0.67190760096349 0.04320067763412 0.93151646274225 114.818 > 16 63 In 0.17190760096349 0.54320067763412 0.93151646274225 114.818 > 16 64 In 0.67190760096349 0.54320067763412 0.93151646274225 114.818 > 16 *65 O 0.39506129022961 0.02684470828676 0.19683866329932 15.999 > 17 66 O 0.89506129022961 0.02684470828676 0.19683866329932 15.999 > 17 67 O 0.39506129022961 0.52684470828676 0.19683866329932 15.999 > 17 68 O 0.89506129022961 0.52684470828676 0.19683866329932 15.999 > 17 *69 O 0.37330287999345 0.42195414046031 0.54172305210331 15.999 > 18 70 O 0.87330287999345 0.42195414046031 0.54172305210331 15.999 > 18 71 O 0.37330287999345 0.92195414046031 0.54172305210331 15.999 > 18 72 O 0.87330287999345 0.92195414046031 0.54172305210331 15.999 > 18 *73 O 0.19849324393802 0.27556520167732 0.59162938376534 15.999 > 19 74 O 0.69849324393802 0.27556520167732 0.59162938376534 15.999 > 19 75 O 0.19849324393802 0.77556520167732 0.59162938376534 15.999 > 19 76 O 0.69849324393802 0.77556520167732 0.59162938376534 15.999 > 19 77 O 0.37330287999345 0.32804585953969 0.04172305210331 15.999 > 20 78 O 0.87330287999345 0.32804585953969 0.04172305210331 15.999 > 20 79 O 0.37330287999345 0.82804585953969 0.04172305210331 15.999 > 20 80 O 0.87330287999345 0.82804585953969 0.04172305210331 15.999 > 20 81 O 0.39506129022961 0.22315529171324 0.69683866329932 15.999 > 21 82 O 0.89506129022961 0.22315529171324 0.69683866329932 15.999 > 21 83 O 0.39506129022961 0.72315529171324 0.69683866329932 15.999 > 21 84 O 0.89506129022961 0.72315529171324 0.69683866329932 15.999 > 21 85 O 0.30150675606198 0.22443479832268 0.40837061623466 15.999 > 22 86 O 0.80150675606198 0.22443479832268 0.40837061623466 15.999 > 22 87 O 0.30150675606198 0.72443479832268 0.40837061623466 15.999 > 22 88 O 0.80150675606198 0.72443479832268 0.40837061623466 15.999 > 22 89 O 0.10493870977039 0.47315529171324 0.80316133670068 15.999 > 23 90 O 0.60493870977039 0.47315529171324 0.80316133670068 15.999 > 23 91 O 0.10493870977039 0.97315529171324 0.80316133670068 15.999 > 23 92 O 0.60493870977039 0.97315529171324 0.80316133670068 15.999 > 23 93 O 0.10493870977039 0.27684470828676 0.30316133670068 15.999 > 24 94 O 0.60493870977039 0.27684470828676 0.30316133670068 15.999 > 24 95 O 0.10493870977039 0.77684470828676 0.30316133670068 15.999 > 24 96 O 0.60493870977039 0.77684470828676 0.30316133670068 15.999 > 24 97 O 0.12669712000655 0.07804585953969 0.45827694789669 15.999 > 25 98 O 0.62669712000655 0.07804585953969 0.45827694789669 15.999 > 25 99 O 0.12669712000655 0.57804585953969 0.45827694789669 15.999 > 25 100 O 0.62669712000655 0.57804585953969 0.45827694789669 15.999 > 25 101 O 0.12669712000655 0.17195414046031 0.95827694789669 15.999 > 26 102 O 0.62669712000655 0.17195414046031 0.95827694789669 15.999 > 26 103 O 0.12669712000655 0.67195414046031 0.95827694789669 15.999 > 26 104 O 0.62669712000655 0.67195414046031 0.95827694789669 15.999 > 26 105 O 0.19849324393802 0.47443479832268 0.09162938376534 15.999 > 27 106 O 0.69849324393802 0.47443479832268 0.09162938376534 15.999 > 27 107 O 0.19849324393802 0.97443479832268 0.09162938376534 15.999 > 27 108 O 0.69849324393802 0.97443479832268 0.09162938376534 15.999 > 27 109 O 0.30150675606198 0.02556520167732 0.90837061623466 15.999 > 28 110 O 0.80150675606198 0.02556520167732 0.90837061623466 15.999 > 28 111 O 0.30150675606198 0.52556520167732 0.90837061623466 15.999 > 28 112 O 0.80150675606198 0.52556520167732 0.90837061623466 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6612218 0.0000000 0.0872274 0.0000000 3.7152868 0.0000000 0.0872222 0.0000000 3.7530552 -------------------------- Born effective charges -------------------------- 1 Cs 1.3248156 -0.0933196 0.0171222 -0.0455848 1.3730111 -0.0094172 -0.0422031 0.0107190 1.3866342 2 Cs 1.5037029 0.1251862 -0.1146222 0.1489490 1.1778861 0.0942299 -0.0288073 0.1160627 1.3050142 3 Cs 1.5037029 -0.1251862 -0.1146222 -0.1489490 1.1778861 -0.0942299 -0.0288073 -0.1160627 1.3050142 4 Cs 1.5037029 -0.1251862 -0.1146222 -0.1489490 1.1778861 -0.0942299 -0.0288073 -0.1160627 1.3050142 5 Cs 1.1015224 -0.0040088 0.0321926 0.0484254 1.3829447 -0.0034415 0.0150842 0.0364268 1.3951604 6 Cs 1.3248156 -0.0933196 0.0171222 -0.0455848 1.3730111 -0.0094172 -0.0422031 0.0107190 1.3866342 7 Cs 1.1015224 0.0040088 0.0321926 -0.0484254 1.3829447 0.0034415 0.0150842 -0.0364268 1.3951604 8 Cs 1.5037029 0.1251862 -0.1146222 0.1489490 1.1778861 0.0942299 -0.0288073 0.1160627 1.3050142 9 Cs 1.3248156 0.0933196 0.0171222 0.0455848 1.3730111 0.0094172 -0.0422031 -0.0107190 1.3866342 10 Cs 1.1015224 -0.0040088 0.0321926 0.0484254 1.3829447 -0.0034415 0.0150842 0.0364268 1.3951604 11 Cs 1.1015224 0.0040088 0.0321926 -0.0484254 1.3829447 0.0034415 0.0150842 -0.0364268 1.3951604 12 Cs 1.3248156 0.0933196 0.0171222 0.0455848 1.3730111 0.0094172 -0.0422031 -0.0107190 1.3866342 13 In 2.2784258 0.4088240 0.5204884 0.3923890 2.5038265 -0.1068078 0.5248967 -0.1907495 2.3749824 14 In 2.2784258 -0.4088240 0.5204884 -0.3923890 2.5038265 0.1068078 0.5248967 0.1907495 2.3749824 15 In 2.2784258 0.4088240 0.5204884 0.3923890 2.5038265 -0.1068078 0.5248967 -0.1907495 2.3749824 16 In 2.2784258 -0.4088240 0.5204884 -0.3923890 2.5038265 0.1068078 0.5248967 0.1907495 2.3749824 17 O -2.0878237 -0.1601073 -0.4574507 -0.1714247 -2.0883621 -0.1937823 -0.4261886 -0.2376912 -2.3157993 18 O -1.8620829 -0.2923908 0.0330590 -0.2930713 -2.4980711 0.1426442 -0.0312559 0.1368596 -1.9812413 19 O -2.2585600 -0.0741624 -0.0307894 0.0094494 -1.8512352 -0.2879786 -0.0115260 -0.2243829 -2.1647505 20 O -1.8620829 0.2923908 0.0330590 0.2930713 -2.4980711 -0.1426442 -0.0312559 -0.1368596 -1.9812413 21 O -2.0878237 0.1601073 -0.4574507 0.1714247 -2.0883621 0.1937823 -0.4261886 0.2376912 -2.3157993 22 O -2.2585600 -0.0741624 -0.0307894 0.0094494 -1.8512352 -0.2879786 -0.0115260 -0.2243829 -2.1647505 23 O -2.0878237 -0.1601073 -0.4574507 -0.1714247 -2.0883621 -0.1937823 -0.4261886 -0.2376912 -2.3157993 24 O -2.0878237 0.1601073 -0.4574507 0.1714247 -2.0883621 0.1937823 -0.4261886 0.2376912 -2.3157993 25 O -1.8620829 -0.2923908 0.0330590 -0.2930713 -2.4980711 0.1426442 -0.0312559 0.1368596 -1.9812413 26 O -1.8620829 0.2923908 0.0330590 0.2930713 -2.4980711 -0.1426442 -0.0312559 -0.1368596 -1.9812413 27 O -2.2585600 0.0741624 -0.0307894 -0.0094494 -1.8512352 0.2879786 -0.0115260 0.2243829 -2.1647505 28 O -2.2585600 0.0741624 -0.0307894 -0.0094494 -1.8512352 0.2879786 -0.0115260 0.2243829 -2.1647505 ---------------------------------------------------------------------------- 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: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 274 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 274 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 10), data: (784, 24) @ (24, 10) |-- (284, 274), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 10), data: (784, 24) @ (24, 10) |-- (284, 274), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.009 Solver_block: 200 / 880 - Time: 0.941 Solver_block: 300 / 880 - Time: 0.941 Solver_block: 400 / 880 - Time: 0.932 Solver_block: 500 / 880 - Time: 0.953 Solver_block: 600 / 880 - Time: 0.946 Solver_block: 700 / 880 - Time: 0.948 Solver_block: 800 / 880 - Time: 0.946 Solver_block: 880 / 880 - Time: 0.780 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.575 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 274 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 274 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 10), data: (784, 24) @ (24, 10) |-- (284, 274), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 10), data: (784, 24) @ (24, 10) |-- (284, 274), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), 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 2026-01-08 07:08:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:08:51]------------------------- 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/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.081805921651629 0.000000000000000 0.000000000000000 b 0.000000000000000 7.293180070000000 0.000000000000000 c -1.081553408795823 0.000000000000000 11.680824938169758 Atomic positions (fractional): 1 Cs 0.84923634571488 0.16602641169085 0.42781106221921 132.905 2 Cs 0.12463895300460 0.17833476701813 0.19270318846184 132.905 3 Cs 0.87536104699540 0.67833476701813 0.30729681153816 132.905 4 Cs 0.12463895300460 0.32166523298187 0.69270318846184 132.905 5 Cs 0.54832430514177 0.37501364041256 0.15679859441088 132.905 6 Cs 0.15076365428512 0.83397358830916 0.57218893778079 132.905 7 Cs 0.54832430514177 0.12498635958744 0.65679859441088 132.905 8 Cs 0.87536104699540 0.82166523298187 0.80729681153816 132.905 9 Cs 0.84923634571488 0.33397358830916 0.92781106221921 132.905 10 Cs 0.45167569485823 0.62498635958744 0.84320140558912 132.905 11 Cs 0.45167569485823 0.87501364041256 0.34320140558912 132.905 12 Cs 0.15076365428512 0.66602641169084 0.07218893778079 132.905 13 In 0.65618479807302 0.58640135526824 0.56848353725775 114.818 14 In 0.65618479807302 0.91359864473176 0.06848353725775 114.818 15 In 0.34381520192698 0.41359864473176 0.43151646274225 114.818 16 In 0.34381520192698 0.08640135526824 0.93151646274225 114.818 17 O 0.79012258045921 0.05368941657353 0.19683866329932 15.999 18 O 0.74660575998691 0.84390828092063 0.54172305210331 15.999 19 O 0.39698648787604 0.55113040335463 0.59162938376534 15.999 20 O 0.74660575998691 0.65609171907937 0.04172305210331 15.999 21 O 0.79012258045921 0.44631058342647 0.69683866329932 15.999 22 O 0.60301351212396 0.44886959664537 0.40837061623466 15.999 23 O 0.20987741954079 0.94631058342647 0.80316133670068 15.999 24 O 0.20987741954079 0.55368941657353 0.30316133670068 15.999 25 O 0.25339424001309 0.15609171907937 0.45827694789669 15.999 26 O 0.25339424001309 0.34390828092063 0.95827694789669 15.999 27 O 0.39698648787604 0.94886959664537 0.09162938376534 15.999 28 O 0.60301351212396 0.05113040335463 0.90837061623466 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.163611843303258 0.000000000000000 0.000000000000000 b 0.000000000000000 14.586360140000000 0.000000000000000 c -1.081553408795823 0.000000000000000 11.680824938169758 Atomic positions (fractional): 1 Cs 0.42461817285744 0.08301320584542 0.42781106221921 132.905 > 1 2 Cs 0.92461817285744 0.08301320584542 0.42781106221921 132.905 > 1 3 Cs 0.42461817285744 0.58301320584542 0.42781106221921 132.905 > 1 4 Cs 0.92461817285744 0.58301320584542 0.42781106221921 132.905 > 1 5 Cs 0.06231947650230 0.08916738350907 0.19270318846184 132.905 > 5 6 Cs 0.56231947650230 0.08916738350907 0.19270318846184 132.905 > 5 7 Cs 0.06231947650230 0.58916738350907 0.19270318846184 132.905 > 5 8 Cs 0.56231947650230 0.58916738350907 0.19270318846184 132.905 > 5 9 Cs 0.43768052349770 0.33916738350907 0.30729681153816 132.905 > 9 10 Cs 0.93768052349770 0.33916738350907 0.30729681153816 132.905 > 9 11 Cs 0.43768052349770 0.83916738350907 0.30729681153816 132.905 > 9 12 Cs 0.93768052349770 0.83916738350907 0.30729681153816 132.905 > 9 13 Cs 0.06231947650230 0.16083261649093 0.69270318846184 132.905 > 13 14 Cs 0.56231947650230 0.16083261649093 0.69270318846184 132.905 > 13 15 Cs 0.06231947650230 0.66083261649093 0.69270318846184 132.905 > 13 16 Cs 0.56231947650230 0.66083261649093 0.69270318846184 132.905 > 13 17 Cs 0.27416215257088 0.18750682020628 0.15679859441088 132.905 > 17 18 Cs 0.77416215257088 0.18750682020628 0.15679859441088 132.905 > 17 19 Cs 0.27416215257088 0.68750682020628 0.15679859441088 132.905 > 17 20 Cs 0.77416215257088 0.68750682020628 0.15679859441088 132.905 > 17 21 Cs 0.07538182714256 0.41698679415458 0.57218893778079 132.905 > 21 22 Cs 0.57538182714256 0.41698679415458 0.57218893778079 132.905 > 21 23 Cs 0.07538182714256 0.91698679415458 0.57218893778079 132.905 > 21 24 Cs 0.57538182714256 0.91698679415458 0.57218893778079 132.905 > 21 25 Cs 0.27416215257088 0.06249317979372 0.65679859441088 132.905 > 25 26 Cs 0.77416215257088 0.06249317979372 0.65679859441088 132.905 > 25 27 Cs 0.27416215257088 0.56249317979372 0.65679859441088 132.905 > 25 28 Cs 0.77416215257088 0.56249317979372 0.65679859441088 132.905 > 25 29 Cs 0.43768052349770 0.41083261649093 0.80729681153816 132.905 > 29 30 Cs 0.93768052349770 0.41083261649093 0.80729681153816 132.905 > 29 31 Cs 0.43768052349770 0.91083261649093 0.80729681153816 132.905 > 29 32 Cs 0.93768052349770 0.91083261649093 0.80729681153816 132.905 > 29 33 Cs 0.42461817285744 0.16698679415458 0.92781106221921 132.905 > 33 34 Cs 0.92461817285744 0.16698679415458 0.92781106221921 132.905 > 33 35 Cs 0.42461817285744 0.66698679415458 0.92781106221921 132.905 > 33 36 Cs 0.92461817285744 0.66698679415458 0.92781106221921 132.905 > 33 37 Cs 0.22583784742912 0.31249317979372 0.84320140558912 132.905 > 37 38 Cs 0.72583784742912 0.31249317979372 0.84320140558912 132.905 > 37 39 Cs 0.22583784742912 0.81249317979372 0.84320140558912 132.905 > 37 40 Cs 0.72583784742912 0.81249317979372 0.84320140558912 132.905 > 37 41 Cs 0.22583784742912 0.43750682020628 0.34320140558912 132.905 > 41 42 Cs 0.72583784742912 0.43750682020628 0.34320140558912 132.905 > 41 43 Cs 0.22583784742912 0.93750682020628 0.34320140558912 132.905 > 41 44 Cs 0.72583784742912 0.93750682020628 0.34320140558912 132.905 > 41 45 Cs 0.07538182714256 0.33301320584542 0.07218893778079 132.905 > 45 46 Cs 0.57538182714256 0.33301320584542 0.07218893778079 132.905 > 45 47 Cs 0.07538182714256 0.83301320584542 0.07218893778079 132.905 > 45 48 Cs 0.57538182714256 0.83301320584542 0.07218893778079 132.905 > 45 49 In 0.32809239903651 0.29320067763412 0.56848353725775 114.818 > 49 50 In 0.82809239903651 0.29320067763412 0.56848353725775 114.818 > 49 51 In 0.32809239903651 0.79320067763412 0.56848353725775 114.818 > 49 52 In 0.82809239903651 0.79320067763412 0.56848353725775 114.818 > 49 53 In 0.32809239903651 0.45679932236588 0.06848353725775 114.818 > 53 54 In 0.82809239903651 0.45679932236588 0.06848353725775 114.818 > 53 55 In 0.32809239903651 0.95679932236588 0.06848353725775 114.818 > 53 56 In 0.82809239903651 0.95679932236588 0.06848353725775 114.818 > 53 57 In 0.17190760096349 0.20679932236588 0.43151646274225 114.818 > 57 58 In 0.67190760096349 0.20679932236588 0.43151646274225 114.818 > 57 59 In 0.17190760096349 0.70679932236588 0.43151646274225 114.818 > 57 60 In 0.67190760096349 0.70679932236588 0.43151646274225 114.818 > 57 61 In 0.17190760096349 0.04320067763412 0.93151646274225 114.818 > 61 62 In 0.67190760096349 0.04320067763412 0.93151646274225 114.818 > 61 63 In 0.17190760096349 0.54320067763412 0.93151646274225 114.818 > 61 64 In 0.67190760096349 0.54320067763412 0.93151646274225 114.818 > 61 65 O 0.39506129022961 0.02684470828676 0.19683866329932 15.999 > 65 66 O 0.89506129022961 0.02684470828676 0.19683866329932 15.999 > 65 67 O 0.39506129022961 0.52684470828676 0.19683866329932 15.999 > 65 68 O 0.89506129022961 0.52684470828676 0.19683866329932 15.999 > 65 69 O 0.37330287999345 0.42195414046031 0.54172305210331 15.999 > 69 70 O 0.87330287999345 0.42195414046031 0.54172305210331 15.999 > 69 71 O 0.37330287999345 0.92195414046031 0.54172305210331 15.999 > 69 72 O 0.87330287999345 0.92195414046031 0.54172305210331 15.999 > 69 73 O 0.19849324393802 0.27556520167732 0.59162938376534 15.999 > 73 74 O 0.69849324393802 0.27556520167732 0.59162938376534 15.999 > 73 75 O 0.19849324393802 0.77556520167732 0.59162938376534 15.999 > 73 76 O 0.69849324393802 0.77556520167732 0.59162938376534 15.999 > 73 77 O 0.37330287999345 0.32804585953969 0.04172305210331 15.999 > 77 78 O 0.87330287999345 0.32804585953969 0.04172305210331 15.999 > 77 79 O 0.37330287999345 0.82804585953969 0.04172305210331 15.999 > 77 80 O 0.87330287999345 0.82804585953969 0.04172305210331 15.999 > 77 81 O 0.39506129022961 0.22315529171324 0.69683866329932 15.999 > 81 82 O 0.89506129022961 0.22315529171324 0.69683866329932 15.999 > 81 83 O 0.39506129022961 0.72315529171324 0.69683866329932 15.999 > 81 84 O 0.89506129022961 0.72315529171324 0.69683866329932 15.999 > 81 85 O 0.30150675606198 0.22443479832268 0.40837061623466 15.999 > 85 86 O 0.80150675606198 0.22443479832268 0.40837061623466 15.999 > 85 87 O 0.30150675606198 0.72443479832268 0.40837061623466 15.999 > 85 88 O 0.80150675606198 0.72443479832268 0.40837061623466 15.999 > 85 89 O 0.10493870977039 0.47315529171324 0.80316133670068 15.999 > 89 90 O 0.60493870977039 0.47315529171324 0.80316133670068 15.999 > 89 91 O 0.10493870977039 0.97315529171324 0.80316133670068 15.999 > 89 92 O 0.60493870977039 0.97315529171324 0.80316133670068 15.999 > 89 93 O 0.10493870977039 0.27684470828676 0.30316133670068 15.999 > 93 94 O 0.60493870977039 0.27684470828676 0.30316133670068 15.999 > 93 95 O 0.10493870977039 0.77684470828676 0.30316133670068 15.999 > 93 96 O 0.60493870977039 0.77684470828676 0.30316133670068 15.999 > 93 97 O 0.12669712000655 0.07804585953969 0.45827694789669 15.999 > 97 98 O 0.62669712000655 0.07804585953969 0.45827694789669 15.999 > 97 99 O 0.12669712000655 0.57804585953969 0.45827694789669 15.999 > 97 100 O 0.62669712000655 0.57804585953969 0.45827694789669 15.999 > 97 101 O 0.12669712000655 0.17195414046031 0.95827694789669 15.999 > 101 102 O 0.62669712000655 0.17195414046031 0.95827694789669 15.999 > 101 103 O 0.12669712000655 0.67195414046031 0.95827694789669 15.999 > 101 104 O 0.62669712000655 0.67195414046031 0.95827694789669 15.999 > 101 105 O 0.19849324393802 0.47443479832268 0.09162938376534 15.999 > 105 106 O 0.69849324393802 0.47443479832268 0.09162938376534 15.999 > 105 107 O 0.19849324393802 0.97443479832268 0.09162938376534 15.999 > 105 108 O 0.69849324393802 0.97443479832268 0.09162938376534 15.999 > 105 109 O 0.30150675606198 0.02556520167732 0.90837061623466 15.999 > 109 110 O 0.80150675606198 0.02556520167732 0.90837061623466 15.999 > 109 111 O 0.30150675606198 0.52556520167732 0.90837061623466 15.999 > 109 112 O 0.80150675606198 0.52556520167732 0.90837061623466 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6612218 0.0000000 0.0872274 0.0000000 3.7152868 0.0000000 0.0872222 0.0000000 3.7530552 -------------------------- Born effective charges -------------------------- 1 Cs 1.3248156 -0.0933196 0.0171222 -0.0455848 1.3730111 -0.0094172 -0.0422031 0.0107190 1.3866342 2 Cs 1.5037029 0.1251862 -0.1146222 0.1489490 1.1778861 0.0942299 -0.0288073 0.1160627 1.3050142 3 Cs 1.5037029 -0.1251862 -0.1146222 -0.1489490 1.1778861 -0.0942299 -0.0288073 -0.1160627 1.3050142 4 Cs 1.5037029 -0.1251862 -0.1146222 -0.1489490 1.1778861 -0.0942299 -0.0288073 -0.1160627 1.3050142 5 Cs 1.1015224 -0.0040088 0.0321926 0.0484254 1.3829447 -0.0034415 0.0150842 0.0364268 1.3951604 6 Cs 1.3248156 -0.0933196 0.0171222 -0.0455848 1.3730111 -0.0094172 -0.0422031 0.0107190 1.3866342 7 Cs 1.1015224 0.0040088 0.0321926 -0.0484254 1.3829447 0.0034415 0.0150842 -0.0364268 1.3951604 8 Cs 1.5037029 0.1251862 -0.1146222 0.1489490 1.1778861 0.0942299 -0.0288073 0.1160627 1.3050142 9 Cs 1.3248156 0.0933196 0.0171222 0.0455848 1.3730111 0.0094172 -0.0422031 -0.0107190 1.3866342 10 Cs 1.1015224 -0.0040088 0.0321926 0.0484254 1.3829447 -0.0034415 0.0150842 0.0364268 1.3951604 11 Cs 1.1015224 0.0040088 0.0321926 -0.0484254 1.3829447 0.0034415 0.0150842 -0.0364268 1.3951604 12 Cs 1.3248156 0.0933196 0.0171222 0.0455848 1.3730111 0.0094172 -0.0422031 -0.0107190 1.3866342 13 In 2.2784258 0.4088240 0.5204884 0.3923890 2.5038265 -0.1068078 0.5248967 -0.1907495 2.3749824 14 In 2.2784258 -0.4088240 0.5204884 -0.3923890 2.5038265 0.1068078 0.5248967 0.1907495 2.3749824 15 In 2.2784258 0.4088240 0.5204884 0.3923890 2.5038265 -0.1068078 0.5248967 -0.1907495 2.3749824 16 In 2.2784258 -0.4088240 0.5204884 -0.3923890 2.5038265 0.1068078 0.5248967 0.1907495 2.3749824 17 O -2.0878237 -0.1601073 -0.4574507 -0.1714247 -2.0883621 -0.1937823 -0.4261886 -0.2376912 -2.3157993 18 O -1.8620829 -0.2923908 0.0330590 -0.2930713 -2.4980711 0.1426442 -0.0312559 0.1368596 -1.9812413 19 O -2.2585600 -0.0741624 -0.0307894 0.0094494 -1.8512352 -0.2879786 -0.0115260 -0.2243829 -2.1647505 20 O -1.8620829 0.2923908 0.0330590 0.2930713 -2.4980711 -0.1426442 -0.0312559 -0.1368596 -1.9812413 21 O -2.0878237 0.1601073 -0.4574507 0.1714247 -2.0883621 0.1937823 -0.4261886 0.2376912 -2.3157993 22 O -2.2585600 -0.0741624 -0.0307894 0.0094494 -1.8512352 -0.2879786 -0.0115260 -0.2243829 -2.1647505 23 O -2.0878237 -0.1601073 -0.4574507 -0.1714247 -2.0883621 -0.1937823 -0.4261886 -0.2376912 -2.3157993 24 O -2.0878237 0.1601073 -0.4574507 0.1714247 -2.0883621 0.1937823 -0.4261886 0.2376912 -2.3157993 25 O -1.8620829 -0.2923908 0.0330590 -0.2930713 -2.4980711 0.1426442 -0.0312559 0.1368596 -1.9812413 26 O -1.8620829 0.2923908 0.0330590 0.2930713 -2.4980711 -0.1426442 -0.0312559 -0.1368596 -1.9812413 27 O -2.2585600 0.0741624 -0.0307894 -0.0094494 -1.8512352 0.2879786 -0.0115260 0.2243829 -2.1647505 28 O -2.2585600 0.0741624 -0.0307894 -0.0094494 -1.8512352 0.2879786 -0.0115260 0.2243829 -2.1647505 ---------------------------------------------------------------------------- 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] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:09:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:09:24]------------------------- 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/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.081805921651629 0.000000000000000 0.000000000000000 b 0.000000000000000 7.293180070000000 0.000000000000000 c -1.081553408795823 0.000000000000000 11.680824938169758 Atomic positions (fractional): 1 Cs 0.84923634571488 0.16602641169085 0.42781106221921 132.905 2 Cs 0.12463895300460 0.17833476701813 0.19270318846184 132.905 3 Cs 0.87536104699540 0.67833476701813 0.30729681153816 132.905 4 Cs 0.12463895300460 0.32166523298187 0.69270318846184 132.905 5 Cs 0.54832430514177 0.37501364041256 0.15679859441088 132.905 6 Cs 0.15076365428512 0.83397358830916 0.57218893778079 132.905 7 Cs 0.54832430514177 0.12498635958744 0.65679859441088 132.905 8 Cs 0.87536104699540 0.82166523298187 0.80729681153816 132.905 9 Cs 0.84923634571488 0.33397358830916 0.92781106221921 132.905 10 Cs 0.45167569485823 0.62498635958744 0.84320140558912 132.905 11 Cs 0.45167569485823 0.87501364041256 0.34320140558912 132.905 12 Cs 0.15076365428512 0.66602641169084 0.07218893778079 132.905 13 In 0.65618479807302 0.58640135526824 0.56848353725775 114.818 14 In 0.65618479807302 0.91359864473176 0.06848353725775 114.818 15 In 0.34381520192698 0.41359864473176 0.43151646274225 114.818 16 In 0.34381520192698 0.08640135526824 0.93151646274225 114.818 17 O 0.79012258045921 0.05368941657353 0.19683866329932 15.999 18 O 0.74660575998691 0.84390828092063 0.54172305210331 15.999 19 O 0.39698648787604 0.55113040335463 0.59162938376534 15.999 20 O 0.74660575998691 0.65609171907937 0.04172305210331 15.999 21 O 0.79012258045921 0.44631058342647 0.69683866329932 15.999 22 O 0.60301351212396 0.44886959664537 0.40837061623466 15.999 23 O 0.20987741954079 0.94631058342647 0.80316133670068 15.999 24 O 0.20987741954079 0.55368941657353 0.30316133670068 15.999 25 O 0.25339424001309 0.15609171907937 0.45827694789669 15.999 26 O 0.25339424001309 0.34390828092063 0.95827694789669 15.999 27 O 0.39698648787604 0.94886959664537 0.09162938376534 15.999 28 O 0.60301351212396 0.05113040335463 0.90837061623466 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.163611843303258 0.000000000000000 0.000000000000000 b 0.000000000000000 14.586360140000000 0.000000000000000 c -1.081553408795823 0.000000000000000 11.680824938169758 Atomic positions (fractional): 1 Cs 0.42461817285744 0.08301320584542 0.42781106221921 132.905 > 1 2 Cs 0.92461817285744 0.08301320584542 0.42781106221921 132.905 > 1 3 Cs 0.42461817285744 0.58301320584542 0.42781106221921 132.905 > 1 4 Cs 0.92461817285744 0.58301320584542 0.42781106221921 132.905 > 1 5 Cs 0.06231947650230 0.08916738350907 0.19270318846184 132.905 > 5 6 Cs 0.56231947650230 0.08916738350907 0.19270318846184 132.905 > 5 7 Cs 0.06231947650230 0.58916738350907 0.19270318846184 132.905 > 5 8 Cs 0.56231947650230 0.58916738350907 0.19270318846184 132.905 > 5 9 Cs 0.43768052349770 0.33916738350907 0.30729681153816 132.905 > 9 10 Cs 0.93768052349770 0.33916738350907 0.30729681153816 132.905 > 9 11 Cs 0.43768052349770 0.83916738350907 0.30729681153816 132.905 > 9 12 Cs 0.93768052349770 0.83916738350907 0.30729681153816 132.905 > 9 13 Cs 0.06231947650230 0.16083261649093 0.69270318846184 132.905 > 13 14 Cs 0.56231947650230 0.16083261649093 0.69270318846184 132.905 > 13 15 Cs 0.06231947650230 0.66083261649093 0.69270318846184 132.905 > 13 16 Cs 0.56231947650230 0.66083261649093 0.69270318846184 132.905 > 13 17 Cs 0.27416215257088 0.18750682020628 0.15679859441088 132.905 > 17 18 Cs 0.77416215257088 0.18750682020628 0.15679859441088 132.905 > 17 19 Cs 0.27416215257088 0.68750682020628 0.15679859441088 132.905 > 17 20 Cs 0.77416215257088 0.68750682020628 0.15679859441088 132.905 > 17 21 Cs 0.07538182714256 0.41698679415458 0.57218893778079 132.905 > 21 22 Cs 0.57538182714256 0.41698679415458 0.57218893778079 132.905 > 21 23 Cs 0.07538182714256 0.91698679415458 0.57218893778079 132.905 > 21 24 Cs 0.57538182714256 0.91698679415458 0.57218893778079 132.905 > 21 25 Cs 0.27416215257088 0.06249317979372 0.65679859441088 132.905 > 25 26 Cs 0.77416215257088 0.06249317979372 0.65679859441088 132.905 > 25 27 Cs 0.27416215257088 0.56249317979372 0.65679859441088 132.905 > 25 28 Cs 0.77416215257088 0.56249317979372 0.65679859441088 132.905 > 25 29 Cs 0.43768052349770 0.41083261649093 0.80729681153816 132.905 > 29 30 Cs 0.93768052349770 0.41083261649093 0.80729681153816 132.905 > 29 31 Cs 0.43768052349770 0.91083261649093 0.80729681153816 132.905 > 29 32 Cs 0.93768052349770 0.91083261649093 0.80729681153816 132.905 > 29 33 Cs 0.42461817285744 0.16698679415458 0.92781106221921 132.905 > 33 34 Cs 0.92461817285744 0.16698679415458 0.92781106221921 132.905 > 33 35 Cs 0.42461817285744 0.66698679415458 0.92781106221921 132.905 > 33 36 Cs 0.92461817285744 0.66698679415458 0.92781106221921 132.905 > 33 37 Cs 0.22583784742912 0.31249317979372 0.84320140558912 132.905 > 37 38 Cs 0.72583784742912 0.31249317979372 0.84320140558912 132.905 > 37 39 Cs 0.22583784742912 0.81249317979372 0.84320140558912 132.905 > 37 40 Cs 0.72583784742912 0.81249317979372 0.84320140558912 132.905 > 37 41 Cs 0.22583784742912 0.43750682020628 0.34320140558912 132.905 > 41 42 Cs 0.72583784742912 0.43750682020628 0.34320140558912 132.905 > 41 43 Cs 0.22583784742912 0.93750682020628 0.34320140558912 132.905 > 41 44 Cs 0.72583784742912 0.93750682020628 0.34320140558912 132.905 > 41 45 Cs 0.07538182714256 0.33301320584542 0.07218893778079 132.905 > 45 46 Cs 0.57538182714256 0.33301320584542 0.07218893778079 132.905 > 45 47 Cs 0.07538182714256 0.83301320584542 0.07218893778079 132.905 > 45 48 Cs 0.57538182714256 0.83301320584542 0.07218893778079 132.905 > 45 49 In 0.32809239903651 0.29320067763412 0.56848353725775 114.818 > 49 50 In 0.82809239903651 0.29320067763412 0.56848353725775 114.818 > 49 51 In 0.32809239903651 0.79320067763412 0.56848353725775 114.818 > 49 52 In 0.82809239903651 0.79320067763412 0.56848353725775 114.818 > 49 53 In 0.32809239903651 0.45679932236588 0.06848353725775 114.818 > 53 54 In 0.82809239903651 0.45679932236588 0.06848353725775 114.818 > 53 55 In 0.32809239903651 0.95679932236588 0.06848353725775 114.818 > 53 56 In 0.82809239903651 0.95679932236588 0.06848353725775 114.818 > 53 57 In 0.17190760096349 0.20679932236588 0.43151646274225 114.818 > 57 58 In 0.67190760096349 0.20679932236588 0.43151646274225 114.818 > 57 59 In 0.17190760096349 0.70679932236588 0.43151646274225 114.818 > 57 60 In 0.67190760096349 0.70679932236588 0.43151646274225 114.818 > 57 61 In 0.17190760096349 0.04320067763412 0.93151646274225 114.818 > 61 62 In 0.67190760096349 0.04320067763412 0.93151646274225 114.818 > 61 63 In 0.17190760096349 0.54320067763412 0.93151646274225 114.818 > 61 64 In 0.67190760096349 0.54320067763412 0.93151646274225 114.818 > 61 65 O 0.39506129022961 0.02684470828676 0.19683866329932 15.999 > 65 66 O 0.89506129022961 0.02684470828676 0.19683866329932 15.999 > 65 67 O 0.39506129022961 0.52684470828676 0.19683866329932 15.999 > 65 68 O 0.89506129022961 0.52684470828676 0.19683866329932 15.999 > 65 69 O 0.37330287999345 0.42195414046031 0.54172305210331 15.999 > 69 70 O 0.87330287999345 0.42195414046031 0.54172305210331 15.999 > 69 71 O 0.37330287999345 0.92195414046031 0.54172305210331 15.999 > 69 72 O 0.87330287999345 0.92195414046031 0.54172305210331 15.999 > 69 73 O 0.19849324393802 0.27556520167732 0.59162938376534 15.999 > 73 74 O 0.69849324393802 0.27556520167732 0.59162938376534 15.999 > 73 75 O 0.19849324393802 0.77556520167732 0.59162938376534 15.999 > 73 76 O 0.69849324393802 0.77556520167732 0.59162938376534 15.999 > 73 77 O 0.37330287999345 0.32804585953969 0.04172305210331 15.999 > 77 78 O 0.87330287999345 0.32804585953969 0.04172305210331 15.999 > 77 79 O 0.37330287999345 0.82804585953969 0.04172305210331 15.999 > 77 80 O 0.87330287999345 0.82804585953969 0.04172305210331 15.999 > 77 81 O 0.39506129022961 0.22315529171324 0.69683866329932 15.999 > 81 82 O 0.89506129022961 0.22315529171324 0.69683866329932 15.999 > 81 83 O 0.39506129022961 0.72315529171324 0.69683866329932 15.999 > 81 84 O 0.89506129022961 0.72315529171324 0.69683866329932 15.999 > 81 85 O 0.30150675606198 0.22443479832268 0.40837061623466 15.999 > 85 86 O 0.80150675606198 0.22443479832268 0.40837061623466 15.999 > 85 87 O 0.30150675606198 0.72443479832268 0.40837061623466 15.999 > 85 88 O 0.80150675606198 0.72443479832268 0.40837061623466 15.999 > 85 89 O 0.10493870977039 0.47315529171324 0.80316133670068 15.999 > 89 90 O 0.60493870977039 0.47315529171324 0.80316133670068 15.999 > 89 91 O 0.10493870977039 0.97315529171324 0.80316133670068 15.999 > 89 92 O 0.60493870977039 0.97315529171324 0.80316133670068 15.999 > 89 93 O 0.10493870977039 0.27684470828676 0.30316133670068 15.999 > 93 94 O 0.60493870977039 0.27684470828676 0.30316133670068 15.999 > 93 95 O 0.10493870977039 0.77684470828676 0.30316133670068 15.999 > 93 96 O 0.60493870977039 0.77684470828676 0.30316133670068 15.999 > 93 97 O 0.12669712000655 0.07804585953969 0.45827694789669 15.999 > 97 98 O 0.62669712000655 0.07804585953969 0.45827694789669 15.999 > 97 99 O 0.12669712000655 0.57804585953969 0.45827694789669 15.999 > 97 100 O 0.62669712000655 0.57804585953969 0.45827694789669 15.999 > 97 101 O 0.12669712000655 0.17195414046031 0.95827694789669 15.999 > 101 102 O 0.62669712000655 0.17195414046031 0.95827694789669 15.999 > 101 103 O 0.12669712000655 0.67195414046031 0.95827694789669 15.999 > 101 104 O 0.62669712000655 0.67195414046031 0.95827694789669 15.999 > 101 105 O 0.19849324393802 0.47443479832268 0.09162938376534 15.999 > 105 106 O 0.69849324393802 0.47443479832268 0.09162938376534 15.999 > 105 107 O 0.19849324393802 0.97443479832268 0.09162938376534 15.999 > 105 108 O 0.69849324393802 0.97443479832268 0.09162938376534 15.999 > 105 109 O 0.30150675606198 0.02556520167732 0.90837061623466 15.999 > 109 110 O 0.80150675606198 0.02556520167732 0.90837061623466 15.999 > 109 111 O 0.30150675606198 0.52556520167732 0.90837061623466 15.999 > 109 112 O 0.80150675606198 0.52556520167732 0.90837061623466 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6612218 0.0000000 0.0872274 0.0000000 3.7152868 0.0000000 0.0872222 0.0000000 3.7530552 -------------------------- Born effective charges -------------------------- 1 Cs 1.3248156 -0.0933196 0.0171222 -0.0455848 1.3730111 -0.0094172 -0.0422031 0.0107190 1.3866342 2 Cs 1.5037029 0.1251862 -0.1146222 0.1489490 1.1778861 0.0942299 -0.0288073 0.1160627 1.3050142 3 Cs 1.5037029 -0.1251862 -0.1146222 -0.1489490 1.1778861 -0.0942299 -0.0288073 -0.1160627 1.3050142 4 Cs 1.5037029 -0.1251862 -0.1146222 -0.1489490 1.1778861 -0.0942299 -0.0288073 -0.1160627 1.3050142 5 Cs 1.1015224 -0.0040088 0.0321926 0.0484254 1.3829447 -0.0034415 0.0150842 0.0364268 1.3951604 6 Cs 1.3248156 -0.0933196 0.0171222 -0.0455848 1.3730111 -0.0094172 -0.0422031 0.0107190 1.3866342 7 Cs 1.1015224 0.0040088 0.0321926 -0.0484254 1.3829447 0.0034415 0.0150842 -0.0364268 1.3951604 8 Cs 1.5037029 0.1251862 -0.1146222 0.1489490 1.1778861 0.0942299 -0.0288073 0.1160627 1.3050142 9 Cs 1.3248156 0.0933196 0.0171222 0.0455848 1.3730111 0.0094172 -0.0422031 -0.0107190 1.3866342 10 Cs 1.1015224 -0.0040088 0.0321926 0.0484254 1.3829447 -0.0034415 0.0150842 0.0364268 1.3951604 11 Cs 1.1015224 0.0040088 0.0321926 -0.0484254 1.3829447 0.0034415 0.0150842 -0.0364268 1.3951604 12 Cs 1.3248156 0.0933196 0.0171222 0.0455848 1.3730111 0.0094172 -0.0422031 -0.0107190 1.3866342 13 In 2.2784258 0.4088240 0.5204884 0.3923890 2.5038265 -0.1068078 0.5248967 -0.1907495 2.3749824 14 In 2.2784258 -0.4088240 0.5204884 -0.3923890 2.5038265 0.1068078 0.5248967 0.1907495 2.3749824 15 In 2.2784258 0.4088240 0.5204884 0.3923890 2.5038265 -0.1068078 0.5248967 -0.1907495 2.3749824 16 In 2.2784258 -0.4088240 0.5204884 -0.3923890 2.5038265 0.1068078 0.5248967 0.1907495 2.3749824 17 O -2.0878237 -0.1601073 -0.4574507 -0.1714247 -2.0883621 -0.1937823 -0.4261886 -0.2376912 -2.3157993 18 O -1.8620829 -0.2923908 0.0330590 -0.2930713 -2.4980711 0.1426442 -0.0312559 0.1368596 -1.9812413 19 O -2.2585600 -0.0741624 -0.0307894 0.0094494 -1.8512352 -0.2879786 -0.0115260 -0.2243829 -2.1647505 20 O -1.8620829 0.2923908 0.0330590 0.2930713 -2.4980711 -0.1426442 -0.0312559 -0.1368596 -1.9812413 21 O -2.0878237 0.1601073 -0.4574507 0.1714247 -2.0883621 0.1937823 -0.4261886 0.2376912 -2.3157993 22 O -2.2585600 -0.0741624 -0.0307894 0.0094494 -1.8512352 -0.2879786 -0.0115260 -0.2243829 -2.1647505 23 O -2.0878237 -0.1601073 -0.4574507 -0.1714247 -2.0883621 -0.1937823 -0.4261886 -0.2376912 -2.3157993 24 O -2.0878237 0.1601073 -0.4574507 0.1714247 -2.0883621 0.1937823 -0.4261886 0.2376912 -2.3157993 25 O -1.8620829 -0.2923908 0.0330590 -0.2930713 -2.4980711 0.1426442 -0.0312559 0.1368596 -1.9812413 26 O -1.8620829 0.2923908 0.0330590 0.2930713 -2.4980711 -0.1426442 -0.0312559 -0.1368596 -1.9812413 27 O -2.2585600 0.0741624 -0.0307894 -0.0094494 -1.8512352 0.2879786 -0.0115260 0.2243829 -2.1647505 28 O -2.2585600 0.0741624 -0.0307894 -0.0094494 -1.8512352 0.2879786 -0.0115260 0.2243829 -2.1647505 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) 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 ... [ 6 7 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 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 0.991 ( 0.000 0.000 0.000) 0.000 1.075 ( 0.000 0.000 0.000) 0.000 1.153 ( 0.000 0.000 0.000) 0.000 1.190 ( 0.000 0.000 0.000) 0.000 1.240 ( 0.000 0.000 0.000) 0.000 1.242 ( 0.000 0.000 0.000) 0.000 1.276 ( 0.000 0.000 0.000) 0.000 1.345 ( 0.000 0.000 0.000) 0.000 1.372 ( 0.000 0.000 0.000) 0.000 1.440 ( 0.000 0.000 0.000) 0.000 1.464 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 1.544 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.782 ( 0.000 0.000 0.000) 0.000 1.824 ( 0.000 0.000 0.000) 0.000 1.867 ( 0.000 0.000 0.000) 0.000 1.876 ( 0.000 0.000 0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 2.111 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.173 ( 0.000 0.000 0.000) 0.000 2.259 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.309 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.483 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.770 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.669 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.770 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 5.386 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 6.246 ( 0.000 0.000 0.000) 0.000 6.572 ( 0.000 0.000 0.000) 0.000 6.745 ( 0.000 0.000 0.000) 0.000 7.042 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 7.548 ( 0.000 0.000 0.000) 0.000 11.737 ( 0.000 0.000 0.000) 0.000 11.752 ( 0.000 0.000 0.000) 0.000 11.804 ( 0.000 0.000 0.000) 0.000 11.835 ( 0.000 0.000 0.000) 0.000 12.957 ( 0.000 0.000 0.000) 0.000 13.195 ( 0.000 0.000 0.000) 0.000 13.810 ( 0.000 0.000 0.000) 0.000 13.983 ( 0.000 0.000 0.000) 0.000 14.958 ( 0.000 0.000 0.000) 0.000 14.970 ( 0.000 0.000 0.000) 0.000 15.276 ( 0.000 0.000 0.000) 0.000 15.446 ( 0.000 0.000 0.000) 0.000 16.064 ( 0.000 0.000 0.000) 0.000 16.171 ( 0.000 0.000 0.000) 0.000 16.393 ( 0.000 0.000 0.000) 0.000 16.426 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.258 ( 11.312 0.000 3.795) 11.932 0.336 ( 16.516 0.000 -2.996) 16.785 0.585 ( 25.677 0.000 12.254) 28.451 0.944 ( -8.153 0.000 4.340) 9.236 1.051 ( 5.548 0.000 -2.120) 5.939 1.108 ( -7.016 0.000 -2.907) 7.594 1.141 ( -4.857 0.000 -2.209) 5.335 1.188 ( 3.076 0.000 -0.663) 3.147 1.295 ( 3.052 0.000 1.055) 3.229 1.297 ( -3.392 0.000 -3.867) 5.144 1.350 ( -4.019 0.000 4.391) 5.953 1.378 ( -0.614 0.000 3.969) 4.016 1.426 ( 6.739 0.000 -1.470) 6.898 1.472 ( -1.645 0.000 -0.982) 1.915 1.489 ( -1.806 0.000 -5.701) 5.980 1.594 ( 1.655 0.000 -1.453) 2.202 1.702 ( 8.050 0.000 -2.808) 8.526 1.773 ( 0.741 0.000 -0.538) 0.916 1.776 ( -3.834 0.000 -0.974) 3.956 1.823 ( 2.633 0.000 8.242) 8.653 1.868 ( -0.170 0.000 1.647) 1.655 1.900 ( 1.272 0.000 1.688) 2.113 1.909 ( 1.804 0.000 0.101) 1.807 2.083 ( -2.142 0.000 -2.598) 3.367 2.107 ( -1.688 0.000 1.336) 2.153 2.198 ( -1.732 0.000 3.957) 4.319 2.260 ( -3.294 0.000 -4.309) 5.424 2.261 ( -7.499 0.000 5.625) 9.374 2.274 ( -2.147 0.000 2.717) 3.463 2.276 ( 1.854 0.000 -4.798) 5.144 2.360 ( -2.786 0.000 -1.966) 3.410 2.371 ( 1.280 0.000 -3.440) 3.671 2.451 ( 1.041 0.000 0.566) 1.185 2.563 ( -4.033 0.000 -6.361) 7.532 2.580 ( 4.864 0.000 -2.871) 5.648 2.595 ( -5.890 0.000 3.719) 6.966 2.641 ( -2.242 0.000 0.418) 2.281 2.781 ( -0.075 0.000 -1.744) 1.746 2.874 ( 2.669 0.000 0.842) 2.799 2.885 ( -0.533 0.000 6.977) 6.997 2.967 ( -0.923 0.000 -21.505) 21.525 2.996 ( 4.758 0.000 8.077) 9.375 3.089 ( -2.873 0.000 1.826) 3.405 3.135 ( 0.595 0.000 1.174) 1.316 3.232 ( 2.258 0.000 6.813) 7.178 3.261 ( 3.314 0.000 0.360) 3.333 3.798 ( 2.164 0.000 1.280) 2.514 3.861 ( 1.674 0.000 2.602) 3.093 3.987 ( -2.366 0.000 -1.356) 2.727 4.011 ( -5.788 0.000 0.252) 5.794 4.407 ( -10.627 0.000 -0.635) 10.646 4.466 ( 2.220 0.000 -2.405) 3.273 4.646 ( -7.453 0.000 -2.378) 7.823 4.663 ( -1.046 0.000 0.576) 1.194 4.757 ( -2.748 0.000 3.060) 4.113 4.925 ( 1.028 0.000 0.089) 1.032 5.239 ( -6.641 0.000 -6.506) 9.297 5.400 ( -12.755 0.000 -0.928) 12.789 5.419 ( 2.130 0.000 1.172) 2.431 5.728 ( 12.152 0.000 -0.190) 12.153 5.800 ( 9.688 0.000 1.186) 9.760 6.197 ( -8.292 0.000 -12.016) 14.599 6.479 ( 0.442 0.000 6.282) 6.297 6.811 ( -9.031 0.000 11.715) 14.792 6.918 ( 9.433 0.000 1.909) 9.624 7.104 ( 2.468 0.000 8.145) 8.510 7.444 ( 5.394 0.000 -15.717) 16.617 7.585 ( 2.950 0.000 1.842) 3.478 11.718 ( -1.174 0.000 0.622) 1.329 11.741 ( 0.354 0.000 -0.145) 0.382 11.923 ( 5.667 0.000 0.597) 5.698 12.015 ( 1.657 0.000 -23.912) 23.969 13.157 ( -2.775 0.000 -2.520) 3.748 13.822 ( 1.051 0.000 -0.790) 1.315 14.012 ( 2.314 0.000 0.588) 2.388 14.036 ( -1.719 0.000 18.740) 18.819 14.968 ( -0.218 0.000 4.589) 4.594 14.974 ( 0.152 0.000 2.124) 2.130 15.272 ( -0.345 0.000 -0.320) 0.470 15.443 ( -0.154 0.000 0.051) 0.162 16.054 ( -1.047 0.000 2.311) 2.537 16.360 ( -4.008 0.000 4.266) 5.853 16.404 ( 1.132 0.000 -2.759) 2.982 16.515 ( 1.604 0.000 15.253) 15.337 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 4.981 0.000 3.280) 5.964 0.665 ( 15.629 0.000 -1.602) 15.711 0.856 ( -0.627 0.000 -2.417) 2.497 0.950 ( -5.290 0.000 3.016) 6.090 1.034 ( 12.857 0.000 7.645) 14.958 1.054 ( -3.036 0.000 -1.662) 3.461 1.173 ( 1.995 0.000 -0.727) 2.124 1.224 ( -7.168 0.000 1.949) 7.428 1.228 ( -1.702 0.000 -2.785) 3.264 1.241 ( 0.716 0.000 -3.074) 3.157 1.374 ( 5.337 0.000 4.365) 6.895 1.412 ( 5.252 0.000 2.167) 5.681 1.453 ( 2.344 0.000 -1.879) 3.004 1.475 ( 0.330 0.000 -4.636) 4.648 1.498 ( 1.186 0.000 -1.272) 1.739 1.620 ( 0.935 0.000 -2.266) 2.451 1.677 ( -5.175 0.000 0.296) 5.183 1.786 ( 3.358 0.000 -3.425) 4.797 1.836 ( -6.179 0.000 5.767) 8.452 1.855 ( 1.686 0.000 -0.355) 1.723 1.911 ( 4.575 0.000 5.952) 7.507 1.923 ( 1.685 0.000 2.209) 2.778 1.948 ( 3.238 0.000 0.680) 3.309 2.022 ( -4.950 0.000 2.393) 5.498 2.055 ( 0.340 0.000 -2.490) 2.513 2.117 ( -4.585 0.000 -2.457) 5.201 2.152 ( -5.231 0.000 -4.747) 7.064 2.173 ( -4.341 0.000 -1.518) 4.598 2.193 ( -5.139 0.000 2.388) 5.667 2.300 ( 2.401 0.000 -2.384) 3.384 2.344 ( -4.279 0.000 -1.002) 4.395 2.365 ( 2.578 0.000 2.923) 3.898 2.472 ( -3.398 0.000 -5.604) 6.554 2.489 ( 1.415 0.000 -0.335) 1.454 2.536 ( 0.228 0.000 1.061) 1.085 2.594 ( -1.772 0.000 0.684) 1.899 2.658 ( 3.080 0.000 3.894) 4.965 2.746 ( -1.968 0.000 -2.407) 3.109 2.846 ( -4.124 0.000 -0.982) 4.239 2.915 ( 1.172 0.000 0.320) 1.215 2.922 ( -0.099 0.000 -8.842) 8.843 3.035 ( -1.536 0.000 0.085) 1.538 3.118 ( 3.516 0.000 8.973) 9.638 3.176 ( 3.422 0.000 0.469) 3.454 3.302 ( 2.884 0.000 1.869) 3.437 3.319 ( 1.933 0.000 -0.647) 2.039 3.825 ( -1.224 0.000 2.650) 2.920 3.896 ( -3.518 0.000 -1.638) 3.880 3.908 ( -0.511 0.000 0.697) 0.865 3.919 ( -1.219 0.000 1.743) 2.127 4.205 ( -7.191 0.000 -1.175) 7.286 4.477 ( -2.100 0.000 -6.447) 6.781 4.521 ( -1.228 0.000 3.311) 3.532 4.629 ( -1.893 0.000 -0.074) 1.894 4.675 ( -5.099 0.000 1.939) 5.455 4.981 ( 4.078 0.000 1.340) 4.292 5.149 ( -1.825 0.000 -3.410) 3.868 5.150 ( -9.651 0.000 -0.407) 9.659 5.478 ( 2.724 0.000 1.956) 3.353 5.851 ( -9.425 0.000 -1.441) 9.534 5.930 ( 6.976 0.000 0.421) 6.989 6.075 ( 4.924 0.000 -7.044) 8.595 6.547 ( 2.774 0.000 3.241) 4.265 6.660 ( -6.059 0.000 1.853) 6.336 7.075 ( 5.300 0.000 0.952) 5.385 7.154 ( 1.282 0.000 3.916) 4.121 7.523 ( 3.513 0.000 -4.933) 6.056 7.650 ( 2.466 0.000 1.951) 3.144 11.718 ( 0.664 0.000 0.597) 0.893 11.749 ( 0.364 0.000 -0.145) 0.391 12.003 ( 0.131 0.000 -7.426) 7.427 12.022 ( 3.275 0.000 0.822) 3.377 13.101 ( -1.672 0.000 -2.511) 3.017 13.844 ( 1.074 0.000 -0.808) 1.344 14.036 ( -0.570 0.000 6.131) 6.157 14.060 ( 1.905 0.000 0.498) 1.969 14.972 ( 0.099 0.000 0.772) 0.778 14.983 ( 0.242 0.000 1.516) 1.535 15.263 ( -0.403 0.000 -0.377) 0.552 15.442 ( 0.029 0.000 0.192) 0.195 16.036 ( -0.910 0.000 1.685) 1.915 16.297 ( -2.308 0.000 0.513) 2.364 16.422 ( 0.924 0.000 -2.171) 2.360 16.564 ( 1.149 0.000 5.471) 5.591 ======================= Grid point 3 (4/56) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 0.000 0.000 0.000) 0.000 0.820 ( 0.000 0.000 0.000) 0.000 0.931 ( 0.000 0.000 -0.000) 0.000 0.992 ( -0.000 0.000 0.000) 0.000 1.011 ( -0.000 0.000 -0.000) 0.000 1.011 ( 0.000 0.000 -0.000) 0.000 1.098 ( 0.000 0.000 -0.000) 0.000 1.156 ( 0.000 0.000 0.000) 0.000 1.236 ( 0.000 0.000 0.000) 0.000 1.292 ( 0.000 0.000 -0.000) 0.000 1.429 ( 0.000 0.000 -0.000) 0.000 1.471 ( 0.000 0.000 -0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.586 ( 0.000 0.000 -0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.666 ( -0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 -0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.885 ( -0.000 0.000 0.000) 0.000 1.904 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 1.985 ( 0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 -0.000) 0.000 2.042 ( -0.000 0.000 -0.000) 0.000 2.065 ( 0.000 0.000 -0.000) 0.000 2.099 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 -0.000) 0.000 2.273 ( -0.000 0.000 -0.000) 0.000 2.346 ( 0.000 0.000 -0.000) 0.000 2.399 ( 0.000 0.000 -0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.482 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 0.000 -0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 -0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 -0.000) 0.000 3.155 ( 0.000 0.000 -0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.337 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 -0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 -0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 -0.000) 0.000 4.453 ( 0.000 0.000 -0.000) 0.000 4.523 ( 0.000 0.000 -0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 5.039 ( 0.000 0.000 -0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.130 ( 0.000 0.000 -0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 6.004 ( 0.000 0.000 -0.000) 0.000 6.142 ( 0.000 0.000 -0.000) 0.000 6.579 ( 0.000 0.000 -0.000) 0.000 6.595 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 7.556 ( 0.000 0.000 -0.000) 0.000 7.679 ( 0.000 0.000 0.000) 0.000 11.729 ( 0.000 0.000 0.000) 0.000 11.753 ( 0.000 0.000 0.000) 0.000 11.996 ( 0.000 0.000 -0.000) 0.000 12.055 ( 0.000 0.000 -0.000) 0.000 13.083 ( 0.000 0.000 0.000) 0.000 13.855 ( 0.000 0.000 0.000) 0.000 14.036 ( 0.000 0.000 -0.000) 0.000 14.082 ( 0.000 0.000 -0.000) 0.000 14.974 ( 0.000 0.000 0.000) 0.000 14.987 ( 0.000 0.000 -0.000) 0.000 15.258 ( 0.000 0.000 0.000) 0.000 15.443 ( 0.000 0.000 0.000) 0.000 16.027 ( 0.000 0.000 0.000) 0.000 16.273 ( 0.000 0.000 0.000) 0.000 16.429 ( 0.000 0.000 0.000) 0.000 16.582 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/56) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.219 ( 0.000 11.721 0.000) 11.721 0.313 ( 0.000 15.479 0.000) 15.479 0.525 ( 0.000 25.793 0.000) 25.793 1.025 ( 0.000 2.992 0.000) 2.992 1.080 ( 0.000 0.475 0.000) 0.475 1.185 ( 0.000 3.146 0.000) 3.146 1.233 ( 0.000 1.728 0.000) 1.728 1.235 ( 0.000 0.311 0.000) 0.311 1.284 ( 0.000 0.245 0.000) 0.245 1.322 ( 0.000 3.279 0.000) 3.279 1.323 ( 0.000 -3.569 0.000) 3.569 1.392 ( 0.000 -2.117 0.000) 2.117 1.426 ( 0.000 4.239 0.000) 4.239 1.497 ( 0.000 2.713 0.000) 2.713 1.527 ( 0.000 -2.119 0.000) 2.119 1.533 ( 0.000 0.578 0.000) 0.578 1.629 ( 0.000 0.429 0.000) 0.429 1.727 ( 0.000 0.440 0.000) 0.440 1.765 ( 0.000 -1.351 0.000) 1.351 1.841 ( 0.000 2.020 0.000) 2.020 1.904 ( 0.000 2.649 0.000) 2.649 1.911 ( 0.000 3.215 0.000) 3.215 1.929 ( 0.000 1.316 0.000) 1.316 2.016 ( 0.000 -4.747 0.000) 4.747 2.118 ( 0.000 -4.785 0.000) 4.785 2.167 ( 0.000 0.580 0.000) 0.580 2.198 ( 0.000 -5.067 0.000) 5.067 2.284 ( 0.000 0.352 0.000) 0.352 2.311 ( 0.000 -0.423 0.000) 0.423 2.330 ( 0.000 1.613 0.000) 1.613 2.350 ( 0.000 -1.776 0.000) 1.776 2.416 ( 0.000 -0.623 0.000) 0.623 2.467 ( 0.000 2.014 0.000) 2.014 2.477 ( 0.000 -0.255 0.000) 0.255 2.616 ( 0.000 -7.858 0.000) 7.858 2.652 ( 0.000 -0.438 0.000) 0.438 2.677 ( 0.000 0.874 0.000) 0.874 2.746 ( 0.000 1.236 0.000) 1.236 2.762 ( 0.000 -1.631 0.000) 1.631 2.865 ( 0.000 1.317 0.000) 1.317 2.938 ( 0.000 3.256 0.000) 3.256 2.950 ( 0.000 -1.147 0.000) 1.147 3.110 ( 0.000 0.741 0.000) 0.741 3.123 ( 0.000 -0.058 0.000) 0.058 3.187 ( 0.000 3.518 0.000) 3.518 3.658 ( 0.000 -4.297 0.000) 4.297 3.753 ( 0.000 -5.824 0.000) 5.824 3.774 ( 0.000 -1.532 0.000) 1.532 4.085 ( 0.000 0.422 0.000) 0.422 4.119 ( 0.000 -8.294 0.000) 8.294 4.440 ( 0.000 -0.313 0.000) 0.313 4.581 ( 0.000 -5.045 0.000) 5.045 4.690 ( 0.000 10.467 0.000) 10.467 4.785 ( 0.000 4.111 0.000) 4.111 4.801 ( 0.000 2.815 0.000) 2.815 4.937 ( 0.000 0.029 0.000) 0.029 5.337 ( 0.000 -4.165 0.000) 4.165 5.383 ( 0.000 -3.437 0.000) 3.437 5.428 ( 0.000 -2.300 0.000) 2.300 5.688 ( 0.000 0.171 0.000) 0.171 5.713 ( 0.000 3.615 0.000) 3.615 5.794 ( 0.000 3.110 0.000) 3.110 6.232 ( 0.000 -1.175 0.000) 1.175 6.725 ( 0.000 -0.042 0.000) 0.042 6.803 ( 0.000 -7.680 0.000) 7.680 7.106 ( 0.000 3.524 0.000) 3.524 7.293 ( 0.000 11.802 0.000) 11.802 8.308 ( 0.000 -3.811 0.000) 3.811 11.729 ( 0.000 -0.781 0.000) 0.781 11.733 ( 0.000 -1.528 0.000) 1.528 11.810 ( 0.000 0.257 0.000) 0.257 11.877 ( 0.000 -1.582 0.000) 1.582 12.952 ( 0.000 -0.378 0.000) 0.378 13.425 ( 0.000 -6.686 0.000) 6.686 13.830 ( 0.000 1.814 0.000) 1.814 13.982 ( 0.000 -0.110 0.000) 0.110 14.973 ( 0.000 1.476 0.000) 1.476 14.999 ( 0.000 2.549 0.000) 2.549 15.481 ( 0.000 3.577 0.000) 3.577 15.999 ( 0.000 -0.563 0.000) 0.563 16.157 ( 0.000 -1.249 0.000) 1.249 16.293 ( 0.000 -6.648 0.000) 6.648 16.418 ( 0.000 2.276 0.000) 2.276 16.485 ( 0.000 2.613 0.000) 2.613 ======================= Grid point 8 (6/56) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( 9.738 6.925 1.329) 12.023 0.444 ( 11.724 9.849 -1.010) 15.345 0.741 ( 12.920 13.038 7.367) 19.778 0.955 ( -6.634 1.285 4.008) 7.856 1.080 ( 5.072 2.948 -1.627) 6.088 1.146 ( -5.944 2.743 -2.055) 6.861 1.190 ( -5.072 3.110 -1.069) 6.045 1.219 ( 1.429 2.000 -1.670) 2.972 1.277 ( 1.708 1.213 1.305) 2.468 1.338 ( -2.131 0.420 -0.718) 2.287 1.346 ( 0.132 1.104 -1.016) 1.506 1.391 ( 3.145 0.818 2.508) 4.105 1.431 ( 2.778 2.083 -0.280) 3.483 1.495 ( -2.141 0.132 -3.912) 4.461 1.521 ( 0.566 2.871 -1.361) 3.228 1.607 ( 1.794 1.689 0.288) 2.481 1.665 ( 6.646 -2.148 2.337) 7.365 1.731 ( -1.954 -1.839 -1.654) 3.152 1.780 ( -2.728 -0.424 -0.087) 2.762 1.800 ( 3.077 -1.241 2.422) 4.108 1.870 ( -1.123 0.912 -1.735) 2.259 1.931 ( -0.051 0.172 2.356) 2.363 1.945 ( 1.691 2.968 1.764) 3.845 2.020 ( 0.249 -2.443 -0.138) 2.460 2.116 ( -3.445 -1.234 2.330) 4.338 2.127 ( -2.723 -6.025 -1.435) 6.765 2.220 ( -2.282 -0.886 1.151) 2.705 2.276 ( -2.257 -0.355 -0.280) 2.302 2.289 ( -0.308 0.126 -1.838) 1.868 2.304 ( -1.747 1.051 0.251) 2.054 2.347 ( 0.911 -0.717 -0.424) 1.234 2.395 ( -1.086 -0.232 1.713) 2.041 2.435 ( -0.134 0.324 -2.704) 2.727 2.541 ( 0.971 -1.930 -6.047) 6.421 2.588 ( -1.633 -0.268 -1.382) 2.156 2.606 ( -1.549 0.309 -3.478) 3.820 2.643 ( -2.876 -0.156 1.101) 3.083 2.765 ( -0.316 -1.940 0.082) 1.967 2.812 ( 4.373 -2.119 2.518) 5.473 2.865 ( 0.079 -0.993 -3.435) 3.577 2.910 ( -1.665 -0.449 -0.647) 1.842 3.006 ( 3.156 0.409 5.911) 6.714 3.087 ( -1.187 0.202 3.064) 3.292 3.164 ( 0.304 1.576 0.713) 1.756 3.183 ( 2.056 0.072 0.299) 2.079 3.495 ( -9.273 6.334 -1.932) 11.395 3.751 ( -0.453 -6.809 1.371) 6.960 3.769 ( 1.633 -1.726 1.700) 2.921 3.963 ( -4.211 -3.126 0.895) 5.320 4.086 ( -3.135 1.578 0.895) 3.622 4.384 ( -5.533 0.755 -2.070) 5.955 4.536 ( -5.745 -1.303 -6.662) 8.893 4.617 ( -2.261 3.409 3.286) 5.247 4.686 ( -6.482 1.165 -1.791) 6.825 4.801 ( -2.752 5.342 3.678) 7.046 4.945 ( 1.095 0.531 0.092) 1.221 5.226 ( -4.716 -0.913 -3.740) 6.088 5.345 ( -4.387 -2.362 -2.223) 5.456 5.448 ( -2.307 -0.037 3.767) 4.417 5.727 ( 5.364 -0.269 -2.746) 6.032 5.839 ( 8.592 2.936 2.115) 9.323 6.099 ( 15.517 -19.524 9.630) 26.734 6.206 ( -6.065 0.727 -11.020) 12.600 6.737 ( -0.365 -6.187 -1.336) 6.340 6.878 ( 6.427 -1.870 3.884) 7.739 7.197 ( 6.420 3.578 8.255) 11.053 7.325 ( 3.633 7.830 -4.507) 9.738 8.035 ( -12.932 13.460 -3.564) 19.003 11.707 ( -0.803 -0.885 0.380) 1.254 11.722 ( 0.302 -1.439 -1.495) 2.097 11.889 ( 5.146 -1.776 0.172) 5.446 12.004 ( 5.265 -2.115 -11.156) 12.516 13.094 ( 3.281 -5.222 1.039) 6.254 13.523 ( 8.033 -21.244 11.485) 25.451 13.842 ( 1.101 1.917 -0.126) 2.214 14.036 ( 3.998 -0.829 -0.169) 4.087 14.976 ( 0.300 1.146 0.215) 1.204 14.997 ( -0.204 2.319 0.388) 2.360 15.471 ( -0.858 3.179 -0.490) 3.329 15.708 ( -17.562 17.220 -4.974) 25.093 16.056 ( -1.480 0.211 1.197) 1.915 16.286 ( -2.490 -5.462 5.721) 8.293 16.425 ( 1.131 1.443 -2.784) 3.333 16.545 ( 1.842 1.835 9.153) 9.515 ======================= Grid point 9 (7/56) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 6.376 7.261 2.905) 10.090 0.715 ( 13.591 4.532 -3.678) 14.791 0.836 ( 2.103 -1.039 4.155) 4.771 0.922 ( -3.535 1.497 0.286) 3.850 1.075 ( -2.299 2.429 -0.478) 3.379 1.103 ( -1.832 2.266 2.965) 4.158 1.207 ( 5.020 3.058 -1.985) 6.204 1.228 ( -1.856 0.824 0.814) 2.188 1.248 ( -5.673 0.668 -4.006) 6.977 1.297 ( 0.974 5.397 1.378) 5.655 1.383 ( 1.671 0.441 2.209) 2.805 1.453 ( 4.007 2.200 -3.889) 6.001 1.488 ( 2.775 0.299 -0.343) 2.812 1.494 ( 5.345 4.826 2.532) 7.634 1.529 ( 1.320 4.451 -2.346) 5.201 1.625 ( 0.027 0.886 -1.309) 1.581 1.664 ( -3.357 -1.108 -0.142) 3.538 1.773 ( 4.174 -1.701 -0.981) 4.613 1.799 ( -0.754 -1.892 4.217) 4.684 1.855 ( 1.975 -0.298 -2.321) 3.062 1.869 ( 1.061 -2.178 2.943) 3.812 1.914 ( -3.251 -0.403 5.116) 6.074 1.977 ( -0.486 -1.190 2.920) 3.190 2.005 ( -0.307 -3.323 -2.573) 4.214 2.022 ( 0.353 -0.648 1.476) 1.650 2.092 ( -0.651 -0.433 -0.960) 1.238 2.143 ( -6.725 1.670 -1.512) 7.092 2.218 ( -2.942 1.454 -2.357) 4.040 2.245 ( -4.776 1.659 0.839) 5.125 2.257 ( -0.630 -1.799 -0.400) 1.947 2.346 ( -3.566 -0.099 -1.855) 4.021 2.381 ( 2.033 1.505 -0.242) 2.541 2.463 ( 1.396 -2.112 -0.796) 2.654 2.481 ( -2.347 -0.679 -3.104) 3.950 2.546 ( -3.252 -1.489 0.225) 3.583 2.583 ( 0.494 1.970 -0.692) 2.146 2.638 ( 2.160 -1.837 1.974) 3.455 2.748 ( -1.000 -1.119 -0.866) 1.733 2.822 ( -2.783 0.261 -5.104) 5.819 2.860 ( -1.252 -2.817 1.058) 3.260 2.923 ( 3.333 -1.691 -3.270) 4.966 3.035 ( -0.997 -0.040 0.112) 1.004 3.111 ( 2.194 -0.573 8.420) 8.720 3.180 ( 1.880 -0.053 0.218) 1.893 3.251 ( 3.567 -2.452 0.734) 4.390 3.385 ( -2.775 2.359 0.012) 3.643 3.730 ( -1.847 -6.855 1.285) 7.215 3.807 ( 0.741 -3.656 1.026) 3.869 3.897 ( -2.758 -3.132 -0.349) 4.188 4.029 ( -1.778 4.853 1.954) 5.526 4.225 ( -6.876 2.951 -1.090) 7.562 4.416 ( -4.800 -5.293 -4.886) 8.656 4.552 ( -1.924 1.670 0.754) 2.657 4.615 ( -1.878 -1.132 -0.400) 2.229 4.719 ( -4.595 4.970 1.015) 6.845 5.000 ( 3.430 0.744 1.807) 3.948 5.126 ( -6.724 0.152 -2.067) 7.036 5.222 ( -1.012 4.762 -0.332) 4.880 5.475 ( 2.531 -0.205 2.777) 3.763 5.780 ( -4.904 -7.348 0.196) 8.837 5.958 ( 2.948 2.720 0.475) 4.039 6.092 ( 1.507 0.704 -9.029) 9.181 6.358 ( 8.574 -11.804 4.546) 15.281 6.661 ( -4.763 -1.758 -0.654) 5.119 7.011 ( 4.207 -1.491 0.367) 4.478 7.323 ( 3.920 10.139 7.225) 13.052 7.413 ( 4.526 -1.772 -3.774) 6.154 7.879 ( -3.333 11.652 -1.370) 12.196 11.712 ( 0.771 -0.599 0.660) 1.179 11.731 ( 0.505 -1.443 -0.910) 1.779 11.973 ( 2.651 -1.419 -0.767) 3.104 12.043 ( 1.111 0.074 -3.803) 3.963 13.089 ( -1.144 -1.282 -2.112) 2.723 13.681 ( 4.587 -23.141 5.601) 24.247 13.867 ( 1.087 2.150 0.248) 2.422 14.106 ( 2.429 -0.522 -0.012) 2.484 14.986 ( 0.468 0.780 0.587) 1.083 14.994 ( -0.106 1.774 -0.014) 1.777 15.441 ( -2.662 7.156 -1.078) 7.711 15.480 ( -4.374 8.426 -0.004) 9.493 16.036 ( -0.788 0.094 1.367) 1.580 16.241 ( -1.994 -4.531 1.294) 5.117 16.448 ( 1.225 1.919 -2.296) 3.233 16.585 ( 0.888 1.607 4.540) 4.898 ======================= Grid point 10 (8/56) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 0.000 9.069 0.000) 9.069 0.828 ( -0.000 1.286 0.000) 1.286 0.953 ( 0.000 -2.538 -0.000) 2.538 0.993 ( -0.000 0.542 0.000) 0.542 1.018 ( -0.000 2.201 -0.000) 2.201 1.040 ( -0.943 2.249 -1.979) 3.141 1.040 ( 0.943 2.264 1.979) 3.151 1.205 ( -0.000 1.847 0.000) 1.847 1.310 ( -0.000 1.817 0.000) 1.817 1.317 ( 0.000 6.399 -0.000) 6.399 1.397 ( -0.000 -2.813 -0.000) 2.813 1.476 ( 0.000 -0.580 -0.000) 0.580 1.511 ( 0.000 2.210 0.000) 2.210 1.548 ( 0.000 2.905 -0.000) 2.905 1.621 ( -0.000 1.129 0.000) 1.129 1.624 ( 0.000 0.157 -0.000) 0.157 1.702 ( -0.000 5.105 0.000) 5.105 1.708 ( 0.000 2.681 -0.000) 2.681 1.828 ( -0.000 -0.367 -0.000) 0.367 1.855 ( 0.000 -3.145 0.000) 3.145 1.873 ( -0.000 -1.507 0.000) 1.507 1.907 ( -0.000 -3.900 -0.000) 3.900 1.969 ( 0.000 1.466 0.000) 1.466 1.997 ( 0.000 -2.593 -0.000) 2.593 2.043 ( -0.000 0.642 0.000) 0.642 2.072 ( 0.000 -0.327 0.000) 0.327 2.111 ( -0.000 -1.212 0.000) 1.212 2.121 ( 0.000 2.127 -0.000) 2.127 2.181 ( -0.000 4.001 -0.000) 4.001 2.243 ( 0.000 -2.718 -0.000) 2.718 2.305 ( -0.000 -0.544 0.000) 0.544 2.402 ( 0.000 0.369 -0.000) 0.369 2.461 ( 0.000 -0.892 0.000) 0.892 2.464 ( 0.000 -1.616 -0.000) 1.616 2.524 ( -0.000 -0.961 0.000) 0.961 2.596 ( 0.000 1.865 0.000) 1.865 2.686 ( -0.000 -3.904 -0.000) 3.904 2.734 ( 0.000 -1.722 0.000) 1.722 2.755 ( 0.000 2.594 -0.000) 2.594 2.850 ( 0.000 -4.212 -0.000) 4.212 2.957 ( 0.000 0.984 -0.000) 0.984 3.021 ( 0.000 -0.260 0.000) 0.260 3.145 ( 0.000 -0.998 0.000) 0.998 3.212 ( -0.000 -2.138 -0.000) 2.138 3.307 ( 0.000 -2.684 -0.000) 2.684 3.344 ( -0.000 0.179 0.000) 0.179 3.704 ( -0.000 -6.542 -0.000) 6.542 3.803 ( 0.000 -3.764 0.000) 3.764 3.862 ( 0.000 -2.355 0.000) 2.355 4.022 ( 0.000 5.138 -0.000) 5.138 4.151 ( 0.000 2.935 0.000) 2.935 4.360 ( -0.000 -7.276 -0.000) 7.276 4.539 ( 0.000 0.893 0.000) 0.893 4.590 ( 0.000 -1.699 0.000) 1.699 4.664 ( -0.000 5.656 0.000) 5.656 5.038 ( 0.000 -0.011 -0.000) 0.011 5.044 ( 0.000 0.329 0.000) 0.329 5.244 ( -0.000 8.548 -0.000) 8.548 5.509 ( 0.000 -0.197 0.000) 0.197 5.673 ( -0.000 -4.225 -0.000) 4.225 5.999 ( 0.000 -0.979 -0.000) 0.979 6.115 ( 0.000 -2.442 0.000) 2.442 6.468 ( 0.000 -7.677 0.000) 7.677 6.592 ( 0.000 -0.536 0.000) 0.536 7.052 ( 0.000 -0.591 -0.000) 0.591 7.375 ( 0.000 12.603 -0.000) 12.603 7.459 ( 0.000 -4.593 0.000) 4.593 7.848 ( -0.000 9.634 0.000) 9.634 11.724 ( 0.000 -0.457 0.000) 0.457 11.735 ( 0.000 -1.432 0.000) 1.432 11.997 ( 0.000 -0.100 0.000) 0.100 12.052 ( 0.000 -0.821 -0.000) 0.821 13.074 ( 0.000 -0.846 0.000) 0.846 13.733 ( -0.000 -21.260 0.000) 21.260 13.879 ( 0.000 2.308 -0.000) 2.308 14.131 ( -0.000 -0.063 -0.000) 0.063 14.992 ( -0.000 1.628 -0.000) 1.628 14.993 ( 0.000 0.635 0.000) 0.635 15.397 ( 0.000 10.724 -0.000) 10.724 15.454 ( 0.000 1.320 0.000) 1.320 16.029 ( 0.000 0.195 -0.000) 0.195 16.221 ( 0.000 -4.313 0.000) 4.313 16.459 ( 0.000 2.274 -0.000) 2.274 16.599 ( 0.000 1.379 0.000) 1.379 ======================= Grid point 14 (9/56) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 0.000 13.274 0.000) 13.274 0.598 ( 0.000 13.435 0.000) 13.435 0.979 ( 0.000 18.920 0.000) 18.920 1.070 ( 0.000 0.013 0.000) 0.013 1.098 ( 0.000 1.603 0.000) 1.603 1.212 ( 0.000 -5.115 0.000) 5.115 1.251 ( 0.000 3.077 0.000) 3.077 1.253 ( 0.000 -2.176 0.000) 2.176 1.277 ( 0.000 3.399 0.000) 3.399 1.287 ( 0.000 1.043 0.000) 1.043 1.364 ( 0.000 1.821 0.000) 1.821 1.421 ( 0.000 4.277 0.000) 4.277 1.461 ( 0.000 -2.805 0.000) 2.805 1.497 ( 0.000 2.321 0.000) 2.321 1.520 ( 0.000 -2.505 0.000) 2.505 1.574 ( 0.000 2.419 0.000) 2.419 1.666 ( 0.000 5.621 0.000) 5.621 1.743 ( 0.000 0.776 0.000) 0.776 1.753 ( 0.000 -1.094 0.000) 1.094 1.859 ( 0.000 -3.405 0.000) 3.405 1.898 ( 0.000 2.506 0.000) 2.506 1.919 ( 0.000 -2.899 0.000) 2.899 1.983 ( 0.000 0.312 0.000) 0.312 2.025 ( 0.000 3.771 0.000) 3.771 2.037 ( 0.000 0.083 0.000) 0.083 2.102 ( 0.000 -4.458 0.000) 4.458 2.168 ( 0.000 -0.867 0.000) 0.867 2.270 ( 0.000 0.437 0.000) 0.437 2.271 ( 0.000 -3.353 0.000) 3.353 2.302 ( 0.000 -2.671 0.000) 2.671 2.357 ( 0.000 0.710 0.000) 0.710 2.412 ( 0.000 -10.707 0.000) 10.707 2.425 ( 0.000 0.065 0.000) 0.065 2.465 ( 0.000 -2.219 0.000) 2.219 2.513 ( 0.000 3.316 0.000) 3.316 2.657 ( 0.000 0.720 0.000) 0.720 2.701 ( 0.000 1.367 0.000) 1.367 2.750 ( 0.000 -0.133 0.000) 0.133 2.778 ( 0.000 2.145 0.000) 2.145 2.904 ( 0.000 2.077 0.000) 2.077 2.940 ( 0.000 0.277 0.000) 0.277 2.984 ( 0.000 1.255 0.000) 1.255 3.120 ( 0.000 0.281 0.000) 0.281 3.123 ( 0.000 0.577 0.000) 0.577 3.242 ( 0.000 1.819 0.000) 1.819 3.575 ( 0.000 -4.434 0.000) 4.434 3.661 ( 0.000 -3.384 0.000) 3.384 3.706 ( 0.000 -4.726 0.000) 4.726 3.960 ( 0.000 -7.335 0.000) 7.335 3.999 ( 0.000 -7.314 0.000) 7.314 4.438 ( 0.000 0.438 0.000) 0.438 4.532 ( 0.000 -0.828 0.000) 0.828 4.803 ( 0.000 -0.364 0.000) 0.364 4.815 ( 0.000 -3.528 0.000) 3.528 4.942 ( 0.000 11.301 0.000) 11.301 4.991 ( 0.000 8.051 0.000) 8.051 5.294 ( 0.000 0.763 0.000) 0.763 5.323 ( 0.000 -2.757 0.000) 2.757 5.384 ( 0.000 -1.957 0.000) 1.957 5.675 ( 0.000 -2.064 0.000) 2.064 5.769 ( 0.000 1.766 0.000) 1.766 5.835 ( 0.000 0.754 0.000) 0.754 6.226 ( 0.000 1.472 0.000) 1.472 6.641 ( 0.000 -8.703 0.000) 8.703 6.783 ( 0.000 5.743 0.000) 5.743 7.134 ( 0.000 -1.006 0.000) 1.006 7.552 ( 0.000 13.727 0.000) 13.727 8.200 ( 0.000 -7.192 0.000) 7.192 11.704 ( 0.000 -1.275 0.000) 1.275 11.710 ( 0.000 -1.061 0.000) 1.061 11.809 ( 0.000 -0.293 0.000) 0.293 11.840 ( 0.000 -1.904 0.000) 1.904 12.954 ( 0.000 0.974 0.000) 0.974 13.266 ( 0.000 -8.679 0.000) 8.679 13.874 ( 0.000 2.471 0.000) 2.471 13.976 ( 0.000 -0.627 0.000) 0.627 15.010 ( 0.000 2.158 0.000) 2.158 15.049 ( 0.000 2.075 0.000) 2.075 15.582 ( 0.000 6.600 0.000) 6.600 15.976 ( 0.000 -2.255 0.000) 2.255 16.128 ( 0.000 -1.620 0.000) 1.620 16.161 ( 0.000 -6.083 0.000) 6.083 16.468 ( 0.000 2.441 0.000) 2.441 16.519 ( 0.000 0.920 0.000) 0.920 ======================= Grid point 15 (10/56) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 4.972 10.825 -1.166) 11.969 0.663 ( 6.457 11.315 1.707) 13.139 0.960 ( -6.718 4.642 3.286) 8.802 1.026 ( 0.876 7.598 -0.078) 7.649 1.140 ( 5.903 2.665 0.148) 6.479 1.155 ( -4.178 -1.095 0.888) 4.409 1.229 ( -3.117 -0.760 -1.782) 3.670 1.280 ( 0.560 1.759 0.226) 1.860 1.296 ( 0.808 3.500 -2.297) 4.264 1.319 ( 1.352 -1.382 0.116) 1.937 1.398 ( -0.945 3.246 -2.157) 4.010 1.417 ( 3.634 0.768 -1.342) 3.949 1.465 ( 3.198 -0.199 -2.554) 4.097 1.516 ( 2.207 3.146 2.560) 4.618 1.556 ( 2.989 1.323 -0.794) 3.364 1.642 ( 5.376 1.398 1.248) 5.693 1.688 ( 0.972 4.414 3.255) 5.570 1.723 ( -4.134 1.690 1.693) 4.776 1.760 ( -0.091 -1.392 -0.680) 1.552 1.803 ( -0.524 -1.126 -0.577) 1.369 1.859 ( -1.282 0.696 0.046) 1.460 1.916 ( -1.493 -2.599 0.868) 3.121 1.967 ( -2.111 -0.775 -0.533) 2.311 2.019 ( -3.230 -0.492 -0.709) 3.344 2.046 ( 1.678 1.532 1.619) 2.790 2.088 ( -2.661 -1.511 3.067) 4.333 2.175 ( 0.423 -4.476 1.525) 4.747 2.250 ( -0.806 -0.327 0.022) 0.870 2.258 ( -0.025 -2.597 0.909) 2.752 2.312 ( 2.116 -0.629 0.954) 2.405 2.337 ( -5.441 -1.440 -0.715) 5.674 2.372 ( -0.149 -0.930 -2.093) 2.295 2.445 ( 0.394 -1.320 -1.448) 1.999 2.490 ( 0.778 -2.724 -6.335) 6.939 2.537 ( 2.939 -2.745 -0.159) 4.024 2.622 ( -0.975 0.551 -5.082) 5.204 2.668 ( -3.714 3.588 -0.041) 5.164 2.746 ( -0.415 -0.140 1.982) 2.030 2.796 ( 1.043 0.241 1.988) 2.258 2.883 ( -3.024 0.655 -0.094) 3.095 2.927 ( -0.085 2.587 -4.023) 4.784 3.016 ( 2.114 0.516 6.244) 6.613 3.084 ( -1.658 -0.481 1.273) 2.145 3.164 ( 1.759 -0.152 1.132) 2.097 3.202 ( -2.911 0.497 0.561) 3.006 3.502 ( -6.137 -3.504 -2.315) 7.437 3.640 ( -1.245 -4.070 0.009) 4.256 3.725 ( 1.195 -3.467 0.451) 3.694 3.891 ( -3.792 -3.202 2.099) 5.389 4.019 ( 0.570 -6.900 1.163) 7.021 4.405 ( -2.718 1.592 -1.393) 3.444 4.523 ( -3.801 0.590 0.093) 3.848 4.685 ( -7.825 0.632 -4.960) 9.287 4.698 ( -8.343 0.069 0.852) 8.386 4.892 ( -2.564 2.871 0.263) 3.858 5.004 ( -1.109 7.271 1.801) 7.572 5.219 ( -1.443 0.146 0.530) 1.544 5.326 ( -2.745 0.568 -2.880) 4.019 5.414 ( 1.727 -3.077 5.438) 6.483 5.654 ( -6.183 -7.367 1.204) 9.693 5.871 ( 10.123 1.123 -0.552) 10.200 5.943 ( 11.857 0.532 1.502) 11.963 6.238 ( -2.283 2.743 -7.330) 8.152 6.613 ( 0.175 -6.652 -2.782) 7.213 6.892 ( 7.403 3.700 3.522) 8.995 7.210 ( 5.962 -1.526 3.719) 7.190 7.561 ( 0.973 13.299 0.011) 13.334 8.117 ( -5.991 -2.304 -1.854) 6.681 11.691 ( -0.490 -0.716 -0.004) 0.867 11.697 ( 0.141 -1.049 -1.085) 1.516 11.864 ( 4.307 -0.896 1.163) 4.551 11.941 ( 6.059 -3.640 -3.485) 7.881 13.012 ( 3.926 -2.355 1.849) 4.938 13.248 ( -0.648 -9.820 2.061) 10.055 13.889 ( 1.394 2.734 0.051) 3.069 14.015 ( 3.202 -1.287 -0.203) 3.457 15.007 ( -0.151 1.882 -0.302) 1.912 15.043 ( -0.606 1.894 0.538) 2.060 15.561 ( -1.838 5.891 -0.717) 6.212 15.864 ( -9.865 1.392 -4.385) 10.885 16.061 ( -1.810 0.297 -0.592) 1.927 16.176 ( -1.166 -5.154 4.853) 7.175 16.464 ( 0.756 2.413 -1.375) 2.879 16.565 ( 2.297 0.116 3.754) 4.403 ======================= Grid point 16 (11/56) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 9.131 6.152 1.984) 11.187 0.824 ( 3.605 6.556 -2.666) 7.942 0.887 ( 4.842 5.613 4.106) 8.474 0.992 ( -4.016 4.699 1.226) 6.302 1.103 ( -4.372 -1.071 4.072) 6.070 1.152 ( -2.000 4.443 -3.459) 5.975 1.218 ( -1.704 -1.863 -3.395) 4.231 1.272 ( -0.863 3.386 -0.327) 3.510 1.299 ( 3.815 4.577 -4.057) 7.209 1.343 ( 1.487 -1.655 1.626) 2.756 1.399 ( -0.259 0.433 0.467) 0.687 1.476 ( -2.008 2.109 -3.895) 4.863 1.501 ( 4.003 -0.232 -2.703) 4.836 1.578 ( 1.329 2.866 0.087) 3.161 1.603 ( 1.456 -0.863 1.050) 1.992 1.650 ( -0.858 1.683 1.279) 2.282 1.696 ( 1.473 5.461 2.879) 6.347 1.758 ( 4.318 0.943 -1.572) 4.691 1.785 ( 1.253 0.082 2.355) 2.669 1.821 ( -0.222 -3.981 0.266) 3.996 1.855 ( 0.603 0.554 0.842) 1.174 1.890 ( -6.459 -1.406 3.056) 7.283 1.924 ( 4.080 -1.961 1.579) 4.794 1.957 ( 0.316 -0.056 1.957) 1.983 2.024 ( -0.213 -0.062 2.204) 2.215 2.090 ( -3.608 -1.448 1.856) 4.308 2.147 ( -0.629 -2.625 -0.761) 2.805 2.175 ( -5.123 0.404 -1.832) 5.455 2.260 ( -1.998 -0.564 -1.349) 2.476 2.288 ( 1.843 0.354 -0.663) 1.991 2.354 ( -0.978 1.551 -0.673) 1.953 2.378 ( 1.455 -2.146 1.219) 2.865 2.431 ( -2.247 -0.891 -2.658) 3.593 2.466 ( 0.412 0.068 -1.874) 1.919 2.531 ( -4.535 1.528 -1.052) 4.900 2.580 ( 0.280 -2.335 -1.001) 2.556 2.640 ( 0.152 1.259 -1.870) 2.259 2.730 ( -1.079 -0.254 0.591) 1.256 2.798 ( -2.878 -2.365 0.688) 3.788 2.868 ( 1.407 -0.666 -2.983) 3.364 2.890 ( 0.207 2.083 -2.806) 3.501 3.032 ( -1.315 -0.228 -0.060) 1.336 3.096 ( 1.544 -1.098 7.724) 7.953 3.160 ( -0.410 -2.121 -0.178) 2.168 3.212 ( 2.359 -1.086 1.329) 2.917 3.377 ( -4.842 -2.872 -1.039) 5.724 3.608 ( -1.953 -4.980 -0.306) 5.358 3.725 ( -1.441 -5.392 -0.800) 5.639 3.841 ( -1.485 -1.133 2.163) 2.857 4.036 ( 0.909 -4.497 1.958) 4.989 4.309 ( -6.000 4.837 -1.139) 7.791 4.370 ( -6.791 2.222 -2.150) 7.461 4.555 ( -3.306 -1.601 -0.599) 3.722 4.594 ( -3.057 -1.029 -0.711) 3.303 4.830 ( -3.053 5.223 0.056) 6.050 5.006 ( 1.368 0.516 1.001) 1.772 5.141 ( -5.862 1.066 -2.439) 6.438 5.319 ( 3.424 4.598 1.617) 5.957 5.469 ( 2.884 -0.691 5.086) 5.888 5.581 ( -3.366 -11.470 2.411) 12.195 6.004 ( 0.731 1.419 -0.034) 1.596 6.055 ( -0.260 -3.375 -8.801) 9.429 6.278 ( 8.902 3.207 0.965) 9.511 6.600 ( -1.533 -4.118 -1.304) 4.583 7.043 ( 5.794 4.274 0.700) 7.234 7.335 ( 4.396 -2.736 3.662) 6.342 7.593 ( 1.896 12.254 0.023) 12.400 8.009 ( -3.609 1.658 -1.409) 4.214 11.698 ( 0.841 -0.635 0.270) 1.088 11.706 ( 0.680 -0.917 -0.835) 1.415 11.948 ( 3.167 -1.226 0.875) 3.507 12.012 ( 1.441 -2.885 -2.635) 4.165 13.055 ( 0.264 -1.936 -1.180) 2.282 13.292 ( 3.455 -15.116 3.469) 15.889 13.921 ( 1.397 3.159 0.095) 3.456 14.079 ( 2.542 -1.894 -0.157) 3.174 15.007 ( 0.181 1.333 -0.117) 1.350 15.031 ( -0.557 1.541 0.365) 1.678 15.518 ( -1.700 4.356 -0.517) 4.704 15.660 ( -7.675 5.508 -2.020) 9.660 16.041 ( -0.597 0.427 0.760) 1.056 16.150 ( -1.496 -4.306 1.631) 4.841 16.489 ( 1.494 2.352 -1.387) 3.112 16.605 ( 0.993 0.077 2.654) 2.835 ======================= Grid point 17 (12/56) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 0.000 11.054 0.000) 11.054 0.843 ( -0.000 -0.312 -0.000) 0.312 0.935 ( 0.000 3.079 0.000) 3.079 1.011 ( 0.000 1.474 -0.000) 1.474 1.082 ( -0.000 2.487 -0.000) 2.487 1.095 ( 0.000 3.241 0.000) 3.241 1.137 ( 0.000 7.286 0.000) 7.286 1.275 ( 0.000 5.546 0.000) 5.546 1.312 ( -0.000 -3.018 0.000) 3.018 1.361 ( 0.000 -1.040 -0.000) 1.040 1.407 ( -0.000 1.516 -0.000) 1.516 1.463 ( 0.000 1.145 0.000) 1.145 1.558 ( 0.000 -1.705 0.000) 1.705 1.571 ( 0.000 4.822 -0.000) 4.822 1.598 ( 0.000 -3.546 -0.000) 3.546 1.651 ( 0.000 0.863 -0.000) 0.863 1.774 ( -0.000 2.975 -0.000) 2.975 1.784 ( -0.000 -3.312 0.000) 3.312 1.786 ( 0.000 -3.187 -0.000) 3.187 1.805 ( 0.000 1.763 0.000) 1.763 1.840 ( -0.000 -1.108 0.000) 1.108 1.865 ( 0.000 -0.376 -0.000) 0.376 1.954 ( 0.000 -1.276 0.000) 1.276 1.961 ( -0.000 -1.243 -0.000) 1.243 2.039 ( -0.000 -1.213 0.000) 1.213 2.084 ( -0.000 2.118 -0.000) 2.118 2.139 ( -0.000 2.151 0.000) 2.151 2.158 ( 0.000 -0.066 -0.000) 0.066 2.204 ( -0.000 -0.118 -0.000) 0.118 2.204 ( 0.000 1.067 0.000) 1.067 2.378 ( -0.000 5.708 -0.000) 5.708 2.409 ( 0.000 -0.837 0.000) 0.837 2.413 ( -0.000 -1.952 -0.000) 1.952 2.426 ( 0.000 0.691 0.000) 0.691 2.504 ( 0.000 -1.046 -0.000) 1.046 2.593 ( 0.000 -5.044 -0.000) 5.044 2.642 ( 0.000 1.743 0.000) 1.743 2.712 ( 0.000 -0.749 -0.000) 0.749 2.762 ( 0.000 -2.837 -0.000) 2.837 2.827 ( 0.000 3.057 -0.000) 3.057 2.953 ( 0.000 -1.660 -0.000) 1.660 3.005 ( 0.000 -1.314 0.000) 1.314 3.123 ( 0.000 -1.044 0.000) 1.044 3.161 ( 0.000 -3.080 -0.000) 3.080 3.252 ( 0.000 -2.251 -0.000) 2.251 3.315 ( -0.000 -2.981 0.000) 2.981 3.579 ( -0.000 -5.497 -0.000) 5.497 3.696 ( 0.000 -6.775 0.000) 6.775 3.830 ( 0.000 -0.064 0.000) 0.064 4.051 ( 0.000 -4.113 -0.000) 4.113 4.238 ( 0.000 5.123 0.000) 5.123 4.292 ( -0.000 2.879 -0.000) 2.879 4.538 ( 0.000 -3.573 0.000) 3.573 4.548 ( -0.000 -0.133 -0.000) 0.133 4.795 ( 0.000 7.023 0.000) 7.023 5.027 ( 0.000 -0.591 -0.000) 0.591 5.069 ( 0.000 1.485 -0.000) 1.485 5.398 ( -0.000 6.462 -0.000) 6.462 5.502 ( 0.000 -4.650 0.000) 4.650 5.522 ( 0.000 -6.737 -0.000) 6.737 5.972 ( 0.000 -0.765 -0.000) 0.765 6.062 ( 0.000 -2.671 0.000) 2.671 6.399 ( 0.000 0.746 0.000) 0.746 6.568 ( 0.000 -1.935 0.000) 1.935 7.106 ( 0.000 5.135 -0.000) 5.135 7.385 ( 0.000 -3.433 -0.000) 3.433 7.618 ( 0.000 11.675 0.000) 11.675 7.969 ( -0.000 2.391 0.000) 2.391 11.711 ( -0.000 -0.890 -0.000) 0.890 11.713 ( 0.000 -0.571 0.000) 0.571 11.987 ( 0.000 -0.978 0.000) 0.978 12.015 ( -0.000 -2.638 -0.000) 2.638 13.053 ( 0.000 -1.189 0.000) 1.189 13.339 ( -0.000 -16.800 0.000) 16.800 13.937 ( 0.000 3.352 -0.000) 3.352 14.107 ( 0.000 -2.003 -0.000) 2.003 15.010 ( -0.000 1.041 -0.000) 1.041 15.024 ( 0.000 1.389 0.000) 1.389 15.501 ( 0.000 3.386 0.000) 3.386 15.573 ( -0.000 6.135 -0.000) 6.135 16.036 ( 0.000 0.471 -0.000) 0.471 16.134 ( 0.000 -3.997 0.000) 3.997 16.505 ( 0.000 2.434 -0.000) 2.434 16.617 ( -0.000 0.150 0.000) 0.150 ======================= Grid point 21 (13/56) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 0.000 13.528 0.000) 13.528 0.837 ( 0.000 11.046 0.000) 11.046 0.965 ( 0.000 -9.382 0.000) 9.382 1.042 ( 0.000 -9.789 0.000) 9.789 1.142 ( 0.000 2.523 0.000) 2.523 1.174 ( 0.000 -0.288 0.000) 0.288 1.308 ( 0.000 2.134 0.000) 2.134 1.312 ( 0.000 1.664 0.000) 1.664 1.328 ( 0.000 2.276 0.000) 2.276 1.338 ( 0.000 5.478 0.000) 5.478 1.407 ( 0.000 1.614 0.000) 1.614 1.430 ( 0.000 -0.666 0.000) 0.666 1.463 ( 0.000 1.422 0.000) 1.422 1.516 ( 0.000 -0.237 0.000) 0.237 1.525 ( 0.000 4.877 0.000) 4.877 1.613 ( 0.000 2.198 0.000) 2.198 1.678 ( 0.000 -4.388 0.000) 4.388 1.681 ( 0.000 -8.880 0.000) 8.880 1.829 ( 0.000 0.001 0.000) 0.001 1.836 ( 0.000 9.384 0.000) 9.384 1.865 ( 0.000 0.160 0.000) 0.160 1.954 ( 0.000 1.632 0.000) 1.632 1.955 ( 0.000 -1.327 0.000) 1.327 2.037 ( 0.000 -0.269 0.000) 0.269 2.083 ( 0.000 1.625 0.000) 1.625 2.089 ( 0.000 1.275 0.000) 1.275 2.122 ( 0.000 -3.517 0.000) 3.517 2.143 ( 0.000 -9.455 0.000) 9.455 2.286 ( 0.000 1.601 0.000) 1.601 2.288 ( 0.000 0.109 0.000) 0.109 2.319 ( 0.000 2.484 0.000) 2.484 2.352 ( 0.000 -1.363 0.000) 1.363 2.392 ( 0.000 -2.408 0.000) 2.408 2.404 ( 0.000 -3.171 0.000) 3.171 2.598 ( 0.000 4.589 0.000) 4.589 2.660 ( 0.000 -1.274 0.000) 1.274 2.727 ( 0.000 1.250 0.000) 1.250 2.744 ( 0.000 -0.468 0.000) 0.468 2.833 ( 0.000 3.497 0.000) 3.497 2.903 ( 0.000 -2.624 0.000) 2.624 2.955 ( 0.000 0.983 0.000) 0.983 2.977 ( 0.000 -1.380 0.000) 1.380 3.138 ( 0.000 1.101 0.000) 1.101 3.151 ( 0.000 0.926 0.000) 0.926 3.296 ( 0.000 5.970 0.000) 5.970 3.457 ( 0.000 -8.176 0.000) 8.176 3.619 ( 0.000 -0.968 0.000) 0.968 3.628 ( 0.000 -2.291 0.000) 2.291 3.860 ( 0.000 -2.267 0.000) 2.267 3.877 ( 0.000 -3.964 0.000) 3.964 4.465 ( 0.000 2.289 0.000) 2.289 4.512 ( 0.000 -1.822 0.000) 1.822 4.747 ( 0.000 -1.647 0.000) 1.647 4.762 ( 0.000 -2.501 0.000) 2.501 5.139 ( 0.000 8.108 0.000) 8.108 5.161 ( 0.000 7.803 0.000) 7.803 5.258 ( 0.000 -4.289 0.000) 4.289 5.280 ( 0.000 -4.087 0.000) 4.087 5.430 ( 0.000 7.273 0.000) 7.273 5.584 ( 0.000 -7.074 0.000) 7.074 5.797 ( 0.000 1.499 0.000) 1.499 5.827 ( 0.000 -1.286 0.000) 1.286 6.308 ( 0.000 6.741 0.000) 6.741 6.467 ( 0.000 -8.874 0.000) 8.874 6.925 ( 0.000 7.932 0.000) 7.932 7.065 ( 0.000 -5.798 0.000) 5.798 7.810 ( 0.000 12.363 0.000) 12.363 8.030 ( 0.000 -10.021 0.000) 10.021 11.688 ( 0.000 -0.299 0.000) 0.299 11.692 ( 0.000 -0.645 0.000) 0.645 11.803 ( 0.000 -0.117 0.000) 0.117 11.811 ( 0.000 -0.963 0.000) 0.963 13.001 ( 0.000 3.899 0.000) 3.899 13.109 ( 0.000 -7.024 0.000) 7.024 13.920 ( 0.000 2.171 0.000) 2.171 13.956 ( 0.000 -1.435 0.000) 1.435 15.050 ( 0.000 1.747 0.000) 1.747 15.070 ( 0.000 -0.045 0.000) 0.045 15.729 ( 0.000 8.104 0.000) 8.104 15.884 ( 0.000 -7.045 0.000) 7.045 16.091 ( 0.000 -0.980 0.000) 0.980 16.099 ( 0.000 -1.239 0.000) 1.239 16.507 ( 0.000 1.472 0.000) 1.472 16.524 ( 0.000 -0.329 0.000) 0.329 ======================= Grid point 22 (14/56) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 1.095 11.944 -1.164) 12.050 0.857 ( 2.612 6.892 1.840) 7.597 0.962 ( -1.528 -3.911 1.691) 4.527 1.030 ( -1.106 -6.692 0.936) 6.848 1.137 ( 1.678 0.269 -0.197) 1.710 1.149 ( -1.211 -0.130 -0.678) 1.394 1.283 ( -1.861 1.045 0.029) 2.134 1.295 ( 0.220 1.162 0.742) 1.396 1.321 ( -0.430 4.274 -2.712) 5.080 1.386 ( 0.280 3.961 -1.558) 4.265 1.401 ( 1.168 -2.069 -1.226) 2.673 1.449 ( 0.867 -2.137 -2.368) 3.305 1.490 ( 1.472 5.661 -2.910) 6.533 1.541 ( 3.025 2.883 -0.485) 4.207 1.588 ( 4.852 -0.589 -0.190) 4.891 1.648 ( 1.265 -2.797 -0.648) 3.137 1.685 ( 1.205 -2.787 1.927) 3.596 1.696 ( 2.210 -4.256 -0.241) 4.801 1.779 ( -2.642 3.213 3.039) 5.152 1.850 ( -1.716 -2.986 1.261) 3.668 1.890 ( 2.937 8.635 4.140) 10.016 1.918 ( -3.727 3.826 0.091) 5.342 1.974 ( -1.618 2.407 0.852) 3.022 2.015 ( -5.278 0.007 3.535) 6.352 2.029 ( 0.660 -4.632 0.034) 4.678 2.078 ( -0.610 -0.640 3.799) 3.901 2.120 ( -0.031 -0.633 2.492) 2.572 2.184 ( 1.669 -5.371 0.955) 5.705 2.254 ( -1.583 -2.036 -0.029) 2.579 2.260 ( -1.027 0.636 -1.745) 2.122 2.334 ( 0.224 0.662 -0.333) 0.774 2.353 ( -0.902 -0.575 -3.530) 3.689 2.404 ( 3.287 -0.937 -2.652) 4.326 2.426 ( 2.184 -3.457 -3.206) 5.196 2.561 ( -2.045 3.369 -3.433) 5.227 2.614 ( -2.476 -1.569 -4.125) 5.060 2.740 ( -1.045 2.355 1.201) 2.843 2.752 ( -0.096 0.706 3.937) 4.001 2.812 ( -2.268 1.866 -0.634) 3.005 2.868 ( -3.198 -2.391 -0.837) 4.080 2.972 ( 1.814 1.640 -0.052) 2.445 3.004 ( 2.223 -1.727 3.673) 4.627 3.102 ( -2.855 2.427 -0.240) 3.755 3.152 ( -1.308 -2.086 0.577) 2.529 3.245 ( -3.269 5.739 0.595) 6.631 3.389 ( -4.881 -7.515 -1.110) 9.029 3.605 ( -1.008 0.514 -1.253) 1.688 3.649 ( 0.287 -3.593 -0.766) 3.685 3.854 ( -0.460 -0.226 1.554) 1.637 3.895 ( 1.205 -4.557 1.299) 4.889 4.457 ( -0.792 3.573 -0.360) 3.678 4.520 ( -0.248 -1.775 -0.130) 1.797 4.654 ( -8.119 -1.221 -1.154) 8.291 4.672 ( -7.405 -2.151 1.896) 7.941 5.005 ( -7.057 7.247 -3.438) 10.684 5.101 ( -7.401 -0.384 -2.700) 7.887 5.234 ( 1.589 2.969 2.847) 4.410 5.322 ( 1.322 -4.307 3.034) 5.432 5.393 ( -2.107 4.311 2.379) 5.356 5.508 ( -5.946 -6.871 2.789) 9.505 5.911 ( 8.361 2.379 -2.707) 9.104 5.948 ( 7.939 -0.984 -1.536) 8.145 6.328 ( 1.261 6.479 -3.801) 7.617 6.472 ( 1.280 -7.635 -2.492) 8.133 7.007 ( 6.617 7.140 2.910) 10.160 7.138 ( 5.832 -5.641 2.929) 8.626 7.808 ( -0.050 11.596 -0.224) 11.598 8.006 ( -1.935 -8.299 -0.918) 8.571 11.681 ( -0.121 -0.224 -0.087) 0.269 11.683 ( 0.053 -0.399 -0.483) 0.628 11.856 ( 4.062 0.251 0.472) 4.097 11.880 ( 4.773 -2.311 -0.723) 5.352 13.010 ( 0.935 2.196 0.573) 2.454 13.093 ( -1.005 -6.160 0.185) 6.244 13.942 ( 1.848 2.495 0.133) 3.107 13.985 ( 2.424 -1.866 0.029) 3.059 15.043 ( -0.577 1.588 -0.004) 1.689 15.061 ( -0.760 -0.067 0.343) 0.837 15.691 ( -3.270 7.068 -1.215) 7.882 15.818 ( -5.551 -5.240 -2.470) 8.023 16.070 ( -1.015 0.834 0.183) 1.326 16.101 ( -0.690 -2.496 2.312) 3.471 16.513 ( 0.933 2.371 -0.116) 2.551 16.551 ( 1.762 -1.423 1.318) 2.621 ======================= Grid point 23 (15/56) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 3.947 6.835 1.136) 7.974 0.901 ( 0.028 -1.873 0.870) 2.065 0.991 ( 4.645 3.841 2.230) 6.427 1.021 ( 0.335 -0.626 1.384) 1.555 1.143 ( 1.003 4.814 3.037) 5.780 1.191 ( 2.180 0.232 -2.760) 3.524 1.245 ( -2.083 0.310 -2.272) 3.098 1.266 ( -2.172 1.695 -4.892) 5.615 1.329 ( 0.958 -1.818 2.706) 3.398 1.367 ( 1.084 -0.957 -1.822) 2.326 1.427 ( -0.327 4.241 -3.099) 5.263 1.467 ( 2.898 -0.944 -1.936) 3.611 1.509 ( -3.391 2.229 -3.837) 5.584 1.574 ( 0.113 -1.166 -0.325) 1.216 1.637 ( -0.195 -3.091 -1.055) 3.271 1.640 ( 0.268 -0.599 0.525) 0.841 1.735 ( 2.671 0.509 3.545) 4.467 1.746 ( 0.301 -0.504 3.017) 3.074 1.793 ( 2.603 1.479 0.247) 3.004 1.801 ( -1.850 1.238 3.965) 4.547 1.832 ( -3.085 -1.350 -0.210) 3.374 1.864 ( -4.908 -2.293 2.811) 6.103 1.946 ( 2.149 2.599 -1.487) 3.686 1.996 ( -1.973 0.194 0.455) 2.034 2.026 ( 1.257 -0.016 2.871) 3.134 2.032 ( -2.709 -1.346 0.222) 3.033 2.154 ( 0.923 2.234 3.207) 4.015 2.170 ( -1.180 -0.252 0.626) 1.359 2.254 ( 0.574 -1.128 -0.041) 1.267 2.265 ( 0.157 0.431 -0.863) 0.977 2.335 ( 0.730 -1.261 0.799) 1.661 2.366 ( 1.305 -2.587 -1.771) 3.396 2.436 ( 1.964 2.873 -1.135) 3.660 2.486 ( 2.089 -0.155 -1.629) 2.654 2.522 ( -1.248 0.073 -2.374) 2.683 2.570 ( -2.248 -2.039 -0.415) 3.063 2.687 ( -1.730 4.987 -3.610) 6.395 2.735 ( -2.022 0.969 2.390) 3.277 2.759 ( -2.887 -1.674 0.379) 3.359 2.810 ( -0.326 -4.260 -2.530) 4.966 2.974 ( -2.522 4.277 -1.517) 5.192 3.027 ( -2.918 -0.811 0.248) 3.039 3.072 ( 2.004 -0.317 3.699) 4.219 3.108 ( -1.143 -2.770 -0.334) 3.015 3.220 ( 0.203 2.071 1.905) 2.821 3.294 ( -3.677 -4.906 -0.563) 6.157 3.560 ( -2.752 0.502 -1.716) 3.281 3.618 ( -2.769 -4.829 -1.980) 5.908 3.852 ( -0.064 2.024 2.472) 3.195 3.923 ( 1.066 -5.320 2.031) 5.793 4.404 ( -4.853 4.902 -1.624) 7.087 4.460 ( -4.852 5.522 0.546) 7.371 4.495 ( -4.165 -4.149 -2.166) 6.266 4.553 ( -3.388 -3.514 0.966) 4.976 4.921 ( -1.156 4.521 1.426) 4.880 4.998 ( -1.529 -2.460 0.567) 2.951 5.189 ( -4.546 4.659 -4.306) 7.805 5.319 ( -1.964 -7.426 -5.682) 9.554 5.430 ( 3.134 1.456 9.875) 10.463 5.467 ( 1.915 -1.556 7.043) 7.463 6.015 ( 1.137 -0.013 -2.654) 2.887 6.018 ( -0.186 -0.560 -6.031) 6.060 6.384 ( 4.828 6.369 -1.073) 8.064 6.504 ( 1.648 -5.634 -1.291) 6.010 7.151 ( 5.737 6.071 1.722) 8.529 7.261 ( 4.505 -4.855 2.583) 7.109 7.812 ( 0.466 9.787 -0.152) 9.799 7.965 ( -1.503 -5.489 -0.864) 5.757 11.691 ( 0.815 -0.094 -0.132) 0.831 11.694 ( 0.808 -0.391 -0.299) 0.946 11.932 ( 2.779 -0.068 0.407) 2.809 11.955 ( 2.146 -2.361 -0.735) 3.274 13.033 ( 0.870 0.394 -0.244) 0.985 13.091 ( 0.875 -6.008 0.853) 6.131 13.983 ( 1.754 3.000 0.131) 3.477 14.036 ( 2.155 -2.461 0.038) 3.271 15.033 ( -0.322 1.166 0.069) 1.212 15.046 ( -0.641 -0.011 0.297) 0.707 15.614 ( -3.311 4.950 -0.891) 6.021 15.689 ( -5.457 -1.955 -1.635) 6.023 16.054 ( -0.607 0.994 0.517) 1.274 16.085 ( -0.934 -2.293 1.018) 2.677 16.539 ( 1.356 2.691 -0.152) 3.017 16.586 ( 1.225 -1.872 1.104) 2.495 ======================= Grid point 24 (16/56) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 2.053 0.000) 2.053 0.898 ( -0.000 -0.739 -0.000) 0.739 1.017 ( 0.000 4.194 0.000) 4.194 1.062 ( 0.000 0.712 -0.000) 0.712 1.159 ( -0.000 3.649 -0.000) 3.649 1.185 ( 0.000 8.470 -0.000) 8.470 1.248 ( -0.000 -2.863 -0.000) 2.863 1.272 ( 0.000 4.340 0.000) 4.340 1.317 ( 0.000 -1.074 -0.000) 1.074 1.361 ( 0.000 -1.095 0.000) 1.095 1.424 ( 0.000 3.919 0.000) 3.919 1.492 ( -0.000 -4.516 0.000) 4.516 1.503 ( 0.000 -0.564 -0.000) 0.564 1.511 ( -0.000 -3.290 -0.000) 3.290 1.619 ( 0.000 -0.826 -0.000) 0.826 1.650 ( -0.000 -0.601 0.000) 0.601 1.747 ( 0.000 2.995 0.000) 2.995 1.749 ( -0.000 -0.097 -0.000) 0.097 1.782 ( 0.000 -2.752 -0.000) 2.752 1.811 ( -0.000 -0.201 0.000) 0.201 1.831 ( -0.000 -0.106 -0.000) 0.106 1.846 ( 0.000 -2.304 -0.000) 2.304 1.953 ( -0.000 0.857 -0.000) 0.857 1.981 ( 0.000 1.120 -0.000) 1.120 2.010 ( 0.000 1.413 0.000) 1.413 2.096 ( -0.000 -3.146 0.000) 3.146 2.126 ( -0.000 -0.851 0.000) 0.851 2.127 ( 0.000 -1.071 -0.000) 1.071 2.254 ( 0.000 3.644 0.000) 3.644 2.285 ( 0.000 3.873 -0.000) 3.873 2.349 ( 0.000 -2.613 0.000) 2.613 2.365 ( -0.000 -1.390 -0.000) 1.390 2.481 ( -0.000 3.748 0.000) 3.748 2.492 ( 0.000 -0.060 -0.000) 0.060 2.513 ( 0.000 -2.518 -0.000) 2.518 2.528 ( 0.000 2.601 0.000) 2.601 2.680 ( -0.000 4.463 0.000) 4.463 2.702 ( 0.000 0.665 -0.000) 0.665 2.717 ( 0.000 -1.709 0.000) 1.709 2.832 ( 0.000 -5.916 -0.000) 5.916 2.937 ( 0.000 2.393 -0.000) 2.393 2.978 ( -0.000 -1.379 0.000) 1.379 3.098 ( 0.000 -2.254 0.000) 2.254 3.099 ( -0.000 -1.499 -0.000) 1.499 3.233 ( 0.000 0.096 -0.000) 0.096 3.255 ( -0.000 -2.364 0.000) 2.364 3.520 ( 0.000 -0.048 0.000) 0.048 3.573 ( 0.000 -5.053 0.000) 5.053 3.857 ( 0.000 2.750 0.000) 2.750 3.938 ( 0.000 -5.532 -0.000) 5.532 4.337 ( 0.000 4.929 0.000) 4.929 4.392 ( -0.000 3.393 -0.000) 3.393 4.465 ( 0.000 -1.790 0.000) 1.790 4.520 ( 0.000 -2.986 0.000) 2.986 4.920 ( 0.000 5.439 0.000) 5.439 5.000 ( 0.000 -2.611 -0.000) 2.611 5.123 ( -0.000 4.920 -0.000) 4.920 5.278 ( 0.000 -10.798 0.000) 10.798 5.487 ( -0.000 2.651 -0.000) 2.651 5.512 ( 0.000 -0.290 0.000) 0.290 5.982 ( 0.000 1.446 -0.000) 1.446 6.017 ( 0.000 -1.980 0.000) 1.980 6.451 ( 0.000 3.582 -0.000) 3.582 6.518 ( 0.000 -3.075 0.000) 3.075 7.216 ( 0.000 5.492 -0.000) 5.492 7.312 ( 0.000 -4.237 0.000) 4.237 7.819 ( 0.000 8.646 -0.000) 8.646 7.948 ( 0.000 -4.192 0.000) 4.192 11.701 ( 0.000 -0.119 -0.000) 0.119 11.704 ( 0.000 -0.332 0.000) 0.332 11.965 ( 0.000 -0.830 0.000) 0.830 11.970 ( -0.000 -1.486 -0.000) 1.486 13.042 ( 0.000 0.658 -0.000) 0.658 13.108 ( -0.000 -6.957 0.000) 6.957 14.003 ( 0.000 3.206 -0.000) 3.206 14.060 ( 0.000 -2.672 -0.000) 2.672 15.030 ( -0.000 0.877 -0.000) 0.877 15.039 ( 0.000 0.087 0.000) 0.087 15.576 ( 0.000 3.783 0.000) 3.783 15.625 ( 0.000 -0.550 -0.000) 0.550 16.048 ( 0.000 0.870 -0.000) 0.870 16.075 ( 0.000 -2.043 0.000) 2.043 16.555 ( 0.000 2.607 -0.000) 2.607 16.600 ( 0.000 -1.777 0.000) 1.777 ======================= Grid point 49 (17/56) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( 2.089 0.000 14.930) 15.075 0.369 ( -0.082 0.000 16.891) 16.891 0.636 ( 6.149 0.000 27.816) 28.488 0.929 ( -2.696 0.000 -8.462) 8.882 1.002 ( 8.592 0.000 -8.390) 12.009 1.101 ( -4.962 0.000 -2.518) 5.565 1.112 ( 0.308 0.000 0.991) 1.037 1.245 ( -0.777 0.000 -0.608) 0.986 1.252 ( -2.968 0.000 -0.823) 3.080 1.316 ( -1.938 0.000 -2.261) 2.978 1.342 ( -0.203 0.000 4.756) 4.761 1.389 ( 0.835 0.000 -2.745) 2.869 1.461 ( 2.159 0.000 -0.861) 2.324 1.469 ( 8.956 0.000 1.956) 9.168 1.534 ( -3.959 0.000 1.780) 4.341 1.535 ( -4.838 0.000 3.001) 5.694 1.689 ( -3.082 0.000 2.353) 3.877 1.707 ( 0.525 0.000 -5.797) 5.821 1.765 ( -1.322 0.000 1.592) 2.069 1.842 ( 4.279 0.000 3.709) 5.663 1.914 ( 2.235 0.000 1.837) 2.893 1.917 ( -1.879 0.000 -4.233) 4.631 1.936 ( 1.786 0.000 2.493) 3.067 2.032 ( -1.304 0.000 -3.862) 4.076 2.075 ( 1.457 0.000 -3.445) 3.741 2.119 ( -0.790 0.000 -3.984) 4.061 2.151 ( -3.853 0.000 -4.709) 6.084 2.167 ( 6.658 0.000 -9.700) 11.766 2.281 ( -1.478 0.000 -0.526) 1.569 2.286 ( -0.819 0.000 -0.038) 0.820 2.315 ( 0.015 0.000 -2.856) 2.856 2.392 ( 1.576 0.000 -1.359) 2.081 2.500 ( -0.459 0.000 3.600) 3.629 2.559 ( -2.530 0.000 3.800) 4.565 2.584 ( 0.007 0.000 -0.342) 0.342 2.661 ( -3.109 0.000 1.250) 3.351 2.684 ( -0.959 0.000 -2.223) 2.421 2.818 ( 1.047 0.000 -2.421) 2.638 2.848 ( -0.717 0.000 4.173) 4.234 2.861 ( 0.154 0.000 2.615) 2.620 2.984 ( 5.276 0.000 2.791) 5.969 3.024 ( -5.378 0.000 0.177) 5.380 3.109 ( 1.604 0.000 0.833) 1.808 3.141 ( 0.114 0.000 0.202) 0.232 3.268 ( 1.961 0.000 6.191) 6.494 3.600 ( -2.726 0.000 -5.486) 6.126 3.822 ( -2.593 0.000 3.042) 3.997 3.850 ( 2.328 0.000 0.716) 2.436 4.035 ( -1.609 0.000 1.825) 2.433 4.058 ( 1.208 0.000 1.839) 2.200 4.387 ( 0.833 0.000 -3.106) 3.216 4.490 ( -0.331 0.000 -4.642) 4.654 4.678 ( 0.956 0.000 0.825) 1.263 4.726 ( -1.752 0.000 -1.453) 2.276 4.883 ( -2.339 0.000 4.984) 5.506 4.945 ( -0.154 0.000 1.730) 1.736 5.414 ( 1.808 0.000 2.729) 3.273 5.440 ( -2.390 0.000 -0.501) 2.442 5.535 ( -0.993 0.000 -3.216) 3.366 5.612 ( 0.140 0.000 -4.256) 4.258 5.717 ( -5.178 0.000 8.569) 10.012 6.124 ( -4.657 0.000 -8.917) 10.060 6.642 ( -5.895 0.000 2.970) 6.601 6.646 ( 21.617 0.000 0.089) 21.617 6.767 ( 8.343 0.000 3.396) 9.008 6.999 ( -4.006 0.000 -3.871) 5.571 7.539 ( -11.763 0.000 0.310) 11.767 7.548 ( 2.310 0.000 -0.040) 2.310 11.732 ( -0.463 0.000 -0.361) 0.587 11.740 ( 0.645 0.000 -0.782) 1.014 11.871 ( 1.082 0.000 3.023) 3.211 12.029 ( -27.012 0.000 -2.845) 27.162 13.234 ( -4.026 0.000 3.462) 5.310 13.412 ( 31.622 0.000 -3.099) 31.773 13.837 ( -1.295 0.000 2.306) 2.645 13.959 ( 0.991 0.000 -2.178) 2.392 15.016 ( -0.261 0.000 4.069) 4.077 15.241 ( -0.198 0.000 -3.669) 3.675 15.424 ( 0.798 0.000 -0.992) 1.273 15.446 ( -4.711 0.000 -0.925) 4.800 16.125 ( 2.161 0.000 5.081) 5.521 16.363 ( 3.065 0.000 -4.407) 5.368 16.406 ( -4.208 0.000 1.133) 4.357 16.453 ( 20.195 0.000 -0.172) 20.196 ======================= Grid point 50 (18/56) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 5.439 0.000 10.186) 11.547 0.457 ( 7.299 0.000 12.537) 14.507 0.887 ( -9.656 0.000 -11.443) 14.973 0.913 ( 2.853 0.000 -9.654) 10.067 1.028 ( 18.675 0.000 20.204) 27.513 1.103 ( -6.002 0.000 0.549) 6.027 1.135 ( 2.449 0.000 -0.562) 2.513 1.148 ( -4.638 0.000 6.233) 7.769 1.255 ( 7.900 0.000 -1.683) 8.077 1.266 ( -1.589 0.000 0.110) 1.593 1.343 ( -6.142 0.000 -7.496) 9.691 1.419 ( 3.655 0.000 -1.053) 3.804 1.448 ( -2.588 0.000 -0.816) 2.714 1.452 ( -4.617 0.000 4.492) 6.441 1.481 ( 0.744 0.000 2.660) 2.762 1.640 ( 2.410 0.000 1.035) 2.623 1.667 ( 1.396 0.000 2.704) 3.043 1.743 ( 2.054 0.000 -0.906) 2.245 1.758 ( 3.237 0.000 0.390) 3.260 1.892 ( 0.082 0.000 -0.838) 0.842 1.903 ( 2.454 0.000 -5.871) 6.363 1.965 ( 2.012 0.000 3.657) 4.174 1.967 ( 1.465 0.000 3.537) 3.828 1.987 ( -0.476 0.000 -8.168) 8.182 2.061 ( -1.896 0.000 -3.679) 4.139 2.079 ( -2.657 0.000 -3.562) 4.443 2.141 ( 2.188 0.000 -5.586) 5.999 2.199 ( -2.353 0.000 -1.932) 3.045 2.225 ( -2.641 0.000 -1.354) 2.968 2.293 ( 2.063 0.000 -1.003) 2.294 2.370 ( 2.683 0.000 -0.215) 2.692 2.394 ( -2.118 0.000 0.554) 2.189 2.466 ( -4.096 0.000 -1.161) 4.258 2.504 ( -7.247 0.000 1.139) 7.336 2.547 ( 3.564 0.000 4.883) 6.045 2.592 ( -2.482 0.000 -2.203) 3.318 2.597 ( -5.540 0.000 -2.486) 6.072 2.780 ( -2.909 0.000 -0.669) 2.984 2.849 ( -1.687 0.000 1.721) 2.410 2.892 ( 2.148 0.000 1.261) 2.490 2.981 ( 0.761 0.000 1.621) 1.791 3.107 ( 3.615 0.000 0.457) 3.644 3.130 ( -2.014 0.000 0.957) 2.230 3.164 ( 4.112 0.000 0.996) 4.231 3.332 ( 1.655 0.000 7.019) 7.212 3.387 ( -8.176 0.000 2.936) 8.687 3.831 ( 1.549 0.000 0.558) 1.647 3.910 ( 2.267 0.000 1.134) 2.534 3.988 ( -2.280 0.000 1.800) 2.904 4.023 ( -5.451 0.000 2.085) 5.836 4.365 ( -8.905 0.000 -2.823) 9.342 4.379 ( -0.690 0.000 -4.359) 4.413 4.645 ( -4.405 0.000 0.363) 4.420 4.675 ( -1.940 0.000 0.553) 2.017 4.866 ( -1.829 0.000 5.852) 6.131 4.951 ( 1.464 0.000 1.764) 2.292 5.212 ( -11.027 0.000 3.395) 11.538 5.356 ( -11.705 0.000 -2.483) 11.965 5.481 ( 3.515 0.000 4.333) 5.580 5.749 ( 10.463 0.000 -6.855) 12.509 5.834 ( 9.207 0.000 8.498) 12.529 5.970 ( -9.143 0.000 -7.513) 11.833 6.564 ( -0.478 0.000 1.331) 1.414 6.820 ( -9.194 0.000 -4.613) 10.286 6.967 ( 8.058 0.000 2.739) 8.510 7.067 ( 11.966 0.000 -10.541) 15.947 7.388 ( -0.444 0.000 6.585) 6.600 7.622 ( 3.888 0.000 1.600) 4.204 11.637 ( -1.581 0.000 -1.880) 2.457 11.706 ( -1.454 0.000 -1.364) 1.993 11.965 ( 4.819 0.000 3.913) 6.207 12.004 ( 7.417 0.000 7.130) 10.289 13.129 ( -5.006 0.000 -0.748) 5.062 13.708 ( 2.579 0.000 -11.482) 11.768 13.918 ( 6.970 0.000 -4.307) 8.193 14.001 ( 2.883 0.000 -1.509) 3.254 15.021 ( -0.122 0.000 4.394) 4.396 15.228 ( -0.241 0.000 -3.908) 3.915 15.263 ( -9.000 0.000 7.787) 11.901 15.433 ( 0.057 0.000 -0.407) 0.411 16.120 ( -3.370 0.000 2.596) 4.254 16.285 ( -3.865 0.000 -5.734) 6.915 16.378 ( 1.717 0.000 0.606) 1.820 16.700 ( 1.335 0.000 -1.720) 2.177 ======================= Grid point 51 (19/56) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -0.919 0.000 5.494) 5.570 0.609 ( 14.458 0.000 -0.904) 14.486 0.739 ( 0.171 0.000 -6.679) 6.682 0.978 ( -4.570 0.000 2.455) 5.188 0.984 ( 5.029 0.000 -10.034) 11.224 1.101 ( -0.550 0.000 4.910) 4.941 1.111 ( -9.713 0.000 -4.694) 10.787 1.192 ( 4.198 0.000 -1.874) 4.597 1.276 ( 0.652 0.000 1.937) 2.044 1.297 ( -8.842 0.000 3.932) 9.676 1.343 ( 0.999 0.000 -4.715) 4.820 1.419 ( 4.365 0.000 -0.151) 4.367 1.473 ( 5.135 0.000 3.877) 6.434 1.475 ( 3.036 0.000 -0.396) 3.062 1.561 ( 9.077 0.000 11.242) 14.449 1.631 ( -0.967 0.000 0.030) 0.968 1.711 ( -4.613 0.000 1.837) 4.966 1.752 ( 4.496 0.000 0.321) 4.507 1.814 ( 2.083 0.000 -2.226) 3.049 1.896 ( -1.885 0.000 0.595) 1.977 1.966 ( -0.572 0.000 -1.730) 1.822 1.973 ( -3.237 0.000 -7.138) 7.838 2.000 ( 1.324 0.000 1.239) 1.813 2.001 ( -0.518 0.000 4.558) 4.588 2.028 ( 4.393 0.000 -7.941) 9.075 2.063 ( 4.393 0.000 2.618) 5.113 2.064 ( -7.074 0.000 1.686) 7.272 2.191 ( 2.703 0.000 -2.752) 3.857 2.197 ( -0.007 0.000 2.864) 2.864 2.295 ( -4.971 0.000 4.181) 6.496 2.334 ( -6.183 0.000 -2.973) 6.861 2.367 ( -3.996 0.000 0.309) 4.007 2.380 ( 2.238 0.000 -1.128) 2.506 2.415 ( 1.628 0.000 -3.970) 4.291 2.511 ( -1.612 0.000 -2.404) 2.894 2.540 ( -2.064 0.000 -5.274) 5.664 2.635 ( 1.897 0.000 -2.692) 3.293 2.713 ( -2.902 0.000 -1.156) 3.123 2.819 ( -0.466 0.000 3.265) 3.298 2.924 ( 0.720 0.000 0.623) 0.952 2.996 ( -3.586 0.000 4.226) 5.543 3.062 ( 1.557 0.000 2.149) 2.654 3.140 ( 0.735 0.000 -3.577) 3.652 3.270 ( 4.139 0.000 1.880) 4.546 3.341 ( -1.808 0.000 4.559) 4.904 3.348 ( 0.609 0.000 1.958) 2.051 3.841 ( -1.144 0.000 -2.563) 2.807 3.880 ( -3.215 0.000 -1.535) 3.563 3.891 ( -5.613 0.000 2.595) 6.184 3.983 ( -1.426 0.000 1.408) 2.005 4.209 ( -4.171 0.000 2.351) 4.787 4.368 ( 1.005 0.000 -4.006) 4.130 4.578 ( -2.206 0.000 1.650) 2.755 4.620 ( -2.379 0.000 -0.598) 2.453 4.774 ( -6.983 0.000 7.227) 10.050 5.004 ( 1.357 0.000 -1.618) 2.112 5.118 ( 0.149 0.000 0.164) 0.222 5.148 ( -6.234 0.000 2.296) 6.643 5.547 ( 1.340 0.000 4.476) 4.672 5.704 ( -7.271 0.000 -9.979) 12.347 6.008 ( 5.369 0.000 6.617) 8.522 6.017 ( 9.618 0.000 -0.132) 9.619 6.570 ( -0.057 0.000 -1.007) 1.009 6.633 ( -6.723 0.000 -3.768) 7.707 7.094 ( 3.930 0.000 0.759) 4.003 7.166 ( 1.005 0.000 -3.446) 3.589 7.479 ( 5.845 0.000 1.402) 6.011 7.680 ( 1.030 0.000 0.709) 1.251 11.641 ( 1.487 0.000 -4.149) 4.407 11.693 ( 0.182 0.000 -2.268) 2.276 12.062 ( 3.621 0.000 5.761) 6.804 12.124 ( 2.046 0.000 8.431) 8.676 13.077 ( 0.505 0.000 0.018) 0.505 13.704 ( 0.073 0.000 -12.298) 12.298 13.994 ( 1.637 0.000 -3.026) 3.441 14.050 ( 1.798 0.000 -1.401) 2.280 15.026 ( -0.214 0.000 4.745) 4.749 15.145 ( -4.324 0.000 8.361) 9.413 15.220 ( 0.249 0.000 -3.513) 3.521 15.425 ( -0.527 0.000 -1.916) 1.988 16.051 ( -2.660 0.000 -0.246) 2.671 16.213 ( -1.875 0.000 -5.961) 6.249 16.436 ( 2.698 0.000 3.022) 4.051 16.671 ( -2.727 0.000 1.567) 3.146 ======================= Grid point 52 (20/56) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -2.153 0.000 2.187) 3.068 0.771 ( 2.070 0.000 -2.989) 3.635 0.804 ( -6.528 0.000 -13.559) 15.049 0.950 ( 5.237 0.000 0.447) 5.256 0.957 ( 0.476 0.000 3.994) 4.022 1.077 ( 6.108 0.000 -5.903) 8.494 1.115 ( -7.449 0.000 3.999) 8.455 1.141 ( 2.884 0.000 2.379) 3.739 1.228 ( -3.287 0.000 -2.977) 4.435 1.310 ( 4.174 0.000 0.691) 4.231 1.367 ( 2.496 0.000 -3.054) 3.944 1.416 ( -2.418 0.000 -3.970) 4.649 1.543 ( 1.849 0.000 3.240) 3.731 1.556 ( 0.659 0.000 3.252) 3.318 1.604 ( -3.262 0.000 1.201) 3.476 1.632 ( 2.870 0.000 1.064) 3.061 1.691 ( -6.551 0.000 6.238) 9.046 1.783 ( -5.813 0.000 3.262) 6.665 1.794 ( 1.500 0.000 -5.493) 5.694 1.869 ( -2.437 0.000 -3.980) 4.667 1.876 ( -0.658 0.000 0.020) 0.658 1.934 ( 0.094 0.000 3.643) 3.644 1.990 ( 1.198 0.000 1.218) 1.708 2.019 ( 1.820 0.000 -3.957) 4.355 2.061 ( 2.694 0.000 4.813) 5.516 2.067 ( -0.961 0.000 2.677) 2.844 2.118 ( 0.773 0.000 3.408) 3.494 2.196 ( -1.018 0.000 1.331) 1.676 2.222 ( -3.271 0.000 4.566) 5.617 2.261 ( 1.248 0.000 -4.921) 5.077 2.263 ( 3.242 0.000 -0.597) 3.296 2.395 ( 7.677 0.000 -2.079) 7.954 2.402 ( -0.460 0.000 0.362) 0.585 2.467 ( 0.431 0.000 -3.825) 3.849 2.485 ( -0.363 0.000 -3.581) 3.599 2.507 ( 2.475 0.000 -1.989) 3.175 2.585 ( -3.648 0.000 -6.917) 7.820 2.678 ( 0.144 0.000 -3.596) 3.599 2.846 ( 0.701 0.000 3.548) 3.616 2.921 ( -1.026 0.000 -0.443) 1.117 2.959 ( 1.249 0.000 1.776) 2.171 3.109 ( -3.182 0.000 -4.627) 5.616 3.150 ( 4.354 0.000 8.599) 9.639 3.271 ( -4.731 0.000 2.978) 5.591 3.339 ( 1.291 0.000 0.095) 1.295 3.343 ( -1.801 0.000 0.550) 1.883 3.785 ( -1.421 0.000 0.034) 1.421 3.847 ( 1.414 0.000 -1.086) 1.783 3.863 ( 1.418 0.000 -0.145) 1.426 3.912 ( -3.843 0.000 -2.326) 4.492 4.192 ( 0.428 0.000 4.832) 4.850 4.408 ( 2.615 0.000 -3.584) 4.437 4.561 ( 0.845 0.000 1.635) 1.840 4.599 ( 0.446 0.000 -0.526) 0.690 4.673 ( -3.348 0.000 6.482) 7.296 4.984 ( 0.457 0.000 -4.962) 4.983 5.088 ( -2.898 0.000 3.159) 4.287 5.158 ( 3.017 0.000 1.772) 3.499 5.534 ( -3.203 0.000 1.831) 3.689 5.674 ( 5.628 0.000 -2.963) 6.360 6.061 ( -1.400 0.000 4.954) 5.148 6.165 ( 4.438 0.000 1.585) 4.712 6.541 ( -2.525 0.000 -3.130) 4.021 6.554 ( -0.484 0.000 -3.424) 3.459 7.130 ( -0.679 0.000 -0.145) 0.694 7.146 ( -1.881 0.000 -1.462) 2.383 7.580 ( 3.306 0.000 1.886) 3.806 7.664 ( -2.240 0.000 -1.359) 2.620 11.663 ( 1.190 0.000 -3.848) 4.027 11.688 ( -0.339 0.000 -2.943) 2.962 12.128 ( -2.314 0.000 5.693) 6.145 12.152 ( 4.283 0.000 8.374) 9.406 13.128 ( 3.075 0.000 4.488) 5.441 13.657 ( -2.475 0.000 -17.391) 17.566 13.995 ( -1.016 0.000 -0.223) 1.040 14.063 ( -0.352 0.000 -1.662) 1.698 15.029 ( -0.459 0.000 4.788) 4.810 15.102 ( -1.526 0.000 8.244) 8.384 15.225 ( 0.833 0.000 -2.880) 2.998 15.409 ( -0.397 0.000 -3.659) 3.680 16.017 ( -0.711 0.000 0.057) 0.713 16.183 ( -0.075 0.000 -6.317) 6.317 16.487 ( 1.528 0.000 4.483) 4.737 16.609 ( -3.454 0.000 0.781) 3.541 ======================= Grid point 53 (21/56) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -4.829 0.000 5.369) 7.221 0.507 ( -15.543 0.000 -11.329) 19.234 0.797 ( -0.069 0.000 -5.084) 5.084 0.986 ( 5.243 0.000 5.908) 7.899 1.011 ( -3.757 0.000 -0.449) 3.783 1.081 ( 2.639 0.000 -0.198) 2.646 1.155 ( -1.579 0.000 -3.551) 3.886 1.201 ( 1.897 0.000 -0.532) 1.970 1.244 ( 6.993 0.000 -1.093) 7.078 1.291 ( -11.023 0.000 5.517) 12.327 1.325 ( -1.949 0.000 1.101) 2.238 1.350 ( -2.498 0.000 -2.410) 3.472 1.514 ( -4.517 0.000 1.962) 4.925 1.523 ( -2.901 0.000 0.851) 3.023 1.578 ( 1.696 0.000 4.496) 4.805 1.637 ( 3.391 0.000 -4.340) 5.508 1.723 ( 3.777 0.000 3.288) 5.008 1.764 ( 4.596 0.000 -3.163) 5.580 1.795 ( -1.457 0.000 0.132) 1.463 1.834 ( -0.826 0.000 -2.242) 2.389 1.846 ( -2.677 0.000 1.265) 2.961 1.892 ( -1.384 0.000 1.701) 2.192 1.969 ( -5.999 0.000 1.825) 6.271 1.992 ( -1.771 0.000 -0.131) 1.776 2.090 ( 0.939 0.000 -3.320) 3.450 2.110 ( -3.268 0.000 -4.697) 5.722 2.151 ( 1.000 0.000 3.777) 3.907 2.183 ( 2.876 0.000 0.650) 2.949 2.246 ( 4.621 0.000 3.165) 5.600 2.287 ( 2.348 0.000 -1.132) 2.606 2.345 ( 5.422 0.000 -0.752) 5.474 2.394 ( -0.557 0.000 3.421) 3.466 2.408 ( -2.454 0.000 -6.289) 6.751 2.468 ( -1.257 0.000 -4.302) 4.482 2.550 ( 2.611 0.000 -4.957) 5.603 2.555 ( 5.749 0.000 2.264) 6.178 2.596 ( 3.028 0.000 1.690) 3.467 2.706 ( 3.483 0.000 -7.902) 8.636 2.851 ( -0.195 0.000 2.939) 2.946 2.891 ( -1.235 0.000 -1.460) 1.912 3.021 ( -3.836 0.000 0.258) 3.845 3.025 ( 3.509 0.000 0.785) 3.596 3.160 ( -5.270 0.000 -0.538) 5.298 3.254 ( 1.492 0.000 6.577) 6.744 3.290 ( -0.502 0.000 5.743) 5.765 3.332 ( -1.920 0.000 0.747) 2.060 3.802 ( 2.066 0.000 0.933) 2.267 3.842 ( -2.056 0.000 -2.614) 3.326 3.917 ( 3.210 0.000 0.919) 3.339 3.938 ( 5.890 0.000 0.640) 5.925 4.241 ( 4.324 0.000 2.085) 4.801 4.434 ( 0.801 0.000 -4.798) 4.864 4.622 ( 1.560 0.000 -0.623) 1.679 4.632 ( 4.812 0.000 0.555) 4.844 4.675 ( 2.735 0.000 8.104) 8.553 4.975 ( -2.046 0.000 0.016) 2.046 5.136 ( 9.292 0.000 -1.317) 9.385 5.246 ( 5.021 0.000 4.442) 6.704 5.444 ( -4.661 0.000 -1.305) 4.841 5.796 ( 2.990 0.000 -5.087) 5.900 5.977 ( -7.183 0.000 3.385) 7.941 6.254 ( 5.742 0.000 6.273) 8.504 6.448 ( -5.787 0.000 -4.122) 7.105 6.564 ( 1.000 0.000 -4.910) 5.011 7.060 ( -6.089 0.000 -0.176) 6.091 7.099 ( -2.202 0.000 -0.448) 2.247 7.600 ( -3.168 0.000 -2.739) 4.188 7.624 ( 0.755 0.000 3.715) 3.791 11.672 ( -0.286 0.000 -2.965) 2.979 11.674 ( 0.685 0.000 -3.115) 3.189 12.064 ( -4.729 0.000 3.573) 5.928 12.297 ( 8.656 0.000 12.031) 14.822 13.200 ( 2.652 0.000 7.002) 7.487 13.498 ( -10.223 0.000 -26.765) 28.651 13.956 ( -2.818 0.000 1.772) 3.329 14.031 ( -2.177 0.000 -2.018) 2.968 15.024 ( -0.768 0.000 4.117) 4.188 15.122 ( 2.176 0.000 11.431) 11.637 15.239 ( 0.866 0.000 -2.551) 2.694 15.400 ( 0.344 0.000 -4.033) 4.048 16.019 ( 0.873 0.000 1.116) 1.416 16.170 ( -0.420 0.000 -7.471) 7.483 16.511 ( -0.307 0.000 5.473) 5.481 16.534 ( -3.727 0.000 0.237) 3.734 ======================= Grid point 54 (22/56) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.224 ( -4.698 0.000 6.802) 8.266 0.350 ( -6.668 0.000 10.291) 12.263 0.805 ( -15.647 0.000 16.933) 23.055 0.839 ( 6.196 0.000 -5.443) 8.247 1.051 ( -8.358 0.000 -3.523) 9.070 1.116 ( -1.602 0.000 -0.793) 1.787 1.131 ( 3.881 0.000 -2.262) 4.492 1.196 ( 9.619 0.000 1.108) 9.682 1.221 ( 0.571 0.000 0.331) 0.660 1.305 ( -1.758 0.000 -0.684) 1.886 1.314 ( 2.063 0.000 -2.191) 3.010 1.376 ( 2.859 0.000 0.997) 3.028 1.456 ( -2.610 0.000 -3.225) 4.149 1.456 ( -3.501 0.000 0.772) 3.585 1.588 ( -1.845 0.000 1.504) 2.380 1.680 ( 2.877 0.000 -0.046) 2.878 1.694 ( -9.236 0.000 4.767) 10.393 1.754 ( -2.822 0.000 2.465) 3.747 1.783 ( -0.853 0.000 2.299) 2.452 1.807 ( -1.323 0.000 1.242) 1.815 1.880 ( 0.037 0.000 -0.081) 0.089 1.907 ( 0.977 0.000 -0.789) 1.256 1.929 ( 0.954 0.000 3.194) 3.334 1.970 ( 8.712 0.000 -10.592) 13.714 2.055 ( 0.571 0.000 -3.445) 3.492 2.068 ( -1.484 0.000 -6.204) 6.379 2.180 ( 1.483 0.000 -0.633) 1.612 2.193 ( -2.890 0.000 -4.582) 5.417 2.302 ( -0.363 0.000 0.922) 0.991 2.331 ( -0.399 0.000 0.438) 0.592 2.369 ( 0.968 0.000 -1.465) 1.756 2.381 ( -4.647 0.000 -3.510) 5.823 2.438 ( 3.456 0.000 2.323) 4.164 2.499 ( 7.560 0.000 -2.455) 7.948 2.591 ( 0.508 0.000 -0.862) 1.000 2.646 ( 3.257 0.000 0.299) 3.271 2.655 ( 2.497 0.000 2.234) 3.350 2.771 ( 3.503 0.000 -5.158) 6.235 2.853 ( -0.181 0.000 2.930) 2.935 2.878 ( -0.158 0.000 -0.334) 0.369 2.951 ( -3.383 0.000 5.421) 6.390 3.078 ( 1.332 0.000 0.901) 1.609 3.113 ( 1.298 0.000 -0.462) 1.378 3.164 ( -6.108 0.000 -1.201) 6.225 3.279 ( -2.910 0.000 2.218) 3.659 3.447 ( 9.939 0.000 9.899) 14.027 3.821 ( 0.364 0.000 -0.907) 0.977 3.833 ( 0.399 0.000 4.676) 4.693 3.998 ( 4.193 0.000 0.215) 4.198 4.030 ( 2.035 0.000 2.278) 3.055 4.387 ( 8.677 0.000 -2.288) 8.973 4.414 ( -1.765 0.000 -5.444) 5.723 4.653 ( 1.418 0.000 -0.289) 1.447 4.712 ( 2.734 0.000 -1.338) 3.044 4.818 ( 7.336 0.000 9.343) 11.879 4.946 ( -0.689 0.000 1.495) 1.646 5.367 ( 2.729 0.000 5.474) 6.117 5.384 ( 12.762 0.000 -2.346) 12.976 5.389 ( 2.857 0.000 -2.445) 3.761 5.726 ( -6.764 0.000 -5.290) 8.587 5.815 ( -7.042 0.000 3.461) 7.847 6.276 ( -7.736 0.000 -9.083) 11.930 6.476 ( 11.446 0.000 10.384) 15.454 6.532 ( -3.347 0.000 -4.072) 5.271 6.887 ( -10.099 0.000 -0.680) 10.122 7.057 ( -1.983 0.000 -0.457) 2.036 7.542 ( -1.449 0.000 -2.171) 2.610 7.642 ( 0.161 0.000 2.627) 2.632 11.685 ( 2.356 0.000 -2.035) 3.114 11.690 ( 1.690 0.000 -1.689) 2.390 11.952 ( -6.273 0.000 2.494) 6.750 12.570 ( 11.423 0.000 1.962) 11.590 13.073 ( -22.328 0.000 -21.414) 30.937 13.254 ( 0.860 0.000 6.738) 6.793 13.892 ( -3.601 0.000 2.724) 4.515 13.978 ( -2.109 0.000 -2.399) 3.194 15.017 ( -0.582 0.000 3.884) 3.928 15.247 ( 0.295 0.000 -2.957) 2.971 15.277 ( 11.536 0.000 14.191) 18.289 15.408 ( 1.006 0.000 -2.834) 3.007 16.060 ( 2.614 0.000 2.925) 3.923 16.136 ( -0.067 0.000 -3.478) 3.478 16.462 ( -3.240 0.000 -0.452) 3.272 16.486 ( -3.210 0.000 4.820) 5.791 ======================= Grid point 55 (23/56) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( -0.742 6.902 13.379) 15.073 0.463 ( -0.744 10.326 11.500) 15.474 0.783 ( 5.245 12.717 18.415) 22.985 0.985 ( -2.417 4.933 -7.420) 9.232 1.023 ( 9.278 2.664 -5.651) 11.185 1.111 ( -0.664 0.515 -0.689) 1.086 1.140 ( -5.906 3.155 -5.074) 8.401 1.238 ( -0.382 -0.071 -0.089) 0.399 1.263 ( -0.391 -0.365 -2.159) 2.224 1.305 ( -0.062 -1.396 -2.145) 2.560 1.349 ( -1.518 0.352 3.906) 4.206 1.409 ( -0.378 3.445 -1.182) 3.662 1.464 ( 0.439 1.122 1.588) 1.993 1.501 ( 2.907 2.489 2.558) 4.603 1.545 ( -3.577 -2.012 2.680) 4.901 1.567 ( 0.684 3.574 3.049) 4.747 1.672 ( -0.330 -0.117 2.556) 2.580 1.727 ( 2.322 -1.188 1.781) 3.158 1.740 ( 0.350 1.089 -3.972) 4.133 1.847 ( -2.021 1.681 -0.813) 2.752 1.905 ( 1.720 -1.446 -5.017) 5.497 1.928 ( -4.551 -0.498 3.206) 5.589 1.963 ( 3.132 2.126 2.737) 4.671 1.994 ( 0.449 -1.116 -1.947) 2.289 2.089 ( 2.451 -2.276 -4.946) 5.971 2.103 ( -1.179 -1.483 -5.039) 5.383 2.124 ( 1.679 -0.124 -3.344) 3.743 2.176 ( -1.921 1.313 -6.584) 6.983 2.268 ( -0.135 -0.236 -1.363) 1.389 2.283 ( 1.881 -2.115 -0.414) 2.860 2.330 ( -1.939 -0.154 -4.474) 4.879 2.365 ( 0.806 -0.783 -1.439) 1.826 2.471 ( -0.451 -1.884 2.205) 2.935 2.545 ( -1.762 -1.403 4.025) 4.613 2.581 ( -1.087 -1.685 -1.387) 2.438 2.641 ( -1.482 -2.922 0.247) 3.286 2.686 ( -2.523 1.958 0.770) 3.286 2.786 ( 1.766 -1.766 0.317) 2.517 2.847 ( 0.571 -0.096 3.618) 3.664 2.890 ( -0.527 1.856 0.606) 2.023 2.966 ( -2.916 -1.493 1.841) 3.758 3.039 ( 5.006 3.094 3.288) 6.741 3.098 ( 1.492 -0.796 1.308) 2.138 3.190 ( 0.393 2.855 -0.009) 2.882 3.243 ( 0.014 -2.322 7.925) 8.258 3.593 ( -3.099 -2.597 -6.851) 7.956 3.752 ( 1.028 -3.181 0.372) 3.364 3.767 ( 1.309 -5.511 1.074) 5.765 4.044 ( 0.758 -3.480 -0.177) 3.566 4.098 ( 0.930 -0.640 0.318) 1.173 4.394 ( -2.404 2.769 -1.699) 4.041 4.519 ( -0.670 0.446 -5.502) 5.560 4.665 ( -0.293 1.648 0.402) 1.722 4.742 ( 0.133 1.200 -1.857) 2.215 4.940 ( 1.882 6.777 5.675) 9.037 4.966 ( -2.013 0.636 2.190) 3.042 5.365 ( -1.856 -3.439 3.052) 4.959 5.392 ( 0.377 -3.481 1.436) 3.785 5.585 ( 3.878 -0.345 -0.493) 3.924 5.615 ( -7.207 1.183 -2.503) 7.721 5.726 ( 0.968 1.774 4.819) 5.225 6.085 ( -6.223 -10.365 1.073) 12.137 6.140 ( 10.529 -8.963 7.805) 15.878 6.599 ( -4.719 -6.559 -6.749) 10.528 6.939 ( 4.539 -0.123 5.188) 6.895 7.054 ( 2.499 6.816 -2.866) 7.805 7.427 ( -0.898 5.959 9.707) 11.426 7.967 ( -2.701 12.155 -18.487) 22.290 11.711 ( -1.675 -1.511 -0.378) 2.287 11.725 ( 0.457 -1.357 -0.829) 1.654 11.856 ( 1.908 -1.251 2.863) 3.661 11.955 ( -12.558 -4.830 1.459) 13.534 13.094 ( 5.952 -6.751 8.595) 12.445 13.372 ( 7.339 -5.426 -4.284) 10.083 13.853 ( -0.672 1.470 2.014) 2.582 13.961 ( 0.183 0.074 -1.953) 1.963 15.033 ( -0.225 1.329 3.963) 4.186 15.091 ( -0.561 -2.282 5.589) 6.063 15.450 ( 0.144 3.160 -1.613) 3.551 15.736 ( -5.046 9.701 -16.494) 19.789 16.118 ( 1.663 -0.529 4.522) 4.847 16.323 ( 2.569 -3.495 -2.311) 4.915 16.431 ( -4.268 2.024 1.104) 4.851 16.483 ( 13.042 2.095 -0.637) 13.224 ======================= Grid point 56 (24/56) ======================= q-point: ( 0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 3.969 5.417 9.590) 11.707 0.561 ( 5.964 9.268 9.741) 14.709 0.909 ( -7.618 1.825 -8.942) 11.888 0.970 ( -0.086 5.802 -8.515) 10.305 1.025 ( 4.693 1.509 9.544) 10.742 1.127 ( 1.120 0.786 1.136) 1.778 1.183 ( 5.032 4.122 2.379) 6.926 1.188 ( -0.964 1.128 1.718) 2.270 1.247 ( -1.118 0.901 -2.518) 2.899 1.310 ( 5.154 3.297 1.786) 6.373 1.382 ( -0.265 1.137 -1.343) 1.780 1.404 ( -0.683 1.891 0.240) 2.024 1.448 ( -3.391 -1.002 3.171) 4.750 1.477 ( 0.080 0.884 0.193) 0.908 1.484 ( -1.137 3.085 0.433) 3.316 1.652 ( 3.177 0.167 -1.235) 3.412 1.703 ( -0.450 3.886 4.588) 6.029 1.731 ( -1.414 -1.835 1.045) 2.541 1.772 ( 3.197 0.932 -0.687) 3.400 1.840 ( 1.747 -1.775 0.308) 2.509 1.867 ( 1.864 -3.076 0.901) 3.708 1.956 ( 3.631 1.701 -4.460) 5.998 1.971 ( -0.924 -2.140 -3.266) 4.012 2.026 ( 1.555 0.313 3.014) 3.406 2.042 ( -4.002 -2.143 -6.073) 7.582 2.105 ( 0.885 -0.085 -3.394) 3.509 2.109 ( -1.265 1.832 -3.186) 3.887 2.168 ( 0.254 -0.097 -2.840) 2.853 2.265 ( -3.094 2.121 -1.675) 4.108 2.294 ( 2.822 -0.371 -1.361) 3.155 2.344 ( 2.290 -3.019 -2.311) 4.438 2.387 ( -1.768 -0.243 1.332) 2.227 2.444 ( -1.040 -2.611 -0.920) 2.957 2.497 ( -3.898 -1.604 2.786) 5.052 2.546 ( -0.858 0.233 1.501) 1.744 2.579 ( -3.854 -0.030 -0.477) 3.884 2.610 ( -3.907 0.151 -2.201) 4.487 2.796 ( -1.596 0.442 0.000) 1.656 2.836 ( -2.379 0.326 0.399) 2.434 2.888 ( 0.971 -0.666 3.025) 3.246 2.938 ( 0.306 -2.870 2.159) 3.605 3.098 ( -2.195 -1.581 0.187) 2.711 3.147 ( 3.693 1.484 2.381) 4.637 3.171 ( -0.900 1.489 -1.429) 2.251 3.289 ( 1.848 -2.505 8.642) 9.185 3.453 ( -5.276 1.823 -2.326) 6.047 3.772 ( 0.639 -6.933 0.498) 6.980 3.800 ( 0.901 -3.987 0.527) 4.121 3.984 ( -4.537 -1.774 0.741) 4.927 4.102 ( -1.312 0.975 1.240) 2.051 4.348 ( -2.189 0.433 -0.896) 2.405 4.398 ( -8.419 3.059 -4.831) 10.177 4.655 ( -1.698 -1.962 0.324) 2.615 4.670 ( -5.407 2.060 -0.179) 5.789 4.886 ( -4.150 1.812 2.843) 5.347 4.984 ( 2.314 2.750 3.790) 5.223 5.230 ( -10.202 0.871 2.888) 10.639 5.332 ( -6.328 -1.073 -0.042) 6.419 5.525 ( -0.011 3.305 3.970) 5.166 5.711 ( 9.103 -2.375 -3.136) 9.917 5.872 ( 8.309 2.472 3.372) 9.302 5.983 ( -5.806 0.507 -7.022) 9.126 6.299 ( 4.832 -18.310 6.141) 19.907 6.652 ( 3.852 -10.046 -4.037) 11.492 6.929 ( 1.150 0.896 -0.126) 1.463 7.205 ( 7.135 5.556 -3.786) 9.803 7.454 ( 1.591 7.142 11.042) 13.246 7.844 ( -3.464 12.280 -10.501) 16.525 11.641 ( -1.259 0.384 -1.837) 2.260 11.698 ( -1.110 -0.667 -1.205) 1.769 11.949 ( 4.723 -1.637 3.202) 5.937 11.989 ( 6.922 -1.733 5.172) 8.813 13.100 ( -3.068 -2.634 -0.023) 4.044 13.529 ( 5.621 -15.595 -7.007) 17.998 13.881 ( 2.710 0.086 2.340) 3.582 14.001 ( 3.405 -0.376 -2.324) 4.139 15.038 ( -0.038 0.837 4.389) 4.468 15.084 ( -0.995 -1.363 5.138) 5.408 15.435 ( -1.323 3.148 -1.649) 3.792 15.555 ( -7.705 10.626 -7.488) 15.111 16.115 ( -2.777 -0.378 2.964) 4.079 16.262 ( -3.827 -2.238 -4.322) 6.191 16.397 ( 1.382 1.880 0.229) 2.344 16.675 ( 2.791 -2.136 -0.009) 3.514 ======================= Grid point 57 (25/56) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 7.999 3.561 3.231) 9.333 0.647 ( 2.135 4.479 -1.966) 5.337 0.802 ( 1.681 5.863 -3.097) 6.841 0.967 ( -1.935 1.711 -4.332) 5.043 1.015 ( 1.095 1.918 1.199) 2.513 1.137 ( -0.289 3.138 1.260) 3.393 1.154 ( -8.041 2.550 -3.114) 8.992 1.212 ( 2.768 1.458 -0.790) 3.226 1.266 ( -4.818 -1.202 3.319) 5.973 1.309 ( -0.103 1.514 -1.544) 2.165 1.371 ( 1.500 2.443 -1.785) 3.377 1.405 ( 0.654 -1.423 -0.427) 1.623 1.473 ( 4.277 2.743 0.286) 5.089 1.507 ( 3.559 0.611 1.158) 3.792 1.613 ( 7.695 3.052 6.483) 10.515 1.639 ( -2.289 0.288 0.024) 2.307 1.684 ( 0.864 0.811 1.871) 2.215 1.775 ( 3.620 -2.094 0.895) 4.277 1.811 ( -0.259 2.044 -0.014) 2.061 1.881 ( -2.009 -2.224 -0.571) 3.051 1.906 ( -1.819 -3.161 -0.629) 3.701 1.924 ( 0.809 -1.939 1.704) 2.705 1.998 ( 1.165 -0.039 -2.642) 2.888 2.038 ( 3.082 0.257 -2.345) 3.881 2.045 ( -1.037 -0.015 -0.714) 1.259 2.077 ( -1.701 3.073 -1.717) 3.910 2.101 ( -0.019 1.970 4.163) 4.605 2.170 ( 1.210 -1.458 -1.539) 2.441 2.201 ( 0.156 0.681 -0.374) 0.792 2.305 ( -6.023 0.485 4.151) 7.331 2.328 ( -5.898 -1.210 0.168) 6.023 2.349 ( -1.911 -0.033 -2.772) 3.368 2.410 ( 2.006 -0.346 -1.141) 2.334 2.413 ( 1.760 1.788 -3.134) 4.015 2.509 ( -3.609 0.227 -2.739) 4.536 2.523 ( -1.165 -0.958 -4.139) 4.405 2.607 ( 2.412 -2.602 -1.784) 3.971 2.752 ( -2.168 2.916 -1.210) 3.830 2.784 ( -1.116 -2.263 1.922) 3.172 2.906 ( -0.534 -2.376 2.121) 3.230 2.954 ( -1.104 -3.082 3.319) 4.662 3.055 ( 0.862 -0.807 1.119) 1.627 3.141 ( -0.603 -0.376 -2.755) 2.845 3.238 ( 3.516 -1.552 0.619) 3.893 3.317 ( -0.958 -1.851 5.911) 6.268 3.393 ( -1.758 1.303 0.281) 2.206 3.755 ( -2.615 -8.015 0.932) 8.482 3.793 ( -1.179 -3.692 -2.270) 4.492 3.898 ( -3.356 -1.411 0.455) 3.669 4.056 ( -3.007 3.102 -0.062) 4.321 4.234 ( -4.666 2.929 2.224) 5.941 4.319 ( -0.780 -2.801 -2.777) 4.021 4.576 ( -2.266 -0.482 0.773) 2.442 4.612 ( -2.425 -0.564 0.203) 2.498 4.793 ( -5.148 1.985 5.289) 7.643 5.023 ( -1.949 1.292 -2.557) 3.465 5.109 ( -0.843 -1.043 3.533) 3.779 5.216 ( -1.762 5.735 -0.836) 6.058 5.557 ( 0.351 1.119 4.740) 4.883 5.697 ( -6.815 -0.971 -8.878) 11.234 5.999 ( 6.319 -0.479 6.632) 9.173 6.036 ( 6.727 0.899 1.300) 6.910 6.404 ( 3.718 -12.195 -1.176) 12.803 6.608 ( -3.817 -2.452 -2.754) 5.307 7.017 ( 4.176 -1.808 0.139) 4.553 7.286 ( 1.872 5.686 -5.285) 7.986 7.523 ( 2.673 5.104 7.863) 9.748 7.800 ( -0.186 8.473 -4.994) 9.837 11.644 ( 1.338 0.380 -3.423) 3.695 11.691 ( 0.356 -0.168 -1.983) 2.022 12.046 ( 3.613 -1.693 4.763) 6.213 12.099 ( 2.054 -2.628 6.633) 7.425 13.065 ( 0.499 -1.179 -0.254) 1.305 13.572 ( 0.793 -13.369 -10.602) 17.081 13.935 ( 1.447 -1.461 3.161) 3.771 14.064 ( 2.713 -0.141 -3.055) 4.088 15.046 ( -0.165 1.202 4.866) 5.015 15.075 ( -0.731 -0.937 5.213) 5.347 15.382 ( -2.834 8.105 -3.626) 9.321 15.442 ( -2.274 2.765 -3.114) 4.745 16.056 ( -2.424 0.519 0.245) 2.491 16.189 ( -2.228 -2.158 -4.582) 5.533 16.452 ( 2.871 1.526 2.375) 4.027 16.671 ( -2.023 -0.161 1.423) 2.479 ======================= Grid point 58 (26/56) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -1.104 6.792 -0.054) 6.881 0.779 ( -6.194 0.035 -9.799) 11.592 0.816 ( 3.770 2.510 -2.682) 5.264 0.943 ( -0.518 1.426 -0.231) 1.535 1.010 ( 1.621 3.481 3.330) 5.083 1.115 ( 3.904 2.615 -1.189) 4.847 1.128 ( -2.890 2.400 3.439) 5.093 1.157 ( 2.472 1.737 0.662) 3.092 1.276 ( -1.683 3.993 -2.886) 5.206 1.340 ( 1.356 1.804 0.519) 2.316 1.373 ( 1.386 0.303 -3.355) 3.643 1.404 ( 1.251 -0.319 -4.375) 4.562 1.550 ( 0.455 -0.370 1.954) 2.040 1.568 ( 1.413 1.912 1.677) 2.909 1.608 ( -0.627 0.495 2.649) 2.766 1.653 ( 0.785 1.254 1.530) 2.129 1.727 ( -5.880 2.524 2.771) 6.973 1.776 ( -4.723 -0.989 0.291) 4.834 1.792 ( -0.112 -0.772 -4.074) 4.148 1.821 ( -1.216 -1.266 0.276) 1.777 1.877 ( 0.080 -1.083 1.677) 1.998 1.958 ( -1.416 -2.281 0.490) 2.729 1.972 ( -2.415 1.771 1.451) 3.328 1.986 ( 2.259 -2.029 0.374) 3.059 2.069 ( -2.007 -1.575 1.574) 2.998 2.082 ( 0.527 -1.274 -0.127) 1.384 2.116 ( 2.816 3.225 2.604) 5.011 2.196 ( 1.533 -1.894 1.022) 2.643 2.204 ( -2.319 1.377 4.213) 5.002 2.252 ( 3.549 -1.505 0.695) 3.917 2.254 ( -1.706 1.787 -2.946) 3.845 2.386 ( 5.751 -0.998 -2.012) 6.174 2.437 ( 0.893 1.445 -1.001) 1.972 2.457 ( 0.919 -0.637 -2.667) 2.892 2.478 ( 0.746 -0.098 -1.868) 2.014 2.527 ( 2.295 1.098 -3.419) 4.262 2.577 ( -2.458 -0.843 -4.846) 5.499 2.713 ( -0.740 3.117 -3.184) 4.517 2.821 ( 2.103 -2.167 3.259) 4.443 2.881 ( -1.272 -3.799 1.070) 4.147 2.947 ( 1.231 -0.527 0.493) 1.427 3.080 ( -1.698 -2.628 -3.055) 4.373 3.135 ( 1.249 -1.364 5.693) 5.986 3.259 ( -3.899 -1.523 2.308) 4.780 3.305 ( 0.787 -2.627 0.472) 2.783 3.348 ( -1.653 -0.215 0.051) 1.667 3.709 ( -1.111 -5.907 0.545) 6.036 3.772 ( 0.212 -3.889 -2.270) 4.508 3.874 ( 1.140 -1.741 1.368) 2.490 3.989 ( -2.531 4.030 -2.626) 5.435 4.200 ( -0.112 1.969 3.653) 4.152 4.341 ( 3.414 -5.112 -1.812) 6.408 4.562 ( 0.068 0.137 1.454) 1.462 4.588 ( 0.768 -1.134 -0.109) 1.374 4.731 ( -1.531 4.863 5.718) 7.661 4.993 ( 1.459 0.727 -4.275) 4.575 5.079 ( -2.558 -0.629 3.295) 4.218 5.223 ( 0.277 5.244 -1.922) 5.592 5.530 ( -3.725 -0.334 1.746) 4.127 5.648 ( 4.253 -2.865 -2.323) 5.629 6.051 ( -1.278 -0.822 5.000) 5.226 6.190 ( 6.012 1.771 5.053) 8.051 6.407 ( -3.261 -8.574 -3.758) 9.913 6.568 ( 0.430 -0.760 -3.324) 3.437 7.063 ( 0.308 -0.443 1.681) 1.765 7.268 ( -2.475 4.994 -6.340) 8.442 7.564 ( -0.673 2.673 6.181) 6.768 7.802 ( 1.324 8.377 -3.972) 9.365 11.664 ( 0.977 0.222 -3.141) 3.297 11.690 ( -0.152 0.167 -2.671) 2.681 12.091 ( -1.774 -2.901 5.678) 6.618 12.141 ( 3.331 -2.076 5.993) 7.164 13.109 ( 2.706 -1.724 3.478) 4.732 13.524 ( -3.520 -12.627 -14.424) 19.491 13.948 ( -0.718 -0.997 3.535) 3.742 14.090 ( 0.329 0.468 -3.102) 3.154 15.047 ( -0.634 1.592 5.035) 5.318 15.072 ( -0.610 -0.658 5.623) 5.695 15.352 ( 1.194 8.916 -3.457) 9.637 15.414 ( -0.126 0.748 -3.841) 3.915 16.025 ( -0.673 0.825 0.253) 1.094 16.153 ( -0.461 -2.538 -4.864) 5.506 16.508 ( 1.766 1.659 3.869) 4.565 16.617 ( -3.287 0.631 0.455) 3.378 ======================= Grid point 59 (27/56) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -10.719 3.731 -3.069) 11.757 0.623 ( -4.020 8.799 -2.801) 10.071 0.815 ( -2.336 2.140 -2.259) 3.891 0.983 ( 6.641 0.441 3.867) 7.698 1.046 ( -2.925 2.594 0.841) 3.999 1.110 ( 1.774 3.222 0.490) 3.711 1.191 ( 0.809 2.884 -1.748) 3.468 1.228 ( 1.156 2.502 -3.040) 4.103 1.281 ( 2.410 3.276 1.112) 4.216 1.325 ( 1.718 1.036 -1.871) 2.744 1.337 ( -3.997 1.357 2.755) 5.040 1.398 ( -6.671 6.096 0.104) 9.038 1.493 ( -4.287 -0.727 0.914) 4.444 1.554 ( -3.397 0.222 -1.874) 3.886 1.581 ( -0.654 0.721 2.534) 2.714 1.630 ( 2.544 0.688 0.470) 2.677 1.706 ( 1.626 -2.886 1.745) 3.744 1.757 ( 3.380 -1.045 -5.316) 6.386 1.791 ( 0.474 0.377 1.561) 1.674 1.803 ( -1.772 -0.234 1.512) 2.341 1.841 ( -2.452 -1.605 0.562) 2.984 1.898 ( -1.092 0.056 -0.181) 1.108 1.932 ( -2.103 -3.026 1.069) 3.837 2.015 ( -3.042 1.448 1.553) 3.710 2.049 ( -1.548 -1.706 -2.013) 3.059 2.121 ( 4.821 -3.936 2.888) 6.861 2.168 ( 0.174 0.021 -2.783) 2.788 2.173 ( -2.434 1.901 -2.016) 3.688 2.232 ( 3.956 1.005 2.109) 4.595 2.278 ( 3.859 -2.011 1.085) 4.485 2.336 ( 0.664 0.708 -2.577) 2.754 2.393 ( 1.729 -0.333 -1.268) 2.170 2.440 ( -0.524 1.466 -0.187) 1.568 2.505 ( 0.602 2.883 -3.985) 4.955 2.533 ( 3.114 -0.877 -2.763) 4.254 2.558 ( 4.781 0.118 -0.396) 4.798 2.604 ( 2.794 0.361 3.369) 4.392 2.714 ( 1.691 0.667 -6.407) 6.660 2.835 ( -0.776 -0.978 -1.589) 2.021 2.878 ( 1.392 -1.447 1.700) 2.632 2.985 ( -1.607 -2.645 0.698) 3.172 3.029 ( 0.531 -0.298 0.505) 0.791 3.150 ( -2.422 -5.512 6.414) 8.797 3.166 ( -3.673 0.155 -0.529) 3.714 3.269 ( -1.771 -2.084 3.687) 4.591 3.397 ( 4.402 2.337 1.144) 5.114 3.713 ( 0.987 -5.174 0.014) 5.268 3.776 ( -0.324 -4.882 -1.045) 5.003 3.927 ( 2.737 -3.787 2.609) 5.352 3.977 ( 2.284 3.073 -2.729) 4.702 4.254 ( 5.427 3.060 1.146) 6.335 4.435 ( 5.422 -2.024 -2.819) 6.437 4.581 ( 1.647 -2.164 1.245) 2.991 4.641 ( 3.808 0.599 1.248) 4.052 4.739 ( 1.012 5.865 3.940) 7.138 4.986 ( -2.118 0.583 0.019) 2.197 5.141 ( 9.299 0.333 -0.195) 9.307 5.256 ( 3.668 1.184 2.429) 4.556 5.428 ( -5.019 -1.508 -1.385) 5.420 5.769 ( 4.825 -3.838 -2.181) 6.540 5.981 ( -6.189 1.049 4.178) 7.540 6.218 ( -7.334 -3.992 -3.204) 8.943 6.352 ( 1.601 -3.781 8.457) 9.401 6.577 ( 1.625 -0.858 -7.960) 8.170 7.034 ( -4.335 -0.673 2.606) 5.103 7.172 ( -4.713 4.448 -5.324) 8.387 7.521 ( -3.847 2.173 5.393) 6.972 7.845 ( 3.630 10.295 -4.127) 11.671 11.668 ( 0.008 -0.069 -2.424) 2.425 11.682 ( 0.160 0.373 -2.878) 2.907 12.031 ( -4.590 -2.944 3.553) 6.509 12.246 ( 5.020 -5.258 8.954) 11.533 13.159 ( 0.055 -3.791 4.052) 5.549 13.363 ( -8.210 -10.578 -16.900) 21.562 13.923 ( -2.174 -0.385 3.328) 3.994 14.066 ( -2.045 0.747 -2.962) 3.676 15.040 ( -0.853 1.566 4.081) 4.454 15.074 ( -0.252 -1.077 6.656) 6.747 15.415 ( 1.878 2.889 -3.333) 4.794 15.435 ( 6.727 11.150 -3.826) 13.572 16.028 ( 0.898 0.882 1.156) 1.709 16.140 ( -0.242 -2.472 -5.525) 6.058 16.528 ( -1.561 0.655 3.617) 3.993 16.548 ( -2.475 1.778 0.853) 3.164 ======================= Grid point 60 (28/56) ======================= q-point: (-0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( 0.278 10.325 6.756) 12.343 0.516 ( -5.713 12.057 6.049) 14.649 0.831 ( 1.577 2.313 1.281) 3.078 0.910 ( -7.137 7.604 6.776) 12.436 1.085 ( -5.348 2.381 -1.124) 5.961 1.144 ( 1.980 1.071 -3.229) 3.937 1.164 ( 0.212 4.241 -3.131) 5.276 1.213 ( 4.027 2.403 1.835) 5.036 1.252 ( -1.716 2.857 0.581) 3.383 1.298 ( 0.869 -0.270 -0.646) 1.116 1.338 ( -0.050 1.665 -1.932) 2.551 1.407 ( 3.327 2.438 0.832) 4.207 1.455 ( -1.565 0.714 0.391) 1.764 1.488 ( -2.441 1.818 -3.878) 4.930 1.565 ( -1.047 -1.190 3.393) 3.745 1.650 ( -2.609 -0.461 2.074) 3.364 1.700 ( -1.340 -3.632 -0.204) 3.877 1.714 ( -3.532 -0.757 5.621) 6.681 1.762 ( -2.493 -0.667 -0.148) 2.585 1.838 ( 2.415 1.602 1.374) 3.207 1.890 ( 1.482 -1.132 -2.577) 3.181 1.911 ( 1.765 0.452 0.575) 1.911 1.937 ( 5.128 0.126 -4.558) 6.862 1.984 ( 1.229 0.545 0.498) 1.434 2.009 ( -0.884 -0.029 -3.061) 3.186 2.119 ( -1.243 3.335 -3.461) 4.965 2.168 ( -0.167 -4.268 1.525) 4.536 2.171 ( -0.415 1.168 -6.922) 7.032 2.278 ( -0.592 -6.279 -2.564) 6.808 2.322 ( -0.845 0.454 -1.412) 1.707 2.342 ( 3.406 -1.039 0.390) 3.582 2.393 ( -3.476 1.250 0.602) 3.743 2.449 ( -0.437 1.718 -1.906) 2.603 2.537 ( 4.693 1.376 -2.636) 5.556 2.574 ( 0.922 -0.849 -1.019) 1.616 2.635 ( 2.150 -1.887 -0.002) 2.861 2.679 ( 2.561 2.011 2.489) 4.098 2.744 ( 2.024 -2.215 -1.002) 3.164 2.833 ( 0.940 -0.284 -2.380) 2.575 2.898 ( -1.648 -1.080 2.283) 3.016 2.948 ( 1.839 0.339 5.315) 5.634 3.034 ( -2.451 -1.716 1.853) 3.519 3.090 ( -1.767 -2.128 1.586) 3.188 3.153 ( 1.828 1.833 -0.336) 2.611 3.255 ( -1.339 -2.012 6.705) 7.128 3.522 ( 7.305 2.670 -0.696) 7.809 3.736 ( 1.177 -4.611 0.259) 4.765 3.759 ( -0.954 -5.277 1.495) 5.567 3.985 ( 2.682 -5.011 3.219) 6.532 4.047 ( 3.977 0.742 -2.061) 4.541 4.394 ( 5.452 2.698 -1.465) 6.257 4.500 ( 1.646 1.976 -5.621) 6.182 4.634 ( 2.997 0.429 1.265) 3.281 4.715 ( 1.936 1.318 -2.618) 3.513 4.816 ( 6.550 1.911 6.601) 9.493 4.970 ( 0.219 0.928 3.107) 3.250 5.342 ( 3.666 -2.702 3.058) 5.485 5.365 ( 3.663 -1.556 -0.495) 4.011 5.396 ( 8.520 0.784 0.333) 8.563 5.761 ( -5.356 3.132 -4.855) 7.878 5.855 ( -5.635 3.567 3.826) 7.689 6.011 ( -7.996 -18.759 4.779) 20.945 6.321 ( -8.152 -2.571 -2.914) 9.031 6.664 ( 6.613 -1.451 -2.478) 7.209 6.877 ( -8.214 0.312 1.248) 8.314 7.094 ( -2.805 3.669 -0.738) 4.677 7.454 ( -3.202 3.717 6.806) 8.390 7.938 ( 6.105 11.634 -9.755) 16.364 11.680 ( 2.047 -0.383 -1.616) 2.636 11.690 ( 1.243 -0.101 -1.901) 2.274 11.924 ( -5.875 -2.477 2.540) 6.863 12.297 ( -7.228 -17.709 3.780) 19.497 13.011 ( -7.146 -2.082 -2.677) 7.910 13.295 ( 2.253 -1.518 -1.986) 3.365 13.881 ( -2.171 0.332 2.607) 3.409 14.003 ( -3.090 0.642 -2.595) 4.086 15.033 ( -0.488 1.614 3.659) 4.029 15.085 ( -0.079 -2.190 6.601) 6.955 15.438 ( 1.249 3.028 -2.827) 4.326 15.658 ( 14.087 14.847 -9.301) 22.481 16.072 ( 2.717 0.958 1.479) 3.239 16.129 ( 2.220 -0.181 -0.357) 2.256 16.462 ( -3.280 0.373 -0.725) 3.380 16.512 ( -3.204 1.918 3.980) 5.458 ======================= Grid point 61 (29/56) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -3.075 10.367 10.043) 14.758 0.686 ( 1.236 11.385 7.396) 13.633 0.995 ( 4.343 6.299 -1.305) 7.762 1.062 ( -1.788 1.496 -2.370) 3.324 1.117 ( 0.141 3.171 1.829) 3.663 1.156 ( 2.757 7.463 -3.330) 8.625 1.207 ( -0.717 -2.235 -2.653) 3.542 1.227 ( -3.333 4.067 -4.269) 6.773 1.283 ( 0.150 1.592 -0.984) 1.877 1.289 ( 1.797 1.993 -0.732) 2.781 1.359 ( -2.714 0.958 5.479) 6.189 1.450 ( 0.101 -5.612 1.555) 5.824 1.456 ( -1.464 -0.213 2.287) 2.724 1.520 ( -2.124 1.556 1.668) 3.117 1.535 ( 1.378 0.494 1.945) 2.434 1.602 ( -0.445 2.282 0.871) 2.483 1.691 ( 1.810 -1.128 0.656) 2.232 1.731 ( 2.867 3.214 3.530) 5.568 1.783 ( 3.267 1.562 -4.278) 5.605 1.823 ( -2.915 -1.287 -1.538) 3.538 1.917 ( -1.239 1.579 1.994) 2.829 1.935 ( -0.480 -1.101 1.425) 1.863 1.970 ( 0.324 -1.407 -2.490) 2.879 2.012 ( 0.642 0.276 -2.143) 2.254 2.017 ( 0.579 2.274 -2.308) 3.292 2.081 ( -0.016 -0.825 -0.165) 0.841 2.157 ( 1.809 0.507 -3.976) 4.397 2.186 ( 2.299 0.307 -1.345) 2.681 2.226 ( 3.458 -2.600 -1.177) 4.484 2.278 ( -2.193 -0.235 -2.998) 3.722 2.297 ( -2.665 -2.368 -6.804) 7.681 2.347 ( -1.248 0.205 -1.465) 1.936 2.445 ( 2.164 -6.617 1.905) 7.217 2.483 ( -3.631 1.124 -1.579) 4.116 2.529 ( -3.690 -2.570 3.447) 5.666 2.614 ( -0.276 -0.891 -0.887) 1.287 2.737 ( -1.425 3.034 1.046) 3.512 2.772 ( 1.206 0.647 1.177) 1.805 2.848 ( 2.124 0.262 3.664) 4.243 2.927 ( -0.843 1.977 0.055) 2.150 2.959 ( -2.304 0.023 2.943) 3.737 3.077 ( 2.648 0.287 5.824) 6.404 3.102 ( 2.088 1.138 -1.883) 3.033 3.175 ( 0.614 -2.997 4.192) 5.190 3.238 ( -0.177 1.086 0.433) 1.183 3.507 ( -2.000 -5.514 -6.267) 8.583 3.668 ( -0.405 -3.744 0.425) 3.789 3.702 ( 1.224 -3.335 -0.262) 3.563 3.936 ( 1.070 -5.791 -0.136) 5.890 3.997 ( 1.123 -7.417 -0.495) 7.518 4.451 ( -1.801 2.463 1.411) 3.362 4.527 ( 1.457 0.100 -0.616) 1.585 4.721 ( -2.066 0.830 -3.101) 3.817 4.791 ( 0.226 6.040 -4.003) 7.250 4.957 ( -2.035 -1.702 4.426) 5.161 5.114 ( 2.062 8.767 2.759) 9.420 5.306 ( 1.614 -3.665 2.911) 4.951 5.339 ( 0.124 0.779 3.137) 3.235 5.513 ( -5.748 -3.670 6.080) 9.136 5.651 ( 6.827 0.396 -2.262) 7.203 5.771 ( 3.246 1.887 1.156) 3.929 5.921 ( -6.699 -4.244 6.920) 10.525 6.120 ( 0.532 1.792 -6.713) 6.968 6.478 ( -4.177 -6.038 -10.386) 12.719 6.945 ( 2.140 2.177 8.835) 9.348 7.142 ( 2.937 1.575 -0.150) 3.336 7.600 ( 0.080 9.968 5.052) 11.176 8.045 ( -1.060 -1.806 -12.100) 12.280 11.689 ( -1.311 -0.683 -0.701) 1.636 11.699 ( 0.249 -1.050 -0.721) 1.298 11.828 ( 2.068 -1.513 1.651) 3.048 11.874 ( -3.924 -3.544 1.292) 5.443 13.020 ( 2.350 -1.411 5.336) 5.999 13.236 ( 0.899 -7.489 -2.907) 8.084 13.887 ( -0.069 1.842 1.173) 2.185 13.958 ( -0.065 -0.378 -1.505) 1.553 15.064 ( -0.758 2.060 4.302) 4.830 15.106 ( 0.233 1.821 4.370) 4.740 15.532 ( -0.123 5.086 -2.959) 5.885 15.805 ( -2.610 -0.780 -13.346) 13.621 16.112 ( 0.980 0.119 4.002) 4.122 16.245 ( 1.161 -4.116 0.889) 4.369 16.472 ( -3.020 2.011 0.574) 3.674 16.512 ( 5.876 0.857 -0.674) 5.977 ======================= Grid point 62 (30/56) ======================= q-point: ( 0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 1.817 9.763 7.340) 12.349 0.768 ( 4.476 10.812 6.741) 13.505 0.960 ( -6.137 3.284 -5.207) 8.693 1.074 ( 1.869 2.986 2.676) 4.424 1.119 ( -1.947 6.795 -2.782) 7.596 1.148 ( 0.292 1.348 -4.098) 4.324 1.183 ( 1.978 -0.991 -1.921) 2.930 1.239 ( 0.382 2.174 0.739) 2.328 1.268 ( -2.108 0.004 -0.308) 2.130 1.336 ( 1.180 0.123 2.949) 3.179 1.369 ( 2.389 0.387 0.744) 2.532 1.408 ( -1.589 -1.726 1.076) 2.581 1.477 ( 2.123 -0.001 1.890) 2.842 1.525 ( 2.296 -0.683 -0.273) 2.412 1.566 ( -0.609 7.229 0.593) 7.278 1.631 ( 2.597 -1.834 -1.537) 3.531 1.722 ( 0.785 0.129 0.657) 1.032 1.735 ( -1.724 -0.154 -1.581) 2.345 1.808 ( 0.281 -0.304 1.663) 1.714 1.827 ( -1.726 2.682 2.457) 4.026 1.857 ( 0.280 1.121 -0.992) 1.523 1.900 ( 1.802 -1.233 -0.450) 2.230 1.972 ( -0.359 -0.074 0.394) 0.538 2.014 ( 0.509 2.299 -1.612) 2.854 2.074 ( 0.978 2.165 -1.195) 2.659 2.101 ( 2.533 -0.009 0.703) 2.628 2.171 ( -0.092 2.490 -3.025) 3.919 2.180 ( -1.808 0.869 -4.217) 4.670 2.246 ( 0.161 -4.547 -0.669) 4.599 2.272 ( 1.172 -2.262 -3.347) 4.206 2.308 ( 0.202 0.638 0.735) 0.994 2.367 ( 3.612 -3.898 -2.377) 5.821 2.390 ( -2.776 0.956 -1.901) 3.498 2.448 ( -3.187 -3.144 3.875) 5.922 2.516 ( 3.324 -4.436 0.387) 5.556 2.557 ( -4.367 -1.058 -1.541) 4.750 2.661 ( -5.921 4.694 0.084) 7.556 2.792 ( 0.297 0.085 1.259) 1.297 2.865 ( -1.864 0.726 1.070) 2.269 2.885 ( -2.430 0.824 1.264) 2.860 2.909 ( -2.314 0.834 2.067) 3.213 3.071 ( -2.141 -0.657 0.331) 2.264 3.177 ( 1.092 0.279 0.457) 1.217 3.191 ( -0.633 0.145 -0.002) 0.650 3.224 ( 1.403 -3.425 6.027) 7.072 3.422 ( -3.559 -4.110 -4.127) 6.826 3.646 ( -1.343 -4.898 0.441) 5.098 3.727 ( 0.211 -4.509 -0.558) 4.549 3.915 ( -2.321 -3.773 0.317) 4.441 4.025 ( 1.203 -6.604 -0.792) 6.759 4.402 ( -2.825 3.832 1.334) 4.944 4.500 ( -7.086 5.282 -1.774) 9.014 4.609 ( -4.490 -1.747 -1.218) 4.970 4.716 ( -6.541 2.329 -0.203) 6.947 4.915 ( -1.997 0.658 2.589) 3.335 5.038 ( -3.084 2.655 1.304) 4.273 5.213 ( -8.001 -1.845 -0.808) 8.250 5.359 ( -3.264 2.377 2.199) 4.598 5.554 ( 5.118 -0.270 7.678) 9.232 5.703 ( -0.973 1.434 0.350) 1.768 5.869 ( 5.108 -4.781 1.579) 7.172 5.942 ( 6.575 -2.007 -1.614) 7.061 6.127 ( 1.779 1.187 -0.942) 2.337 6.494 ( 4.967 -6.703 -6.094) 10.331 6.979 ( 1.802 4.402 3.031) 5.640 7.258 ( 6.007 -0.047 -0.451) 6.024 7.625 ( 1.166 9.237 6.304) 11.243 7.970 ( -2.894 1.130 -10.114) 10.580 11.652 ( -0.697 0.730 -1.385) 1.714 11.685 ( -0.447 -0.573 -0.756) 1.048 11.905 ( 4.366 -2.534 1.612) 5.299 11.937 ( 5.915 -3.263 2.394) 7.167 13.047 ( -0.621 -2.236 1.259) 2.640 13.256 ( 1.869 -11.069 -1.729) 11.358 13.908 ( 1.720 1.955 1.586) 3.049 13.990 ( 2.968 -0.685 -1.891) 3.585 15.058 ( -0.512 1.840 4.274) 4.682 15.111 ( -0.646 1.858 4.944) 5.321 15.505 ( -1.780 4.232 -2.877) 5.418 15.680 ( -6.297 2.409 -10.345) 12.348 16.110 ( -1.931 -0.046 3.209) 3.745 16.206 ( -3.167 -3.202 -1.288) 4.684 16.447 ( 0.923 3.115 -0.095) 3.250 16.628 ( 3.456 -2.558 0.857) 4.384 ======================= Grid point 63 (31/56) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 8.174 5.781 2.197) 10.250 0.787 ( -2.459 8.807 -3.728) 9.875 0.933 ( 1.340 6.383 1.704) 6.741 1.054 ( -1.874 6.166 -3.846) 7.505 1.072 ( -0.278 3.619 3.815) 5.266 1.167 ( 0.419 -0.271 -0.932) 1.057 1.194 ( -4.265 -1.878 1.865) 5.019 1.221 ( -0.898 2.316 1.624) 2.968 1.270 ( 2.525 2.993 -1.955) 4.376 1.326 ( -0.709 -0.458 -4.178) 4.262 1.373 ( -0.034 -1.425 0.233) 1.445 1.424 ( 1.389 1.806 1.432) 2.690 1.507 ( 3.144 0.540 0.192) 3.195 1.554 ( 1.505 3.709 -1.033) 4.133 1.609 ( 3.066 -1.475 -1.541) 3.736 1.656 ( -1.861 0.335 0.218) 1.904 1.694 ( 1.312 -0.484 -1.770) 2.256 1.758 ( 0.204 -5.377 -1.236) 5.521 1.780 ( 0.877 2.301 1.018) 2.664 1.856 ( -0.002 -1.710 -0.102) 1.713 1.903 ( 1.937 -0.523 1.620) 2.578 1.914 ( -1.511 1.926 1.261) 2.754 1.962 ( 0.243 -2.751 0.981) 2.931 2.017 ( -0.036 -0.464 0.298) 0.552 2.066 ( -3.644 -0.188 -0.509) 3.684 2.129 ( -2.279 2.656 0.939) 3.623 2.138 ( -1.371 -2.271 0.044) 2.653 2.142 ( 0.857 3.096 1.477) 3.536 2.228 ( 1.878 1.143 -0.095) 2.201 2.307 ( -2.348 -0.699 2.813) 3.730 2.315 ( 2.379 1.513 -0.394) 2.847 2.346 ( -1.483 0.808 -4.337) 4.654 2.420 ( 1.623 -0.443 1.100) 2.010 2.429 ( 0.099 0.680 -1.069) 1.271 2.514 ( -0.633 -1.178 -4.478) 4.674 2.528 ( -3.180 1.000 -0.319) 3.349 2.554 ( 0.589 -0.312 -1.611) 1.743 2.759 ( -2.574 0.164 0.977) 2.758 2.800 ( -2.371 0.813 -2.968) 3.885 2.850 ( -2.226 -2.736 2.993) 4.626 2.908 ( 1.714 -0.478 2.793) 3.312 3.034 ( -0.998 -1.186 -0.428) 1.608 3.120 ( -1.743 -1.692 -1.972) 3.129 3.230 ( 0.809 0.395 0.109) 0.906 3.256 ( -0.178 -4.377 5.140) 6.753 3.365 ( -2.171 -3.837 -0.370) 4.424 3.613 ( -1.830 -5.649 0.860) 6.000 3.704 ( -1.497 -5.636 -1.051) 5.925 3.859 ( -2.882 -1.296 -0.146) 3.163 4.030 ( -0.628 -4.965 -2.755) 5.713 4.316 ( -5.280 4.467 1.943) 7.184 4.345 ( -4.534 5.523 0.169) 7.147 4.540 ( -1.754 -3.020 -0.288) 3.504 4.608 ( -3.571 -0.227 1.438) 3.856 4.853 ( -3.433 4.010 1.682) 5.540 5.033 ( -1.634 -0.621 -1.717) 2.450 5.093 ( -1.199 0.022 2.266) 2.564 5.293 ( -0.803 0.330 -3.427) 3.535 5.590 ( -1.763 2.076 5.572) 6.202 5.663 ( -5.772 -2.011 -2.536) 6.618 5.962 ( 4.679 -2.674 7.168) 8.968 6.035 ( 5.126 -1.511 1.698) 5.607 6.271 ( 7.635 0.178 -2.996) 8.203 6.545 ( 0.662 -3.941 -2.346) 4.634 7.053 ( 4.152 4.866 0.031) 6.396 7.335 ( 1.532 -0.332 -3.378) 3.724 7.665 ( 1.297 8.237 6.027) 10.288 7.916 ( -0.684 2.666 -6.366) 6.935 11.657 ( 1.096 0.903 -1.985) 2.440 11.688 ( 0.662 -0.056 -1.200) 1.371 11.997 ( 3.630 -3.131 2.377) 5.351 12.028 ( 1.894 -4.178 3.352) 5.681 13.039 ( 0.644 -1.182 -0.269) 1.372 13.288 ( 0.955 -13.084 -3.285) 13.524 13.948 ( 1.407 1.856 2.127) 3.154 14.050 ( 2.699 -1.115 -2.324) 3.732 15.062 ( 0.052 1.356 4.604) 4.799 15.102 ( -1.098 1.692 5.576) 5.930 15.462 ( -1.405 2.985 -3.862) 5.079 15.542 ( -4.639 4.018 -7.601) 9.769 16.069 ( -1.863 0.725 1.080) 2.272 16.142 ( -2.389 -2.291 -1.788) 3.762 16.492 ( 2.581 2.498 1.423) 3.863 16.655 ( -0.557 -1.594 1.000) 1.962 ======================= Grid point 64 (32/56) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -2.639 7.000 -4.279) 8.618 0.803 ( -1.510 4.561 -6.775) 8.305 0.891 ( 2.151 4.173 2.675) 5.403 1.013 ( -2.772 4.834 0.948) 5.653 1.069 ( -2.225 2.579 3.027) 4.557 1.160 ( 1.044 3.217 -1.343) 3.639 1.212 ( 4.423 3.924 5.433) 8.029 1.223 ( 2.599 5.330 -1.998) 6.258 1.315 ( -0.818 -0.340 0.263) 0.924 1.319 ( 1.743 -2.842 -1.350) 3.597 1.402 ( 4.308 2.510 -5.116) 7.144 1.451 ( -0.173 3.745 -2.067) 4.281 1.553 ( -4.302 1.268 0.415) 4.504 1.586 ( 3.282 -0.595 0.651) 3.398 1.604 ( 2.146 -1.377 3.542) 4.364 1.652 ( -1.024 -1.655 0.724) 2.076 1.731 ( 1.803 -3.204 -1.826) 4.105 1.751 ( -6.605 -1.575 -1.970) 7.070 1.774 ( -1.867 -0.293 -2.282) 2.963 1.807 ( 1.056 -1.544 -0.165) 1.878 1.856 ( -1.909 -0.221 1.245) 2.290 1.899 ( -2.680 -2.471 0.482) 3.676 1.972 ( 2.096 0.807 1.566) 2.738 2.015 ( -3.263 0.923 -0.999) 3.535 2.028 ( -1.276 -1.041 3.573) 3.934 2.054 ( -3.519 -0.667 -0.060) 3.582 2.144 ( 3.920 -1.197 1.255) 4.286 2.183 ( -3.897 0.012 1.641) 4.228 2.219 ( 4.470 0.475 0.815) 4.569 2.274 ( 0.186 3.795 4.038) 5.545 2.324 ( 1.088 -0.768 -4.646) 4.833 2.356 ( -2.264 3.232 -0.602) 3.992 2.435 ( 1.977 0.734 -0.759) 2.242 2.468 ( 1.196 0.143 0.649) 1.368 2.489 ( 1.668 0.629 0.307) 1.809 2.545 ( 1.157 0.169 -4.816) 4.956 2.552 ( 1.483 0.328 -2.377) 2.821 2.754 ( 0.897 -1.072 0.972) 1.702 2.795 ( 1.875 -0.848 -1.041) 2.306 2.807 ( -1.031 -1.356 0.684) 1.836 2.946 ( 1.583 0.572 0.518) 1.761 3.020 ( -1.207 -2.955 -1.662) 3.599 3.103 ( -0.569 -1.892 2.590) 3.258 3.212 ( -3.186 -3.426 1.225) 4.836 3.250 ( -0.081 -2.508 0.740) 2.616 3.319 ( -0.851 -2.880 -0.187) 3.009 3.598 ( 0.519 -4.575 1.751) 4.926 3.698 ( 1.023 -4.272 -0.636) 4.438 3.813 ( -0.996 -2.556 0.191) 2.750 3.994 ( -1.669 -4.113 -4.641) 6.422 4.271 ( 0.370 4.550 2.278) 5.102 4.309 ( 1.482 3.269 0.960) 3.715 4.550 ( 0.989 -2.811 1.123) 3.184 4.561 ( 0.113 -0.626 1.007) 1.191 4.820 ( -0.042 3.667 2.262) 4.309 4.994 ( -0.350 -1.263 -4.754) 4.931 5.090 ( 0.409 2.520 4.062) 4.797 5.306 ( -0.455 1.977 -5.469) 5.833 5.523 ( -4.587 -0.495 1.165) 4.759 5.563 ( -0.931 -4.788 1.032) 4.986 6.040 ( 1.205 0.072 6.275) 6.390 6.166 ( 5.548 -4.096 8.377) 10.850 6.342 ( -0.611 2.470 -4.526) 5.192 6.539 ( 0.012 -1.981 -3.573) 4.085 7.110 ( 0.518 4.405 1.081) 4.565 7.310 ( -2.715 -0.149 -5.830) 6.433 7.681 ( -1.149 7.788 4.911) 9.279 7.917 ( 1.802 2.907 -4.467) 5.626 11.674 ( 0.621 0.757 -1.794) 2.044 11.694 ( 0.045 0.262 -1.672) 1.693 12.026 ( -1.851 -3.526 3.080) 5.035 12.068 ( 2.518 -4.765 3.107) 6.221 13.071 ( 1.804 -1.821 1.823) 3.145 13.261 ( -2.857 -11.949 -6.091) 13.713 13.964 ( -0.356 1.905 2.203) 2.934 14.079 ( 0.377 -1.324 -2.357) 2.729 15.071 ( -0.283 1.066 5.203) 5.319 15.090 ( -1.032 1.497 5.370) 5.669 15.444 ( 0.505 2.303 -4.856) 5.398 15.495 ( 2.107 4.759 -6.384) 8.236 16.046 ( -0.515 1.202 0.813) 1.540 16.106 ( -0.806 -1.972 -2.044) 2.952 16.540 ( 1.375 1.582 2.795) 3.494 16.623 ( -2.373 -0.208 -0.004) 2.382 ======================= Grid point 65 (33/56) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -6.012 7.824 -2.246) 10.120 0.815 ( 0.735 9.802 -2.471) 10.135 0.886 ( -5.551 5.030 1.395) 7.620 1.003 ( 4.679 1.308 4.070) 6.338 1.075 ( 1.752 -0.478 -0.456) 1.872 1.213 ( 2.126 6.089 1.310) 6.581 1.249 ( 0.333 3.169 1.493) 3.518 1.278 ( 0.570 1.344 -0.098) 1.463 1.304 ( 0.196 1.523 -2.348) 2.805 1.368 ( -3.779 1.115 -0.354) 3.956 1.405 ( 1.650 4.399 -0.016) 4.698 1.447 ( -0.813 1.015 -0.952) 1.612 1.493 ( 0.566 -1.186 -2.918) 3.200 1.547 ( -6.049 0.428 -1.813) 6.330 1.625 ( -2.320 -2.384 -1.342) 3.587 1.644 ( -0.048 3.722 -1.333) 3.953 1.665 ( 0.359 0.929 3.134) 3.288 1.740 ( 1.206 -1.291 -4.078) 4.444 1.774 ( -1.764 -3.298 1.557) 4.051 1.808 ( 1.916 -2.166 -0.474) 2.930 1.827 ( -0.783 2.239 1.388) 2.748 1.854 ( -0.623 -2.692 0.094) 2.765 1.911 ( -3.631 1.682 1.574) 4.300 2.010 ( 0.843 -3.839 2.863) 4.863 2.035 ( 0.988 -0.608 3.422) 3.613 2.056 ( 0.681 1.207 -0.846) 1.624 2.123 ( -0.781 -2.792 -1.351) 3.198 2.193 ( 1.847 0.066 -1.965) 2.698 2.278 ( -2.960 1.247 -0.955) 3.351 2.290 ( 1.033 2.304 1.943) 3.186 2.329 ( -1.350 -0.172 -1.859) 2.304 2.374 ( 4.834 -2.534 0.788) 5.515 2.449 ( 2.058 -0.249 -0.791) 2.219 2.507 ( 2.225 -1.525 0.470) 2.738 2.533 ( 1.170 -0.020 -4.082) 4.247 2.575 ( 3.118 -0.040 -2.202) 3.818 2.612 ( 3.053 2.672 3.257) 5.202 2.746 ( -0.587 1.785 -1.887) 2.663 2.808 ( 1.172 -2.149 -0.033) 2.448 2.863 ( 3.310 0.512 -3.426) 4.791 2.936 ( -3.730 -1.179 1.578) 4.218 3.018 ( 2.775 -0.537 -0.336) 2.846 3.089 ( -0.806 -1.231 5.494) 5.687 3.154 ( -1.878 -1.654 -0.182) 2.509 3.217 ( -1.994 -2.553 2.547) 4.120 3.390 ( 5.727 -3.148 -0.343) 6.544 3.628 ( 1.492 -2.987 1.612) 3.708 3.710 ( 0.227 -2.148 -2.761) 3.505 3.826 ( 1.536 -4.847 2.507) 5.669 3.966 ( 0.104 -4.208 -4.050) 5.841 4.342 ( 5.381 5.146 1.387) 7.573 4.399 ( 6.406 0.260 0.006) 6.411 4.556 ( 2.192 -1.177 -0.202) 2.496 4.643 ( 5.083 -1.213 2.422) 5.760 4.834 ( 0.799 3.035 0.147) 3.141 5.006 ( 1.042 1.230 0.162) 1.620 5.147 ( 4.624 1.041 0.084) 4.741 5.286 ( 1.985 1.268 -1.534) 2.811 5.397 ( -5.182 -1.078 0.138) 5.294 5.641 ( 4.455 -7.940 4.724) 10.257 6.023 ( -4.368 2.756 2.773) 5.862 6.154 ( -9.434 -1.895 -1.426) 9.727 6.338 ( 1.885 1.465 6.443) 6.871 6.537 ( 1.064 -2.818 -7.176) 7.783 7.055 ( -6.299 2.798 1.914) 7.153 7.228 ( -3.565 0.946 -4.490) 5.811 7.644 ( -2.718 8.619 4.145) 9.943 7.966 ( 3.568 2.012 -4.933) 6.412 11.672 ( -0.298 0.479 -1.483) 1.587 11.688 ( -0.189 0.269 -1.777) 1.807 11.969 ( -4.081 -2.960 2.157) 5.483 12.108 ( -0.104 -7.810 3.901) 8.731 13.077 ( -3.401 -3.696 -0.039) 5.023 13.183 ( -0.981 -7.171 -3.776) 8.164 13.943 ( -1.896 1.872 1.870) 3.255 14.056 ( -2.058 -1.363 -2.107) 3.245 15.071 ( -0.527 1.220 5.182) 5.350 15.082 ( -0.526 1.463 4.532) 4.791 15.470 ( 2.696 3.499 -4.420) 6.249 15.601 ( 8.917 4.266 -6.978) 12.099 16.051 ( 0.845 1.251 1.207) 1.933 16.098 ( 0.331 -1.398 -1.674) 2.206 16.538 ( -2.482 0.616 1.874) 3.170 16.579 ( -1.426 0.858 0.817) 1.854 ======================= Grid point 66 (34/56) ======================= q-point: (-0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 1.685 12.323 5.096) 13.441 0.735 ( -5.863 9.996 6.599) 13.335 0.891 ( 4.952 3.690 -3.043) 6.884 1.079 ( 0.593 3.630 1.680) 4.044 1.140 ( -5.801 4.777 0.886) 7.566 1.147 ( 4.620 1.690 -0.101) 4.920 1.244 ( -3.057 2.503 -1.760) 4.325 1.262 ( -1.528 -0.367 -0.863) 1.793 1.292 ( -1.000 2.267 -1.374) 2.833 1.322 ( -0.587 1.798 -1.652) 2.511 1.381 ( -3.203 2.719 0.916) 4.301 1.428 ( 1.317 -0.882 -0.653) 1.714 1.469 ( -0.298 1.246 1.340) 1.853 1.532 ( 0.528 1.498 1.223) 2.005 1.572 ( -4.363 3.510 0.617) 5.634 1.617 ( 0.744 0.110 -1.583) 1.752 1.671 ( 0.835 -2.781 -0.160) 2.908 1.717 ( -3.138 1.829 4.015) 5.414 1.755 ( -0.395 -0.515 -2.436) 2.521 1.834 ( 2.047 -1.806 1.525) 3.127 1.869 ( 3.079 1.116 -1.440) 3.578 1.905 ( 3.147 -1.023 -1.469) 3.620 1.920 ( 4.102 -1.235 -1.217) 4.454 2.007 ( -2.828 -1.043 -1.194) 3.242 2.052 ( 1.151 2.311 1.414) 2.944 2.077 ( 2.621 -1.941 3.525) 4.802 2.122 ( -0.468 -6.220 -3.229) 7.024 2.197 ( -3.344 2.568 -2.368) 4.836 2.204 ( -0.621 1.991 -3.791) 4.327 2.284 ( 0.721 -2.336 0.195) 2.452 2.354 ( 0.993 -0.518 -1.521) 1.889 2.407 ( -2.043 0.405 -0.934) 2.283 2.457 ( -3.175 -7.052 -1.306) 7.843 2.498 ( 0.950 2.420 -0.526) 2.653 2.559 ( 0.673 -2.007 0.357) 2.147 2.615 ( 0.378 0.389 -4.087) 4.123 2.707 ( 4.598 0.341 2.632) 5.309 2.740 ( 0.298 2.318 0.503) 2.391 2.812 ( 0.067 -0.885 1.170) 1.469 2.910 ( 1.660 2.673 -0.844) 3.258 2.941 ( 3.442 -1.045 3.541) 5.047 3.054 ( -1.017 1.550 3.218) 3.714 3.076 ( 0.158 0.058 1.323) 1.333 3.161 ( 1.218 -1.125 0.280) 1.681 3.211 ( 1.211 -1.621 3.315) 3.884 3.491 ( 3.830 -4.969 -3.263) 7.072 3.655 ( 0.817 -3.101 1.059) 3.377 3.703 ( -0.351 -1.761 -1.498) 2.339 3.880 ( 3.110 -4.530 2.360) 5.980 3.978 ( 1.240 -6.350 -2.300) 6.867 4.437 ( 2.660 1.770 1.240) 3.427 4.505 ( 2.540 0.842 -1.370) 3.007 4.653 ( 6.539 -1.043 -2.132) 6.957 4.763 ( 4.251 1.444 -2.105) 4.959 4.903 ( 7.632 6.453 4.499) 10.960 4.993 ( -0.776 3.041 1.234) 3.372 5.275 ( 3.245 -3.615 0.311) 4.867 5.320 ( 3.513 -3.053 0.944) 4.749 5.422 ( 5.640 1.851 3.973) 7.143 5.715 ( -0.249 -9.091 6.409) 11.126 5.860 ( -10.178 3.651 -2.774) 11.163 5.936 ( -6.845 3.961 2.892) 8.421 6.285 ( -7.871 -0.843 -5.451) 9.612 6.569 ( 0.540 -6.473 -4.665) 7.997 6.916 ( -4.389 3.951 4.742) 7.573 7.156 ( -2.826 1.327 -0.437) 3.152 7.606 ( -1.512 9.755 4.160) 10.712 8.033 ( 3.568 -0.599 -8.440) 9.183 11.674 ( 1.090 -0.126 -1.093) 1.548 11.686 ( 0.530 -0.217 -1.345) 1.462 11.875 ( -4.886 -2.126 1.643) 5.576 12.033 ( -8.109 -9.577 2.379) 12.773 12.992 ( -1.844 0.013 1.050) 2.122 13.208 ( 2.098 -6.046 -1.154) 6.503 13.905 ( -1.764 1.741 1.360) 2.827 13.997 ( -2.817 -0.947 -1.701) 3.425 15.069 ( -0.569 1.810 4.478) 4.864 15.090 ( 0.366 1.538 4.386) 4.662 15.517 ( 2.145 4.875 -3.627) 6.443 15.783 ( 7.843 0.021 -11.346) 13.793 16.081 ( 1.326 0.288 0.473) 1.437 16.137 ( 4.932 0.235 3.090) 5.825 16.481 ( -2.059 1.521 -0.575) 2.624 16.541 ( -2.946 0.774 2.043) 3.667 ======================= Grid point 67 (35/56) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -2.807 11.479 6.904) 13.686 0.892 ( 1.701 9.481 4.686) 10.712 1.000 ( 1.065 -5.944 2.633) 6.588 1.046 ( 1.304 -3.982 0.363) 4.206 1.150 ( -0.719 -0.669 -1.291) 1.622 1.166 ( -3.246 -0.444 -1.888) 3.782 1.248 ( 2.169 2.787 -2.847) 4.537 1.288 ( 1.308 1.498 -2.713) 3.363 1.320 ( 0.146 1.798 0.213) 1.816 1.335 ( -0.124 3.193 -2.911) 4.322 1.373 ( 1.717 -2.611 0.130) 3.128 1.404 ( -1.905 -4.368 -2.817) 5.536 1.449 ( -2.540 5.692 3.359) 7.080 1.513 ( -5.618 1.512 0.219) 5.822 1.554 ( 0.640 0.533 0.840) 1.183 1.636 ( -0.491 -6.246 -3.110) 6.994 1.655 ( -0.188 2.385 2.077) 3.168 1.707 ( -0.000 -1.739 2.792) 3.289 1.834 ( 3.439 1.176 -1.630) 3.983 1.845 ( 2.755 2.514 -2.356) 4.411 1.896 ( 0.287 -1.914 1.718) 2.588 1.945 ( 1.693 -1.316 1.081) 2.401 1.983 ( 2.115 3.608 2.719) 4.988 2.014 ( 1.538 0.628 -0.487) 1.732 2.053 ( 2.621 2.601 -0.676) 3.754 2.106 ( 0.978 1.083 0.083) 1.462 2.130 ( 2.907 0.001 -1.893) 3.469 2.187 ( 1.952 -3.760 1.686) 4.559 2.218 ( -1.893 -1.663 -1.450) 2.907 2.236 ( -3.764 0.217 -5.017) 6.276 2.294 ( -0.415 1.421 -0.106) 1.484 2.311 ( 1.436 -2.447 -0.086) 2.838 2.375 ( -2.982 0.948 -2.000) 3.713 2.442 ( -4.963 -5.388 1.154) 7.415 2.545 ( -2.751 3.156 -3.140) 5.234 2.591 ( -1.010 -1.523 -3.152) 3.643 2.793 ( 0.974 2.545 2.911) 3.987 2.812 ( 1.381 1.819 3.453) 4.140 2.861 ( 0.334 1.780 2.162) 2.820 2.925 ( -1.067 -2.809 0.871) 3.129 2.979 ( 0.316 2.259 2.527) 3.404 3.039 ( 2.138 -3.911 4.559) 6.376 3.121 ( -0.070 2.109 -1.720) 2.722 3.157 ( 0.796 -0.647 0.144) 1.036 3.270 ( -0.020 3.600 -1.559) 3.923 3.383 ( -0.774 -6.872 -5.740) 8.987 3.621 ( -1.035 -0.911 0.354) 1.423 3.638 ( -0.029 -2.510 0.421) 2.545 3.858 ( 0.800 -1.624 0.224) 1.825 3.879 ( 1.077 -3.778 0.053) 3.929 4.491 ( -0.493 1.656 1.880) 2.553 4.518 ( 0.055 -1.019 0.370) 1.085 4.743 ( 1.025 2.798 1.387) 3.287 4.826 ( 0.513 -4.331 3.933) 5.873 5.002 ( -2.861 7.550 -5.670) 9.866 5.142 ( -2.817 -5.511 -6.177) 8.744 5.323 ( 0.777 4.479 7.018) 8.362 5.381 ( 5.367 0.027 4.096) 6.751 5.494 ( -2.815 3.716 4.983) 6.823 5.604 ( 7.568 -5.057 0.870) 9.143 5.806 ( -1.776 2.227 1.820) 3.380 5.858 ( -5.326 -2.867 3.719) 7.101 6.206 ( -1.142 6.555 -7.858) 10.297 6.348 ( -2.376 -7.264 -9.396) 12.112 7.024 ( 1.809 5.195 7.011) 8.911 7.118 ( 2.003 -3.621 3.522) 5.434 7.791 ( -0.023 9.237 -0.975) 9.289 7.952 ( -0.416 -6.903 -6.374) 9.405 11.683 ( -0.394 -0.002 -0.373) 0.543 11.686 ( -0.145 -0.352 -0.367) 0.529 11.806 ( 0.863 -0.436 0.388) 1.042 11.819 ( -0.949 -1.833 0.328) 2.090 13.028 ( 0.486 2.223 2.270) 3.214 13.105 ( -0.025 -5.502 -0.522) 5.527 13.920 ( 0.125 1.525 0.075) 1.532 13.945 ( 0.073 -0.984 -0.868) 1.315 15.106 ( -0.467 1.908 4.620) 5.020 15.127 ( 0.025 0.006 4.610) 4.610 15.641 ( -0.306 5.768 -6.067) 8.377 15.747 ( -0.919 -4.644 -9.695) 10.789 16.127 ( 0.469 1.495 3.582) 3.909 16.172 ( 0.382 -3.077 2.787) 4.169 16.504 ( -0.811 1.168 -0.130) 1.428 16.518 ( 1.990 -0.240 -0.537) 2.075 ======================= Grid point 68 (36/56) ======================= q-point: ( 0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -0.091 11.501 5.310) 12.668 0.939 ( 1.741 3.253 4.880) 6.118 1.018 ( -0.931 1.134 1.249) 1.927 1.060 ( 0.426 -4.071 1.054) 4.227 1.100 ( 0.074 -0.101 0.015) 0.126 1.152 ( 0.261 -3.096 -1.117) 3.301 1.249 ( -3.189 3.557 -3.235) 5.769 1.269 ( -1.569 2.004 -1.466) 2.937 1.313 ( 1.130 2.515 -0.689) 2.842 1.357 ( 0.963 -0.238 1.890) 2.135 1.390 ( -2.641 3.694 -0.979) 4.645 1.396 ( 1.388 0.880 -0.201) 1.656 1.455 ( 3.637 -2.873 -5.235) 6.992 1.479 ( 2.640 -0.722 2.340) 3.601 1.581 ( 1.672 -2.662 0.063) 3.144 1.609 ( -0.793 -5.338 -3.576) 6.474 1.691 ( 1.612 2.617 -0.156) 3.078 1.736 ( 2.499 -1.003 0.750) 2.795 1.843 ( -1.477 1.141 1.420) 2.345 1.870 ( -2.432 5.280 -2.700) 6.410 1.887 ( -0.876 0.131 1.744) 1.956 1.949 ( -1.862 1.485 -0.764) 2.501 1.966 ( -1.884 -0.546 -0.524) 2.030 2.032 ( 1.439 -3.453 -0.787) 3.823 2.113 ( 0.427 4.979 3.799) 6.278 2.138 ( -2.252 1.112 -2.394) 3.470 2.161 ( 1.162 -0.659 -0.808) 1.561 2.184 ( 1.795 -0.039 -1.213) 2.167 2.208 ( 0.288 2.266 -0.246) 2.298 2.260 ( 3.355 0.096 0.719) 3.432 2.287 ( 1.881 -1.490 1.076) 2.630 2.316 ( 0.901 -3.873 2.185) 4.537 2.371 ( 1.910 -1.835 0.373) 2.675 2.412 ( 3.216 -4.693 0.834) 5.750 2.460 ( -3.851 4.193 -3.925) 6.915 2.529 ( -3.812 -2.343 -3.553) 5.714 2.761 ( -4.625 4.956 0.631) 6.808 2.819 ( -1.252 2.662 1.815) 3.457 2.839 ( -3.246 -2.825 1.919) 4.711 2.873 ( -3.452 -1.935 1.104) 4.109 2.996 ( 0.341 5.830 1.319) 5.987 3.080 ( -3.020 1.499 -1.613) 3.738 3.106 ( 2.712 -5.147 4.646) 7.445 3.144 ( -3.004 -3.313 -1.849) 4.840 3.247 ( -0.485 3.016 -0.267) 3.066 3.326 ( -2.626 -4.979 -3.493) 6.625 3.594 ( -1.696 -0.213 0.312) 1.738 3.636 ( -1.032 -4.048 -0.269) 4.187 3.872 ( 0.450 -0.277 0.018) 0.529 3.911 ( 1.654 -4.215 -0.125) 4.530 4.468 ( -2.081 2.808 1.056) 3.651 4.516 ( -1.089 -2.154 -0.051) 2.415 4.651 ( -9.218 4.608 0.936) 10.348 4.728 ( -8.759 -2.193 2.127) 9.277 4.949 ( -0.615 4.155 -0.659) 4.252 5.042 ( -4.257 -3.468 -2.425) 6.003 5.226 ( -6.726 4.146 -1.305) 8.008 5.330 ( -6.019 -5.029 -1.008) 7.908 5.595 ( 4.580 4.338 11.341) 12.977 5.682 ( -2.376 -3.936 9.951) 10.962 5.837 ( 6.493 2.476 -3.295) 7.690 5.900 ( 4.981 -3.093 -1.964) 6.184 6.222 ( 4.043 6.961 -4.837) 9.391 6.364 ( 4.662 -6.971 -5.942) 10.278 7.092 ( 3.694 6.540 3.606) 8.332 7.209 ( 4.935 -4.688 2.249) 7.169 7.795 ( 0.572 7.898 -0.171) 7.920 7.925 ( -0.776 -4.981 -5.690) 7.602 11.667 ( -0.209 0.712 -0.568) 0.935 11.677 ( -0.063 -0.336 -0.279) 0.441 11.867 ( 4.078 -0.932 0.323) 4.196 11.879 ( 4.666 -2.125 0.556) 5.158 13.033 ( -0.325 1.100 1.193) 1.655 13.096 ( -0.300 -5.502 -0.106) 5.511 13.945 ( 1.991 1.684 0.220) 2.617 13.973 ( 2.443 -1.130 -1.003) 2.873 15.101 ( -0.828 2.122 4.739) 5.258 15.127 ( -0.838 -0.343 5.111) 5.191 15.595 ( -2.724 4.663 -5.819) 7.939 15.672 ( -4.105 -2.676 -8.785) 10.059 16.117 ( -1.765 0.913 2.659) 3.320 16.149 ( -2.300 -2.348 1.260) 3.520 16.512 ( 1.440 3.331 -0.012) 3.629 16.574 ( 2.610 -2.979 0.423) 3.983 ======================= Grid point 69 (37/56) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 3.216 7.672 3.297) 8.948 0.940 ( -1.421 3.030 -0.619) 3.403 0.997 ( -1.871 1.327 -0.627) 2.378 1.085 ( -1.165 -3.050 2.098) 3.881 1.151 ( 4.727 1.254 0.478) 4.914 1.160 ( 1.156 1.458 -0.451) 1.914 1.177 ( -1.131 2.120 -0.873) 2.557 1.251 ( 1.350 -2.217 1.605) 3.052 1.323 ( -0.400 2.525 -1.327) 2.880 1.357 ( -0.591 3.936 -1.522) 4.261 1.397 ( 2.227 3.316 0.501) 4.026 1.416 ( 0.813 0.785 0.345) 1.182 1.505 ( 0.778 -2.993 0.707) 3.172 1.550 ( 2.181 -3.493 -1.167) 4.281 1.597 ( 1.202 -1.775 -2.614) 3.381 1.619 ( 1.340 -2.091 0.050) 2.483 1.687 ( 0.586 2.303 -5.126) 5.650 1.767 ( -0.411 4.277 -1.823) 4.667 1.791 ( -3.508 -3.034 -3.640) 5.896 1.819 ( -1.255 1.134 1.160) 2.051 1.870 ( -2.022 -2.917 -0.073) 3.550 1.884 ( -2.288 -3.384 0.931) 4.190 1.955 ( 1.250 2.326 2.601) 3.707 2.029 ( -1.174 -3.125 0.283) 3.350 2.063 ( -2.958 1.159 2.172) 3.848 2.079 ( -2.917 -1.007 0.406) 3.113 2.147 ( -2.015 0.875 -1.072) 2.444 2.179 ( 0.122 -0.602 -1.718) 1.825 2.295 ( 1.473 4.444 1.939) 5.067 2.312 ( -0.274 0.310 2.017) 2.059 2.344 ( 1.044 1.960 5.806) 6.216 2.383 ( 4.294 0.354 -0.945) 4.411 2.396 ( 0.880 -0.935 1.749) 2.170 2.423 ( 0.495 -2.382 -3.123) 3.959 2.478 ( 5.341 1.755 -1.785) 5.898 2.527 ( 2.711 -1.780 -4.285) 5.374 2.633 ( -5.648 6.410 0.200) 8.546 2.755 ( -1.712 -4.607 -1.449) 5.124 2.778 ( -3.441 0.469 1.269) 3.698 2.801 ( -4.004 -1.484 1.946) 4.692 2.969 ( -1.696 5.015 0.495) 5.317 3.015 ( -2.777 -0.644 -1.381) 3.168 3.083 ( -1.069 -0.954 -1.043) 1.772 3.150 ( -0.008 -5.964 2.699) 6.546 3.245 ( -0.518 0.997 -0.015) 1.123 3.283 ( -1.273 -3.353 -0.390) 3.608 3.554 ( -1.785 -0.288 1.145) 2.140 3.597 ( -1.769 -4.398 0.405) 4.758 3.864 ( -1.446 1.748 -1.226) 2.579 3.927 ( -0.414 -4.616 -1.844) 4.988 4.395 ( -4.138 3.826 0.762) 5.687 4.466 ( -5.009 -0.842 0.403) 5.096 4.482 ( -3.002 3.688 0.405) 4.773 4.579 ( -4.812 -3.279 1.177) 5.940 4.936 ( -2.235 3.990 -0.091) 4.575 5.000 ( -1.118 -2.542 -0.758) 2.879 5.124 ( -1.042 3.351 -0.233) 3.517 5.222 ( -1.797 -5.901 -3.312) 7.001 5.627 ( -3.442 1.369 5.850) 6.924 5.642 ( -4.643 -0.410 3.896) 6.075 5.946 ( 5.327 1.181 3.407) 6.433 5.989 ( 4.645 -2.678 1.364) 5.532 6.345 ( 6.395 5.563 -2.719) 8.901 6.454 ( 3.765 -5.262 -2.448) 6.918 7.174 ( 3.265 6.619 0.011) 7.380 7.286 ( 1.938 -4.418 -0.768) 4.885 7.813 ( 0.963 6.481 0.737) 6.593 7.909 ( 0.194 -2.983 -3.706) 4.761 11.677 ( 0.974 0.933 -0.642) 1.494 11.687 ( 0.877 -0.164 -0.356) 0.961 11.945 ( 2.905 -1.463 0.459) 3.285 11.956 ( 2.172 -2.569 0.764) 3.450 13.034 ( 0.561 1.086 0.220) 1.242 13.100 ( 0.394 -6.119 -0.160) 6.133 13.988 ( 1.721 2.001 0.357) 2.663 14.023 ( 2.205 -1.585 -1.137) 2.944 15.095 ( -0.586 1.683 5.167) 5.465 15.117 ( -1.097 -0.273 5.686) 5.797 15.525 ( -2.377 3.204 -6.104) 7.292 15.570 ( -3.451 -0.881 -7.841) 8.612 16.084 ( -1.503 0.831 1.341) 2.178 16.105 ( -1.847 -1.444 0.553) 2.409 16.548 ( 1.667 3.194 0.760) 3.682 16.610 ( 0.680 -2.904 0.638) 3.050 ======================= Grid point 70 (38/56) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -4.139 4.344 -1.902) 6.295 0.904 ( -0.722 0.026 -1.384) 1.561 0.963 ( 0.854 5.219 -1.529) 5.505 1.051 ( -1.926 -2.339 1.914) 3.584 1.160 ( -0.357 5.435 -2.424) 5.961 1.217 ( 2.493 -0.382 0.753) 2.632 1.245 ( -0.364 2.160 1.406) 2.603 1.273 ( 2.402 1.506 1.709) 3.310 1.353 ( 0.882 3.360 2.208) 4.116 1.358 ( 4.641 5.657 -0.243) 7.321 1.418 ( 1.517 0.072 -4.301) 4.561 1.484 ( 1.823 -5.251 3.353) 6.491 1.508 ( -0.504 -0.977 -0.531) 1.221 1.549 ( 2.457 -4.066 1.672) 5.037 1.618 ( -0.482 0.274 -0.603) 0.819 1.619 ( -0.483 -0.061 1.113) 1.215 1.685 ( -2.196 2.318 -3.541) 4.768 1.723 ( -2.951 -0.773 -2.630) 4.028 1.739 ( -1.592 -2.584 -3.444) 4.590 1.775 ( -2.278 -2.646 -2.442) 4.261 1.852 ( -0.145 -0.216 -0.003) 0.260 1.864 ( -0.785 -1.391 -0.600) 1.706 1.986 ( 0.303 -0.481 2.234) 2.306 2.003 ( -1.752 -0.708 2.981) 3.530 2.028 ( -0.312 2.990 1.264) 3.261 2.075 ( 3.250 -0.119 -1.622) 3.634 2.129 ( 0.388 0.376 1.522) 1.615 2.164 ( -2.623 -2.322 3.027) 4.630 2.238 ( -1.302 1.404 -0.236) 1.929 2.266 ( -1.425 -1.798 -2.232) 3.200 2.361 ( -1.568 4.092 1.736) 4.714 2.428 ( 1.548 0.426 0.048) 1.607 2.431 ( -1.911 -0.915 -0.622) 2.208 2.462 ( 2.172 -0.408 -2.074) 3.030 2.505 ( 0.603 1.580 -1.385) 2.186 2.537 ( -0.544 -0.794 -0.537) 1.102 2.655 ( 3.882 8.078 -0.169) 8.964 2.720 ( 0.444 -1.060 1.122) 1.606 2.743 ( -0.715 -1.864 1.444) 2.464 2.800 ( 2.782 -3.337 -2.024) 4.793 2.976 ( 1.912 1.857 1.883) 3.264 2.984 ( -0.258 -0.327 0.460) 0.620 3.066 ( -0.644 -0.798 -0.352) 1.085 3.122 ( -1.786 -5.013 -0.050) 5.322 3.226 ( -1.092 0.006 0.150) 1.102 3.254 ( -1.143 -2.895 -0.297) 3.126 3.556 ( 1.855 0.437 3.001) 3.555 3.606 ( 2.398 -4.309 2.603) 5.576 3.812 ( -2.463 2.199 -3.286) 4.659 3.888 ( -2.086 -5.276 -4.227) 7.075 4.368 ( 1.516 5.196 2.260) 5.866 4.416 ( 0.114 5.657 1.037) 5.753 4.475 ( 1.613 -4.199 1.371) 4.703 4.524 ( -0.823 -3.556 0.205) 3.656 4.880 ( -1.464 2.986 -1.978) 3.869 4.944 ( -2.004 -3.336 -4.361) 5.845 5.170 ( 3.793 5.028 3.491) 7.201 5.271 ( 4.056 -4.739 -0.934) 6.307 5.507 ( -5.741 0.009 0.888) 5.809 5.519 ( -7.262 -0.752 0.463) 7.316 6.058 ( 3.477 1.601 6.458) 7.507 6.099 ( 4.278 -2.573 6.528) 8.218 6.417 ( 0.740 4.162 -2.721) 5.027 6.490 ( 0.351 -3.123 -2.979) 4.330 7.204 ( -0.748 4.671 -0.595) 4.768 7.279 ( -2.104 -2.839 -2.780) 4.496 7.826 ( -0.143 6.379 0.778) 6.428 7.917 ( 1.080 -2.656 -2.540) 3.830 11.691 ( 0.288 0.821 -0.541) 1.025 11.699 ( 0.120 0.055 -0.472) 0.490 11.970 ( -0.744 -1.566 0.615) 1.839 11.984 ( 0.871 -3.015 0.712) 3.218 13.050 ( 0.588 0.089 0.755) 0.961 13.095 ( -0.980 -4.977 -1.063) 5.183 14.006 ( -0.155 2.181 0.366) 2.217 14.046 ( 0.092 -1.891 -1.153) 2.217 15.094 ( -0.602 1.105 5.483) 5.626 15.106 ( -0.951 0.020 5.686) 5.765 15.497 ( 1.150 2.756 -6.469) 7.125 15.534 ( 1.889 -0.443 -7.391) 7.642 16.067 ( -0.364 0.805 1.182) 1.476 16.080 ( -0.602 -0.750 0.357) 1.026 16.572 ( 0.246 1.762 1.356) 2.237 16.606 ( -1.056 -1.473 0.227) 1.827 ======================= Grid point 71 (39/56) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -0.817 9.147 0.433) 9.194 0.910 ( 0.990 -1.563 0.093) 1.853 0.985 ( -0.833 1.337 1.710) 2.325 1.017 ( -0.777 -2.250 0.952) 2.563 1.087 ( -2.206 8.603 -0.098) 8.881 1.258 ( -1.175 -0.254 2.253) 2.554 1.261 ( -1.909 -5.364 -1.609) 5.916 1.283 ( 1.713 -1.031 1.104) 2.284 1.380 ( 0.014 5.805 1.332) 5.956 1.408 ( 2.306 5.284 2.074) 6.126 1.449 ( -3.873 -0.429 -1.107) 4.051 1.480 ( 2.202 1.237 0.600) 2.596 1.519 ( -1.449 2.403 -5.622) 6.283 1.564 ( -2.465 1.434 -1.731) 3.336 1.616 ( -0.268 1.855 -5.907) 6.197 1.636 ( -0.673 -2.923 -2.777) 4.088 1.664 ( 3.064 -3.996 5.268) 7.288 1.681 ( 3.441 -2.046 -0.658) 4.057 1.706 ( 1.289 -2.640 -3.869) 4.858 1.721 ( -0.216 -3.571 -2.497) 4.363 1.841 ( -0.596 0.068 0.993) 1.160 1.849 ( -0.657 -0.420 0.142) 0.792 1.986 ( -0.904 2.270 1.152) 2.701 2.010 ( -4.375 2.922 2.248) 5.722 2.021 ( 0.144 1.097 1.657) 1.992 2.071 ( 0.947 0.619 3.018) 3.223 2.103 ( -0.957 0.258 -1.622) 1.901 2.167 ( 1.684 -3.059 0.549) 3.535 2.262 ( -0.189 -0.447 0.549) 0.733 2.297 ( 0.920 -3.014 1.913) 3.687 2.339 ( 0.752 2.142 0.086) 2.272 2.367 ( -2.371 0.348 -0.658) 2.485 2.432 ( 0.621 0.692 -1.761) 1.991 2.474 ( -0.631 -2.028 -1.016) 2.354 2.546 ( 2.176 1.119 -0.844) 2.588 2.566 ( 3.823 -0.860 -1.173) 4.091 2.687 ( 0.747 3.797 -1.226) 4.059 2.744 ( 0.170 -1.777 0.398) 1.829 2.780 ( 3.316 0.608 1.964) 3.901 2.837 ( 1.770 -3.411 -0.591) 3.888 2.991 ( -0.335 5.205 -1.007) 5.312 3.029 ( 2.905 1.857 -0.910) 3.565 3.070 ( 0.410 -1.404 5.166) 5.369 3.090 ( -0.345 -4.041 -1.109) 4.205 3.206 ( -0.322 1.724 0.835) 1.943 3.290 ( 3.957 -6.071 -1.002) 7.315 3.610 ( 1.802 1.090 2.172) 3.025 3.658 ( 1.184 -3.235 0.543) 3.487 3.789 ( 1.284 1.440 -1.366) 2.364 3.860 ( 0.385 -5.258 -2.977) 6.055 4.444 ( 2.459 4.121 -0.677) 4.846 4.450 ( 4.922 5.131 1.809) 7.337 4.518 ( 3.086 -2.657 -0.891) 4.169 4.572 ( 4.490 -5.610 2.474) 7.600 4.897 ( 4.069 4.063 -0.285) 5.757 4.981 ( 6.372 -3.689 -0.569) 7.385 5.209 ( -2.385 4.360 -2.655) 5.634 5.279 ( -1.994 -2.225 -5.076) 5.890 5.412 ( -0.636 2.856 5.446) 6.182 5.500 ( 3.203 -5.978 7.584) 10.174 6.078 ( -3.258 2.681 2.767) 5.046 6.122 ( -4.113 -1.816 2.879) 5.338 6.394 ( -1.756 3.839 -0.509) 4.252 6.472 ( -1.000 -3.812 -4.487) 5.972 7.131 ( -5.822 4.475 0.430) 7.356 7.208 ( -3.986 -2.850 -1.456) 5.112 7.813 ( -0.882 7.985 0.173) 8.035 7.938 ( 1.372 -4.354 -3.035) 5.482 11.684 ( -0.647 0.652 -0.515) 1.053 11.691 ( -0.606 -0.010 -0.506) 0.789 11.933 ( -2.999 -0.195 0.411) 3.033 11.977 ( -2.024 -4.841 0.820) 5.310 13.039 ( -1.819 0.032 0.095) 1.822 13.078 ( 0.192 -3.743 -0.023) 3.748 13.984 ( -1.915 2.106 0.272) 2.859 14.023 ( -1.992 -1.883 -1.050) 2.936 15.094 ( -0.295 0.962 5.246) 5.341 15.102 ( -0.337 0.291 4.901) 4.921 15.547 ( 4.400 4.100 -6.165) 8.612 15.614 ( 6.556 -2.138 -7.600) 10.262 16.071 ( 0.565 0.836 1.277) 1.628 16.084 ( 0.854 -0.429 1.066) 1.431 16.556 ( -2.003 1.176 0.980) 2.521 16.578 ( -1.549 -0.816 0.499) 1.821 ======================= Grid point 72 (40/56) ======================= q-point: (-0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 2.240 11.723 4.566) 12.779 0.901 ( -3.461 6.126 5.862) 9.158 0.954 ( 2.049 1.431 -0.021) 2.500 1.031 ( 0.619 -5.831 1.235) 5.993 1.137 ( 4.839 -1.531 0.043) 5.075 1.171 ( -2.984 -3.424 1.884) 4.917 1.268 ( -0.350 1.275 -1.971) 2.373 1.281 ( -2.260 1.028 -2.157) 3.289 1.343 ( -2.683 1.119 -3.226) 4.342 1.358 ( -1.047 0.215 0.644) 1.248 1.394 ( -4.147 4.688 -5.730) 8.486 1.455 ( -1.614 -0.455 -0.998) 1.951 1.512 ( -0.891 3.894 2.639) 4.787 1.540 ( 0.083 1.213 1.060) 1.613 1.588 ( -1.058 -2.477 -0.362) 2.718 1.668 ( -3.626 -0.524 -0.245) 3.672 1.683 ( 2.514 -1.185 0.104) 2.782 1.705 ( -2.258 2.803 -0.180) 3.604 1.744 ( 3.784 1.887 -5.543) 6.971 1.790 ( 3.917 -2.595 2.836) 5.488 1.865 ( 3.018 -2.405 0.448) 3.885 1.878 ( 3.404 -2.583 -2.110) 4.765 1.954 ( 1.727 2.257 1.306) 3.128 1.964 ( -0.839 4.037 0.664) 4.177 2.016 ( -0.859 -3.089 -1.123) 3.397 2.079 ( 1.510 -2.427 2.675) 3.915 2.119 ( 0.011 3.546 0.627) 3.601 2.189 ( -0.857 -2.246 0.615) 2.482 2.257 ( 1.422 0.238 -0.245) 1.462 2.263 ( -2.244 -0.313 -0.310) 2.287 2.319 ( -2.125 -0.082 -2.440) 3.237 2.341 ( -3.161 -2.724 -1.110) 4.318 2.425 ( -0.182 1.581 -0.439) 1.651 2.489 ( 0.631 -4.093 0.976) 4.255 2.570 ( 0.066 3.369 -2.291) 4.075 2.615 ( -0.103 -0.904 -4.643) 4.731 2.730 ( 3.795 1.864 2.499) 4.912 2.759 ( 1.841 -0.421 2.508) 3.140 2.840 ( 1.660 2.876 1.059) 3.485 2.898 ( 3.290 -2.822 1.067) 4.464 2.972 ( -0.479 2.711 1.365) 3.073 3.031 ( -1.905 -3.302 3.377) 5.093 3.092 ( 2.497 2.180 -0.777) 3.405 3.138 ( 1.684 -1.751 -0.293) 2.447 3.232 ( 2.777 4.571 0.009) 5.348 3.362 ( 3.033 -7.526 -3.186) 8.717 3.627 ( -0.003 0.210 0.381) 0.435 3.657 ( -0.915 -2.527 -0.423) 2.721 3.832 ( 1.862 -0.249 0.478) 1.938 3.868 ( 0.348 -3.942 -0.808) 4.039 4.480 ( 0.973 2.563 1.300) 3.034 4.520 ( 0.752 -0.539 -0.074) 0.928 4.636 ( 7.496 1.215 -0.504) 7.611 4.711 ( 8.045 -5.051 2.731) 9.884 5.044 ( 4.328 7.068 -2.120) 8.555 5.096 ( 5.121 4.837 -1.170) 7.141 5.201 ( 1.930 -3.298 -1.900) 4.267 5.246 ( 5.740 -4.607 1.352) 7.484 5.476 ( 2.698 3.810 6.506) 8.007 5.571 ( 0.757 -5.889 6.894) 9.099 5.937 ( -8.964 3.570 -0.546) 9.664 5.980 ( -7.890 -0.138 2.156) 8.181 6.314 ( -5.700 4.238 -6.085) 9.353 6.433 ( -2.688 -7.069 -5.388) 9.286 7.022 ( -3.541 6.223 4.149) 8.275 7.129 ( -3.075 -3.957 2.222) 5.481 7.798 ( -0.474 9.360 -0.688) 9.397 7.957 ( 0.974 -6.490 -4.858) 8.165 11.676 ( 0.226 0.286 -0.451) 0.580 11.682 ( 0.047 -0.248 -0.449) 0.515 11.854 ( -4.185 0.343 0.322) 4.211 11.899 ( -5.192 -4.429 0.558) 6.847 13.016 ( -0.120 2.545 1.088) 2.771 13.093 ( 0.996 -5.187 0.053) 5.282 13.941 ( -1.898 1.790 0.120) 2.612 13.973 ( -2.255 -1.471 -0.900) 2.839 15.101 ( -0.010 1.303 4.830) 5.003 15.112 ( 0.379 0.357 4.460) 4.490 15.622 ( 3.251 5.644 -6.114) 8.934 15.728 ( 4.703 -4.699 -9.059) 11.236 16.096 ( 1.476 1.262 2.088) 2.851 16.124 ( 2.678 -1.359 2.884) 4.163 16.515 ( -1.492 1.653 -0.130) 2.231 16.540 ( -2.148 -0.793 0.627) 2.374 ======================= Grid point 91 (41/56) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -2.920 0.000 -9.915) 10.337 0.622 ( 2.920 0.000 9.915) 10.337 0.742 ( 0.351 0.000 -10.730) 10.736 0.742 ( -0.351 0.000 10.730) 10.736 1.080 ( -1.593 0.000 -5.367) 5.598 1.080 ( 1.593 0.000 5.367) 5.598 1.204 ( -0.481 0.000 -4.349) 4.375 1.204 ( 0.481 0.000 4.349) 4.375 1.260 ( -2.575 0.000 -1.450) 2.955 1.260 ( 2.575 0.000 1.450) 2.955 1.401 ( -1.480 0.000 -11.098) 11.196 1.401 ( 1.480 0.000 11.098) 11.196 1.418 ( 3.498 0.000 -2.655) 4.391 1.418 ( -3.498 0.000 2.655) 4.391 1.543 ( -8.256 0.000 -3.341) 8.906 1.543 ( 8.256 0.000 3.341) 8.906 1.652 ( -2.501 0.000 -2.928) 3.851 1.652 ( 2.501 0.000 2.928) 3.851 1.830 ( 4.542 0.000 -7.110) 8.437 1.830 ( -4.542 0.000 7.110) 8.437 1.908 ( 3.130 0.000 -5.592) 6.408 1.908 ( -3.130 0.000 5.592) 6.408 1.970 ( -2.054 0.000 -3.486) 4.046 1.970 ( 2.054 0.000 3.486) 4.046 2.039 ( -6.110 0.000 -1.025) 6.195 2.039 ( 6.110 0.000 1.025) 6.195 2.129 ( -3.862 0.000 -1.255) 4.061 2.129 ( 3.862 0.000 1.255) 4.061 2.232 ( -1.072 0.000 -1.687) 1.999 2.232 ( 1.072 0.000 1.687) 1.999 2.348 ( -0.449 0.000 -2.448) 2.489 2.348 ( 0.449 0.000 2.448) 2.489 2.568 ( 1.913 0.000 -2.062) 2.813 2.568 ( -1.913 0.000 2.062) 2.813 2.626 ( -1.945 0.000 -2.859) 3.458 2.626 ( 1.945 0.000 2.859) 3.458 2.736 ( 2.970 0.000 -4.654) 5.520 2.736 ( -2.970 0.000 4.654) 5.520 2.888 ( -0.065 0.000 -0.157) 0.170 2.888 ( 0.065 0.000 0.157) 0.170 3.018 ( -5.080 0.000 -0.736) 5.133 3.018 ( 5.080 0.000 0.736) 5.133 3.131 ( -1.370 0.000 -0.968) 1.677 3.131 ( 1.370 0.000 0.968) 1.677 3.447 ( -3.393 0.000 -8.606) 9.251 3.447 ( 3.393 0.000 8.606) 9.251 3.859 ( -2.888 0.000 0.307) 2.904 3.859 ( 2.888 0.000 -0.307) 2.904 4.074 ( 2.041 0.000 -1.107) 2.321 4.074 ( -2.041 0.000 1.107) 2.321 4.386 ( -0.290 0.000 -3.625) 3.637 4.386 ( 0.290 0.000 3.625) 3.637 4.700 ( -1.604 0.000 -1.130) 1.962 4.700 ( 1.604 0.000 1.130) 1.962 4.957 ( 0.784 0.000 -1.334) 1.547 4.957 ( -0.784 0.000 1.334) 1.547 5.464 ( -0.535 0.000 -2.692) 2.745 5.464 ( 0.535 0.000 2.692) 2.745 5.503 ( -0.799 0.000 -5.234) 5.295 5.503 ( 0.799 0.000 5.234) 5.295 5.919 ( -2.664 0.000 -9.839) 10.193 5.919 ( 2.664 0.000 9.839) 10.193 6.654 ( -10.138 0.000 -0.552) 10.153 6.654 ( 10.138 0.000 0.552) 10.153 6.887 ( -7.631 0.000 -6.205) 9.836 6.887 ( 7.631 0.000 6.205) 9.836 7.545 ( -5.288 0.000 0.208) 5.292 7.545 ( 5.288 0.000 -0.208) 5.292 11.729 ( -0.573 0.000 0.188) 0.603 11.729 ( 0.573 0.000 -0.188) 0.603 11.950 ( -6.834 0.000 -4.082) 7.961 11.950 ( 6.834 0.000 4.082) 7.961 13.326 ( 11.383 0.000 -4.580) 12.270 13.326 ( -11.383 0.000 4.580) 12.270 13.899 ( 1.601 0.000 -3.159) 3.541 13.899 ( -1.601 0.000 3.159) 3.541 15.129 ( -0.004 0.000 -5.965) 5.965 15.129 ( 0.004 0.000 5.965) 5.965 15.425 ( -2.302 0.000 -0.824) 2.445 15.425 ( 2.302 0.000 0.824) 2.445 16.249 ( -1.816 0.000 -5.952) 6.223 16.249 ( 1.816 0.000 5.952) 6.223 16.435 ( -9.501 0.000 1.309) 9.591 16.435 ( 9.501 0.000 -1.309) 9.591 ======================= Grid point 93 (42/56) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -9.101 0.000 -17.185) 19.446 0.569 ( -0.887 0.000 -2.203) 2.375 0.708 ( 0.812 0.000 0.293) 0.864 0.747 ( 5.072 0.000 12.675) 13.652 1.122 ( -2.352 0.000 -1.462) 2.769 1.130 ( -4.538 0.000 0.601) 4.578 1.201 ( -3.482 0.000 -2.884) 4.521 1.225 ( 11.218 0.000 -3.962) 11.897 1.231 ( 2.275 0.000 1.211) 2.577 1.303 ( -3.101 0.000 6.165) 6.901 1.347 ( 3.554 0.000 -6.933) 7.791 1.356 ( -5.811 0.000 -2.744) 6.426 1.427 ( 2.719 0.000 -6.283) 6.846 1.452 ( 3.097 0.000 3.030) 4.333 1.611 ( 10.009 0.000 13.420) 16.742 1.621 ( -0.168 0.000 -1.400) 1.410 1.706 ( 0.583 0.000 2.051) 2.132 1.724 ( -3.517 0.000 2.519) 4.326 1.731 ( 3.499 0.000 0.231) 3.507 1.869 ( 0.317 0.000 6.088) 6.096 1.876 ( 0.108 0.000 -1.529) 1.533 1.895 ( -2.792 0.000 -4.347) 5.166 1.921 ( -1.126 0.000 -4.486) 4.625 1.947 ( 3.211 0.000 -7.643) 8.290 2.012 ( -0.939 0.000 0.571) 1.099 2.085 ( 1.636 0.000 3.356) 3.733 2.090 ( -1.070 0.000 -1.180) 1.593 2.177 ( 0.954 0.000 -0.795) 1.241 2.281 ( 1.454 0.000 4.781) 4.998 2.283 ( 4.285 0.000 2.984) 5.221 2.357 ( -0.971 0.000 -0.592) 1.137 2.363 ( 2.023 0.000 -3.509) 4.051 2.468 ( -6.868 0.000 1.078) 6.952 2.512 ( -4.763 0.000 -3.055) 5.659 2.560 ( -4.877 0.000 1.267) 5.039 2.611 ( -5.393 0.000 2.993) 6.168 2.656 ( -2.719 0.000 4.934) 5.634 2.726 ( -2.053 0.000 -3.715) 4.244 2.874 ( -1.448 0.000 0.316) 1.482 2.906 ( 1.262 0.000 -0.901) 1.550 3.003 ( 3.594 0.000 0.422) 3.619 3.093 ( -0.818 0.000 -0.655) 1.048 3.129 ( -3.085 0.000 -1.039) 3.255 3.161 ( 6.065 0.000 -0.650) 6.100 3.357 ( -1.680 0.000 -4.113) 4.443 3.472 ( -1.907 0.000 4.224) 4.634 3.821 ( -1.023 0.000 -0.720) 1.251 3.905 ( -0.362 0.000 -1.392) 1.438 4.023 ( -2.086 0.000 -0.233) 2.099 4.062 ( -3.836 0.000 0.080) 3.837 4.329 ( -3.032 0.000 0.942) 3.175 4.338 ( -3.776 0.000 1.090) 3.930 4.649 ( -2.626 0.000 0.108) 2.628 4.688 ( -3.152 0.000 0.773) 3.245 4.953 ( 0.257 0.000 1.681) 1.700 4.954 ( -1.050 0.000 -2.733) 2.928 5.308 ( -12.794 0.000 4.501) 13.563 5.333 ( -7.174 0.000 1.052) 7.251 5.543 ( 1.307 0.000 -10.196) 10.280 5.596 ( 4.980 0.000 6.212) 7.962 5.871 ( 1.868 0.000 -2.948) 3.490 6.051 ( 7.247 0.000 11.030) 13.197 6.547 ( -1.055 0.000 -2.192) 2.433 6.684 ( -9.097 0.000 -8.267) 12.292 6.912 ( 11.735 0.000 -3.744) 12.318 7.026 ( 4.974 0.000 2.412) 5.528 7.487 ( -0.241 0.000 3.220) 3.229 7.650 ( 3.462 0.000 0.848) 3.564 11.644 ( -3.596 0.000 1.553) 3.917 11.681 ( -2.297 0.000 -0.600) 2.374 11.997 ( 6.390 0.000 -0.932) 6.458 12.239 ( 12.288 0.000 15.413) 19.712 13.089 ( -7.314 0.000 -3.880) 8.280 13.446 ( 1.917 0.000 -11.048) 11.213 13.922 ( 2.928 0.000 2.325) 3.739 13.953 ( 3.413 0.000 -2.774) 4.398 15.122 ( 0.387 0.000 -5.437) 5.451 15.142 ( 0.015 0.000 6.194) 6.194 15.353 ( -4.066 0.000 2.434) 4.739 15.418 ( -2.963 0.000 -1.834) 3.485 16.136 ( -7.040 0.000 -0.830) 7.089 16.158 ( -3.893 0.000 -5.718) 6.917 16.422 ( 3.985 0.000 2.775) 4.856 16.602 ( 4.976 0.000 -5.676) 7.548 ======================= Grid point 94 (43/56) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 2.887 0.000 -7.189) 7.747 0.594 ( 2.986 0.000 -3.124) 4.322 0.785 ( 5.133 0.000 -5.792) 7.739 0.859 ( 1.737 0.000 10.596) 10.738 1.043 ( -4.867 0.000 -0.086) 4.868 1.060 ( -1.598 0.000 4.563) 4.834 1.126 ( 1.042 0.000 -4.802) 4.914 1.210 ( -5.345 0.000 3.743) 6.526 1.237 ( -2.932 0.000 -3.929) 4.903 1.309 ( 1.662 0.000 1.604) 2.310 1.330 ( 0.032 0.000 -0.868) 0.869 1.428 ( -4.828 0.000 1.388) 5.023 1.525 ( 3.536 0.000 0.931) 3.656 1.534 ( 10.094 0.000 2.568) 10.415 1.607 ( 1.244 0.000 -3.810) 4.008 1.653 ( 2.004 0.000 -4.371) 4.809 1.714 ( 1.417 0.000 -6.097) 6.260 1.726 ( -2.826 0.000 0.506) 2.871 1.816 ( 6.027 0.000 9.133) 10.942 1.848 ( -4.500 0.000 -3.672) 5.808 1.877 ( -0.124 0.000 -2.606) 2.609 1.908 ( 0.803 0.000 -0.838) 1.161 1.983 ( 5.951 0.000 1.666) 6.180 2.019 ( 2.835 0.000 -4.801) 5.575 2.020 ( 3.264 0.000 1.646) 3.655 2.070 ( -0.533 0.000 0.434) 0.687 2.164 ( 3.391 0.000 5.502) 6.463 2.175 ( 0.877 0.000 1.607) 1.831 2.259 ( -6.471 0.000 -1.813) 6.720 2.304 ( 1.322 0.000 3.861) 4.081 2.317 ( -4.105 0.000 -1.025) 4.231 2.354 ( -1.082 0.000 -2.891) 3.087 2.396 ( 0.048 0.000 0.165) 0.172 2.434 ( -6.292 0.000 4.972) 8.019 2.460 ( -0.975 0.000 -2.439) 2.627 2.510 ( -1.735 0.000 6.369) 6.601 2.600 ( -4.674 0.000 -0.838) 4.748 2.664 ( -3.263 0.000 -3.393) 4.708 2.866 ( 0.964 0.000 1.200) 1.539 2.920 ( 0.224 0.000 -1.941) 1.954 3.029 ( -3.491 0.000 0.039) 3.491 3.057 ( -2.154 0.000 -2.891) 3.605 3.129 ( 6.805 0.000 2.850) 7.378 3.270 ( 4.222 0.000 -0.475) 4.249 3.359 ( 0.629 0.000 -1.090) 1.258 3.408 ( -4.293 0.000 -0.328) 4.306 3.810 ( 0.257 0.000 0.097) 0.275 3.844 ( -3.458 0.000 -1.984) 3.986 3.933 ( -7.127 0.000 1.174) 7.223 3.959 ( -4.217 0.000 -2.737) 5.028 4.295 ( -0.041 0.000 -2.952) 2.953 4.311 ( -0.135 0.000 6.219) 6.221 4.604 ( -1.750 0.000 1.024) 2.028 4.614 ( -2.986 0.000 0.324) 3.004 4.882 ( -3.743 0.000 -8.693) 9.465 4.924 ( -5.133 0.000 5.405) 7.454 5.123 ( -2.617 0.000 -0.038) 2.617 5.245 ( -3.844 0.000 4.556) 5.961 5.504 ( 1.239 0.000 -7.509) 7.611 5.666 ( -0.442 0.000 6.417) 6.432 6.017 ( 9.046 0.000 -0.359) 9.053 6.186 ( 2.516 0.000 8.788) 9.140 6.515 ( -4.346 0.000 -6.786) 8.058 6.531 ( -1.022 0.000 -1.473) 1.793 7.084 ( 5.221 0.000 -2.751) 5.902 7.103 ( 2.407 0.000 -0.073) 2.408 7.536 ( 3.797 0.000 3.102) 4.903 7.676 ( -0.704 0.000 -1.209) 1.399 11.619 ( 0.295 0.000 1.410) 1.441 11.653 ( -0.626 0.000 -0.881) 1.080 12.121 ( 5.513 0.000 -0.615) 5.548 12.332 ( -4.085 0.000 8.080) 9.054 13.125 ( 8.118 0.000 6.721) 10.539 13.411 ( -2.353 0.000 -12.685) 12.901 13.988 ( 2.472 0.000 1.547) 2.916 14.007 ( 1.978 0.000 -2.462) 3.158 15.126 ( 0.984 0.000 -4.947) 5.044 15.149 ( -0.504 0.000 5.750) 5.772 15.289 ( -2.470 0.000 5.720) 6.231 15.334 ( -3.207 0.000 -7.177) 7.861 16.063 ( -1.161 0.000 2.323) 2.597 16.089 ( -1.742 0.000 -5.007) 5.301 16.508 ( 3.577 0.000 2.803) 4.544 16.627 ( -0.724 0.000 -4.635) 4.691 ======================= Grid point 95 (44/56) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -5.615 0.000 -5.740) 8.029 0.574 ( 5.615 0.000 5.740) 8.029 0.841 ( 3.064 0.000 -7.756) 8.339 0.841 ( -3.064 0.000 7.756) 8.339 1.050 ( -3.684 0.000 0.848) 3.780 1.050 ( 3.684 0.000 -0.848) 3.780 1.135 ( -0.601 0.000 -2.437) 2.510 1.135 ( 0.601 0.000 2.437) 2.510 1.249 ( 6.550 0.000 -6.272) 9.068 1.249 ( -6.550 0.000 6.272) 9.068 1.349 ( -1.790 0.000 -1.953) 2.649 1.349 ( 1.790 0.000 1.953) 2.649 1.596 ( -2.827 0.000 -0.868) 2.957 1.596 ( 2.827 0.000 0.868) 2.957 1.658 ( 3.884 0.000 -1.464) 4.151 1.658 ( -3.884 0.000 1.464) 4.151 1.727 ( -5.718 0.000 -2.388) 6.197 1.727 ( 5.718 0.000 2.388) 6.197 1.847 ( 4.934 0.000 -5.140) 7.125 1.847 ( -4.934 0.000 5.140) 7.125 1.886 ( 4.622 0.000 -4.141) 6.206 1.886 ( -4.622 0.000 4.141) 6.206 2.003 ( -2.866 0.000 0.828) 2.983 2.003 ( 2.866 0.000 -0.828) 2.983 2.111 ( 0.569 0.000 -2.524) 2.588 2.111 ( -0.569 0.000 2.524) 2.588 2.182 ( 3.815 0.000 -3.855) 5.423 2.182 ( -3.815 0.000 3.855) 5.423 2.239 ( -1.471 0.000 -2.549) 2.943 2.239 ( 1.471 0.000 2.549) 2.943 2.304 ( 1.023 0.000 -5.314) 5.411 2.304 ( -1.023 0.000 5.314) 5.411 2.419 ( 1.719 0.000 -1.479) 2.268 2.419 ( -1.719 0.000 1.479) 2.268 2.459 ( -6.646 0.000 -3.074) 7.322 2.459 ( 6.646 0.000 3.074) 7.322 2.577 ( -4.260 0.000 -5.273) 6.779 2.577 ( 4.260 0.000 5.273) 6.779 2.903 ( -1.589 0.000 -1.523) 2.201 2.903 ( 1.589 0.000 1.523) 2.201 3.009 ( -1.109 0.000 -3.689) 3.852 3.009 ( 1.109 0.000 3.689) 3.852 3.278 ( -5.848 0.000 -2.956) 6.553 3.278 ( 5.848 0.000 2.956) 6.553 3.348 ( -1.134 0.000 -0.478) 1.230 3.348 ( 1.134 0.000 0.478) 1.230 3.811 ( 1.169 0.000 -2.055) 2.365 3.811 ( -1.169 0.000 2.055) 2.365 3.871 ( -2.742 0.000 -1.121) 2.962 3.871 ( 2.742 0.000 1.121) 2.962 4.308 ( 1.398 0.000 -5.462) 5.638 4.308 ( -1.398 0.000 5.462) 5.638 4.584 ( 0.107 0.000 -0.815) 0.822 4.584 ( -0.107 0.000 0.815) 0.822 4.840 ( 2.110 0.000 -8.012) 8.285 4.840 ( -2.110 0.000 8.012) 8.285 5.156 ( 4.244 0.000 -2.264) 4.810 5.156 ( -4.244 0.000 2.264) 4.810 5.596 ( 6.270 0.000 -3.820) 7.342 5.596 ( -6.270 0.000 3.820) 7.342 6.164 ( 4.967 0.000 -2.882) 5.743 6.164 ( -4.967 0.000 2.882) 5.743 6.496 ( -1.729 0.000 0.448) 1.786 6.496 ( 1.729 0.000 -0.448) 1.786 7.129 ( 0.017 0.000 -0.211) 0.211 7.129 ( -0.017 0.000 0.211) 0.211 7.625 ( -3.653 0.000 -2.140) 4.234 7.625 ( 3.653 0.000 2.140) 4.234 11.637 ( -0.844 0.000 -1.152) 1.428 11.637 ( 0.844 0.000 1.152) 1.428 12.229 ( -5.432 0.000 1.721) 5.698 12.229 ( 5.432 0.000 -1.721) 5.698 13.303 ( -5.940 0.000 -12.767) 14.081 13.303 ( 5.940 0.000 12.767) 14.081 14.020 ( -0.268 0.000 -1.976) 1.995 14.020 ( 0.268 0.000 1.976) 1.995 15.141 ( 1.219 0.000 -4.934) 5.083 15.141 ( -1.219 0.000 4.934) 5.083 15.281 ( -0.438 0.000 -7.833) 7.845 15.281 ( 0.438 0.000 7.833) 7.845 16.062 ( -0.208 0.000 -4.259) 4.264 16.062 ( 0.208 0.000 4.259) 4.264 16.580 ( -2.762 0.000 -3.368) 4.356 16.580 ( 2.762 0.000 3.368) 4.356 ======================= Grid point 99 (45/56) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -2.586 5.183 -4.028) 7.055 0.681 ( 2.586 5.183 4.028) 7.055 0.798 ( 1.759 5.467 -4.182) 7.104 0.798 ( -1.759 5.467 4.182) 7.104 1.098 ( -2.663 1.897 -2.709) 4.247 1.098 ( 2.663 1.897 2.709) 4.247 1.182 ( -0.912 -1.283 -4.808) 5.059 1.182 ( 0.912 -1.283 4.808) 5.059 1.260 ( -2.403 0.252 -0.766) 2.535 1.260 ( 2.403 0.252 0.766) 2.535 1.429 ( 2.288 1.518 -3.818) 4.703 1.429 ( -2.288 1.518 3.818) 4.703 1.481 ( -2.653 6.109 -8.292) 10.636 1.481 ( 2.653 6.109 8.292) 10.636 1.573 ( -5.990 2.051 -3.007) 7.009 1.573 ( 5.990 2.051 3.007) 7.009 1.691 ( 0.154 2.568 -2.936) 3.904 1.691 ( -0.154 2.568 2.936) 3.904 1.804 ( -0.047 -2.144 -3.503) 4.107 1.804 ( 0.047 -2.144 3.503) 4.107 1.857 ( 2.378 -2.489 -8.259) 8.948 1.857 ( -2.378 -2.489 8.259) 8.948 1.966 ( -1.985 -0.072 -1.583) 2.540 1.966 ( 1.985 -0.072 1.583) 2.540 2.054 ( -1.982 0.301 -3.620) 4.138 2.054 ( 1.982 0.301 3.620) 4.138 2.126 ( -1.667 -0.510 -0.252) 1.762 2.126 ( 1.667 -0.510 0.252) 1.762 2.240 ( -0.696 0.226 -0.863) 1.131 2.240 ( 0.696 0.226 0.863) 1.131 2.325 ( -2.493 -1.601 -2.270) 3.732 2.325 ( 2.493 -1.601 2.270) 3.732 2.532 ( -0.356 -3.284 -2.659) 4.241 2.532 ( 0.356 -3.284 2.659) 4.241 2.620 ( -1.092 -0.845 -2.309) 2.690 2.620 ( 1.092 -0.845 2.309) 2.690 2.742 ( 2.708 0.556 -3.580) 4.524 2.742 ( -2.708 0.556 3.580) 4.524 2.889 ( -2.165 0.458 -0.650) 2.307 2.889 ( 2.165 0.458 0.650) 2.307 3.015 ( 3.009 0.647 -2.495) 3.962 3.015 ( -3.009 0.647 2.495) 3.962 3.167 ( -1.535 1.767 -2.346) 3.314 3.167 ( 1.535 1.767 2.346) 3.314 3.424 ( -2.270 -2.531 -8.533) 9.185 3.424 ( 2.270 -2.531 8.533) 9.185 3.772 ( 0.119 -5.661 -0.737) 5.710 3.772 ( -0.119 -5.661 0.737) 5.710 4.083 ( 2.085 -2.850 -2.035) 4.076 4.083 ( -2.085 -2.850 2.035) 4.076 4.410 ( 0.348 3.553 -3.564) 5.045 4.410 ( -0.348 3.553 3.564) 5.045 4.697 ( -0.181 -0.191 -2.119) 2.135 4.697 ( 0.181 -0.191 2.119) 2.135 4.999 ( -3.724 4.037 -0.299) 5.500 4.999 ( 3.724 4.037 0.299) 5.500 5.424 ( -2.556 -2.786 -0.484) 3.812 5.424 ( 2.556 -2.786 0.484) 3.812 5.550 ( -4.751 2.991 -1.405) 5.788 5.550 ( 4.751 2.991 1.405) 5.788 5.896 ( -3.225 -2.069 -9.406) 10.157 5.896 ( 3.225 -2.069 9.406) 10.157 6.421 ( -9.176 -13.735 -10.139) 19.381 6.421 ( 9.176 -13.735 10.139) 19.381 7.006 ( -5.965 5.776 -1.226) 8.393 7.006 ( 5.965 5.776 1.226) 8.393 7.656 ( -1.976 8.188 -11.708) 14.423 7.656 ( 1.976 8.188 11.708) 14.423 11.711 ( -0.185 -1.487 -0.140) 1.505 11.711 ( 0.185 -1.487 0.140) 1.505 11.925 ( -5.267 -2.425 -3.087) 6.569 11.925 ( 5.267 -2.425 3.087) 6.569 13.255 ( -1.949 -5.876 -5.854) 8.521 13.255 ( 1.949 -5.876 5.854) 8.521 13.907 ( 0.599 0.711 -2.786) 2.937 13.907 ( -0.599 0.711 2.786) 2.937 15.120 ( -0.379 0.187 -2.847) 2.878 15.120 ( 0.379 0.187 2.847) 2.878 15.491 ( -1.253 4.735 -6.590) 8.211 15.491 ( 1.253 4.735 6.590) 8.211 16.233 ( -1.919 -1.336 -5.345) 5.834 16.233 ( 1.919 -1.336 5.345) 5.834 16.459 ( -8.483 1.939 1.388) 8.812 16.459 ( 8.483 1.939 -1.388) 8.812 ======================= Grid point 101 (46/56) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -6.279 4.721 -11.601) 14.010 0.637 ( -3.322 5.420 1.554) 6.544 0.771 ( 0.914 6.529 -4.546) 8.008 0.823 ( 4.245 7.004 10.807) 13.560 1.102 ( -2.944 0.340 -0.525) 3.010 1.135 ( -1.497 -0.239 -0.374) 1.561 1.205 ( 5.432 -0.989 1.446) 5.707 1.240 ( 3.788 1.181 0.904) 4.070 1.264 ( 1.852 1.738 -2.174) 3.343 1.316 ( -1.278 1.371 0.649) 1.983 1.371 ( 0.023 3.004 -1.348) 3.293 1.401 ( -4.341 3.887 -3.602) 6.850 1.453 ( 0.471 3.153 -2.242) 3.898 1.467 ( 1.299 0.872 -2.487) 2.938 1.613 ( 2.904 -0.754 5.787) 6.519 1.651 ( 1.115 0.365 0.837) 1.441 1.685 ( -0.697 -1.994 -0.564) 2.186 1.712 ( 2.927 3.937 4.296) 6.521 1.761 ( -2.338 1.513 0.939) 2.939 1.825 ( 2.990 -4.357 -2.780) 5.971 1.871 ( 2.185 -2.336 -2.371) 3.982 1.906 ( 0.554 1.870 2.343) 3.049 1.928 ( 1.146 0.101 -1.371) 1.789 1.943 ( -1.348 -0.924 -1.090) 1.964 2.001 ( -1.912 2.527 -1.805) 3.647 2.099 ( 1.994 1.038 1.386) 2.641 2.109 ( 0.098 1.294 0.344) 1.343 2.165 ( 1.498 -1.724 -0.262) 2.299 2.253 ( 0.222 -2.158 1.997) 2.949 2.295 ( 0.312 -1.991 -0.950) 2.228 2.317 ( 4.771 0.494 2.132) 5.249 2.393 ( 1.676 0.727 -1.486) 2.355 2.439 ( -4.481 -2.345 0.898) 5.137 2.508 ( -4.366 -0.637 -0.267) 4.420 2.558 ( -4.741 -0.291 0.237) 4.756 2.613 ( -3.403 -0.617 1.346) 3.711 2.652 ( -4.656 0.062 5.791) 7.431 2.750 ( -1.422 1.951 -3.283) 4.075 2.832 ( -2.464 -1.639 -0.929) 3.102 2.931 ( 1.280 -0.193 -0.057) 1.295 2.986 ( 0.660 -0.791 1.936) 2.193 3.077 ( 0.506 -2.165 -1.863) 2.901 3.116 ( -1.562 1.128 -2.199) 2.923 3.167 ( 0.108 0.173 -0.726) 0.754 3.380 ( -0.198 0.205 -4.555) 4.564 3.450 ( -1.288 -2.171 5.617) 6.158 3.762 ( -0.644 -3.986 -1.659) 4.365 3.791 ( 0.501 -8.323 -0.765) 8.373 4.010 ( -4.692 -1.057 1.485) 5.033 4.080 ( -1.953 -3.729 -4.086) 5.867 4.347 ( -5.139 4.328 1.763) 6.946 4.393 ( -1.857 3.644 3.560) 5.422 4.652 ( -3.694 -0.546 -0.558) 3.776 4.673 ( -2.052 -0.255 0.891) 2.251 4.902 ( -3.927 0.495 -1.344) 4.180 5.037 ( 0.616 2.645 -0.682) 2.800 5.285 ( -10.168 -2.681 2.055) 10.714 5.352 ( -8.419 2.041 2.535) 9.026 5.538 ( 2.123 -0.475 -9.657) 9.899 5.637 ( 3.769 4.262 6.005) 8.272 5.894 ( 3.975 1.588 -2.058) 4.749 6.034 ( 6.430 -1.612 7.921) 10.329 6.296 ( 2.054 -15.446 -4.573) 16.239 6.634 ( 1.756 -8.825 1.639) 9.146 6.902 ( 2.077 3.961 -1.590) 4.747 7.131 ( 4.389 4.906 -3.045) 7.253 7.594 ( -0.525 8.526 -3.987) 9.427 7.734 ( 1.732 6.302 6.341) 9.106 11.644 ( -2.819 0.052 1.391) 3.144 11.677 ( -1.804 -0.331 -0.455) 1.890 11.970 ( 6.020 -2.532 -1.141) 6.630 12.158 ( 10.893 -7.098 9.939) 16.365 13.072 ( -5.680 -1.474 -3.401) 6.783 13.362 ( 2.099 -7.419 -6.774) 10.263 13.925 ( 2.555 0.485 0.476) 2.644 13.956 ( 3.000 0.130 -0.360) 3.024 15.109 ( 0.048 -0.060 -1.765) 1.766 15.140 ( 0.734 0.461 2.043) 2.220 15.421 ( -3.886 5.024 -2.276) 6.747 15.478 ( -3.955 4.377 4.849) 7.637 16.132 ( -5.148 -0.257 -2.334) 5.658 16.169 ( -5.224 0.768 -3.032) 6.089 16.428 ( 3.509 0.803 2.145) 4.190 16.609 ( 4.706 0.333 -4.606) 6.593 ======================= Grid point 102 (47/56) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 1.508 5.228 -6.980) 8.850 0.643 ( 1.627 4.620 -0.445) 4.918 0.827 ( 3.837 4.468 -5.187) 7.848 0.904 ( -0.284 4.422 8.060) 9.198 1.060 ( -0.176 3.501 3.881) 5.229 1.130 ( 1.387 0.277 -5.273) 5.459 1.142 ( -3.423 5.231 1.542) 6.439 1.218 ( -5.392 0.798 2.255) 5.899 1.291 ( -2.965 5.030 -2.800) 6.476 1.304 ( 1.428 0.052 0.172) 1.440 1.333 ( -0.460 -0.286 1.919) 1.994 1.427 ( -5.046 -0.250 3.025) 5.889 1.507 ( 4.224 -1.417 -0.546) 4.489 1.541 ( 9.004 0.607 2.294) 9.312 1.605 ( 2.358 -2.808 -2.818) 4.625 1.647 ( -0.369 3.457 -0.900) 3.591 1.718 ( 3.909 -1.171 -3.344) 5.276 1.729 ( -1.032 -0.857 -3.138) 3.413 1.830 ( -2.859 0.614 -2.369) 3.764 1.844 ( 0.732 -0.615 1.258) 1.580 1.893 ( -0.908 -1.468 -0.222) 1.740 1.899 ( 4.710 2.738 -2.374) 5.943 1.950 ( 2.975 -1.963 -1.330) 3.805 1.991 ( 3.588 -1.572 2.799) 4.814 2.030 ( 2.547 1.191 0.195) 2.819 2.085 ( -2.196 0.611 1.098) 2.530 2.137 ( 1.294 0.052 -0.546) 1.406 2.240 ( 4.724 2.733 4.918) 7.347 2.251 ( 0.199 -3.476 -1.039) 3.633 2.274 ( -3.063 -3.598 -1.493) 4.955 2.314 ( -5.741 4.275 -1.462) 7.306 2.356 ( -2.645 -0.407 0.820) 2.799 2.410 ( 0.440 1.865 1.215) 2.269 2.429 ( -4.807 -0.710 3.467) 5.969 2.469 ( -1.982 0.273 -0.602) 2.089 2.526 ( -1.500 2.072 6.599) 7.077 2.588 ( -3.740 -1.226 -0.322) 3.949 2.697 ( -2.894 2.151 -3.773) 5.219 2.816 ( 1.595 -3.042 0.998) 3.577 2.924 ( -1.565 -1.237 -1.319) 2.391 3.000 ( -1.881 -2.443 0.677) 3.157 3.036 ( -1.488 -1.633 -1.773) 2.832 3.132 ( 4.052 -0.303 1.940) 4.503 3.221 ( 3.774 -2.659 -1.665) 4.907 3.364 ( -1.221 -1.221 -3.093) 3.542 3.406 ( -3.597 -0.461 1.445) 3.904 3.736 ( -1.048 -4.028 -2.113) 4.668 3.769 ( -2.193 -7.492 0.095) 7.807 3.923 ( -3.060 0.564 1.914) 3.653 4.006 ( -3.952 -1.185 -4.004) 5.750 4.266 ( -1.698 1.595 0.028) 2.330 4.347 ( -3.508 0.989 4.571) 5.846 4.585 ( -1.825 -1.597 0.282) 2.441 4.628 ( -2.557 1.191 1.188) 3.061 4.853 ( -0.486 -0.853 -2.939) 3.098 4.970 ( -6.379 2.354 0.566) 6.823 5.160 ( -2.161 2.954 -1.868) 4.109 5.232 ( -3.896 -1.157 4.318) 5.929 5.498 ( 0.389 -0.398 -7.746) 7.766 5.678 ( -1.948 0.881 5.557) 5.954 6.055 ( 8.937 3.614 -0.258) 9.643 6.158 ( 3.890 -2.736 3.679) 6.013 6.377 ( 3.813 -9.451 3.268) 10.702 6.539 ( -5.646 -0.812 -4.579) 7.315 7.039 ( 6.670 -1.202 2.041) 7.078 7.172 ( 0.449 3.877 -4.739) 6.139 7.620 ( 3.217 7.011 -1.915) 7.948 7.744 ( -1.443 5.430 3.002) 6.370 11.626 ( 0.400 0.703 1.231) 1.473 11.656 ( -0.409 0.351 -0.702) 0.885 12.090 ( 5.348 -3.117 -0.970) 6.265 12.265 ( -1.897 -6.384 6.488) 9.298 13.092 ( 6.393 -2.687 4.108) 8.060 13.342 ( -2.064 -6.356 -9.358) 11.499 13.986 ( 2.690 0.005 -0.728) 2.787 14.007 ( 1.643 -0.059 0.492) 1.716 15.119 ( 1.240 0.217 -1.659) 2.083 15.155 ( 0.147 0.682 1.962) 2.082 15.343 ( -3.104 4.127 1.138) 5.288 15.380 ( -4.643 3.695 -0.680) 5.973 16.064 ( -1.331 0.188 0.835) 1.583 16.092 ( -2.048 0.273 -3.613) 4.162 16.513 ( 3.822 0.534 2.476) 4.585 16.636 ( -0.654 0.553 -3.960) 4.051 ======================= Grid point 103 (48/56) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -5.601 3.114 -3.783) 7.442 0.602 ( 5.601 3.114 3.783) 7.442 0.874 ( 2.424 3.757 -5.536) 7.116 0.874 ( -2.424 3.757 5.536) 7.116 1.096 ( -4.071 3.154 -3.188) 6.057 1.096 ( 4.071 3.154 3.188) 6.057 1.169 ( -1.353 3.729 -5.449) 6.740 1.169 ( 1.353 3.729 5.449) 6.740 1.254 ( 3.608 0.422 -5.721) 6.777 1.254 ( -3.608 0.422 5.721) 6.777 1.355 ( -1.391 0.706 -0.817) 1.761 1.355 ( 1.391 0.706 0.817) 1.761 1.586 ( -2.159 -0.808 0.496) 2.358 1.586 ( 2.159 -0.808 -0.496) 2.358 1.670 ( 0.595 0.770 -1.078) 1.452 1.670 ( -0.595 0.770 1.078) 1.452 1.732 ( -5.168 0.480 -1.466) 5.393 1.732 ( 5.168 0.480 1.466) 5.393 1.823 ( 0.063 -2.288 -2.273) 3.225 1.823 ( -0.063 -2.288 2.273) 3.225 1.908 ( 0.062 0.906 -2.757) 2.903 1.908 ( -0.062 0.906 2.757) 2.903 1.999 ( -4.580 -0.952 0.878) 4.759 1.999 ( 4.580 -0.952 -0.878) 4.759 2.078 ( -0.691 -1.945 -0.166) 2.071 2.078 ( 0.691 -1.945 0.166) 2.071 2.175 ( -2.357 1.101 -2.524) 3.624 2.175 ( 2.357 1.101 2.524) 3.624 2.258 ( 1.768 0.305 -2.075) 2.743 2.258 ( -1.768 0.305 2.075) 2.744 2.317 ( 0.596 1.375 -3.322) 3.644 2.317 ( -0.596 1.375 3.322) 3.644 2.385 ( -1.509 -1.545 -2.279) 3.139 2.385 ( 1.509 -1.545 2.279) 3.139 2.476 ( -4.899 0.537 -2.446) 5.502 2.476 ( 4.899 0.537 2.446) 5.502 2.613 ( -4.604 2.782 -5.394) 7.618 2.613 ( 4.604 2.782 5.394) 7.618 2.875 ( -2.635 -2.661 -1.449) 4.016 2.875 ( 2.635 -2.661 1.449) 4.016 2.990 ( -1.007 -1.458 -3.571) 3.986 2.990 ( 1.007 -1.458 3.571) 3.986 3.245 ( -3.592 -3.006 -3.188) 5.666 3.245 ( 3.592 -3.006 3.188) 5.666 3.338 ( -0.569 -1.182 -1.338) 1.874 3.338 ( 0.569 -1.182 1.338) 1.874 3.730 ( 1.099 -4.943 -1.478) 5.275 3.730 ( -1.099 -4.943 1.478) 5.275 3.924 ( -2.492 1.239 -3.075) 4.148 3.924 ( 2.492 1.239 3.075) 4.148 4.282 ( 2.105 -1.152 -3.528) 4.267 4.282 ( -2.105 -1.152 3.528) 4.267 4.583 ( -0.735 -0.144 -0.270) 0.796 4.583 ( 0.735 -0.144 0.270) 0.796 4.872 ( 1.588 2.162 -6.608) 7.131 4.872 ( -1.588 2.162 6.608) 7.131 5.161 ( 2.711 0.734 -3.777) 4.707 5.161 ( -2.711 0.734 3.777) 4.707 5.584 ( 4.910 -1.179 -2.780) 5.764 5.584 ( -4.910 -1.179 2.780) 5.764 6.181 ( 1.889 1.321 -5.720) 6.167 6.181 ( -1.889 1.321 5.720) 6.167 6.447 ( -2.505 -3.932 -6.755) 8.207 6.447 ( 2.505 -3.932 6.755) 8.207 7.139 ( -2.217 1.347 -5.232) 5.840 7.139 ( 2.217 1.347 5.232) 5.840 7.694 ( 0.828 5.731 -5.685) 8.114 7.694 ( -0.828 5.731 5.685) 8.114 11.644 ( -0.720 0.664 -1.063) 1.446 11.644 ( 0.720 0.664 1.063) 1.446 12.190 ( 2.001 -3.914 -1.495) 4.643 12.190 ( -2.001 -3.914 1.495) 4.643 13.245 ( -5.368 -5.211 -9.880) 12.393 13.245 ( 5.368 -5.211 9.880) 12.393 14.020 ( 0.429 -0.025 -3.315) 3.343 14.020 ( -0.429 -0.025 3.315) 3.343 15.146 ( 1.323 0.815 -1.680) 2.288 15.146 ( -1.323 0.815 1.680) 2.288 15.318 ( -0.666 3.037 -2.844) 4.214 15.318 ( 0.666 3.037 2.844) 4.214 16.061 ( -0.288 0.009 -3.195) 3.208 16.061 ( 0.288 0.009 3.195) 3.208 16.589 ( -2.924 0.732 -3.003) 4.255 16.589 ( 2.924 0.732 3.003) 4.255 ======================= Grid point 107 (49/56) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 1.849 7.926 -5.750) 9.965 0.810 ( -1.849 7.926 5.750) 9.965 0.918 ( -2.194 5.768 -4.550) 7.667 0.918 ( 2.194 5.768 4.550) 7.667 1.138 ( -0.802 0.150 -2.861) 2.975 1.138 ( 0.802 0.150 2.861) 2.975 1.185 ( -4.994 3.078 -1.043) 5.958 1.185 ( 4.994 3.078 1.043) 5.958 1.281 ( -0.731 1.838 -0.597) 2.066 1.281 ( 0.731 1.838 0.597) 2.066 1.453 ( -0.243 -1.040 -2.455) 2.677 1.453 ( 0.243 -1.040 2.455) 2.677 1.533 ( -0.658 -1.386 -4.661) 4.907 1.533 ( 0.658 -1.386 4.661) 4.907 1.613 ( -1.992 1.236 -4.971) 5.496 1.613 ( 1.992 1.236 4.971) 5.496 1.684 ( 0.032 -0.853 -4.470) 4.551 1.684 ( -0.032 -0.853 4.470) 4.551 1.783 ( -1.917 -0.528 -5.047) 5.425 1.783 ( 1.917 -0.528 5.047) 5.425 1.909 ( -0.406 7.829 -2.468) 8.219 1.909 ( 0.406 7.829 2.468) 8.219 1.964 ( -5.177 -0.887 -0.411) 5.268 1.964 ( 5.177 -0.887 0.411) 5.268 2.045 ( 3.422 -0.642 -3.885) 5.217 2.045 ( -3.422 -0.642 3.885) 5.217 2.127 ( 0.206 0.513 -0.300) 0.629 2.127 ( -0.206 0.513 0.300) 0.629 2.226 ( -1.063 -0.826 -0.731) 1.532 2.226 ( 1.063 -0.826 0.731) 1.532 2.298 ( -2.172 -1.090 -2.975) 3.841 2.298 ( 2.172 -1.090 2.975) 3.841 2.465 ( -3.484 -3.096 -0.583) 4.697 2.465 ( 3.484 -3.096 0.583) 4.697 2.585 ( 0.592 -2.747 -2.046) 3.476 2.585 ( -0.592 -2.747 2.046) 3.476 2.769 ( -0.411 2.447 -1.171) 2.743 2.769 ( 0.411 2.447 1.171) 2.743 2.906 ( -1.922 1.016 -1.775) 2.807 2.906 ( 1.922 1.016 1.775) 2.807 3.036 ( 2.566 0.908 -3.708) 4.600 3.036 ( -2.566 0.908 3.708) 4.600 3.175 ( -0.922 -0.733 -2.891) 3.122 3.175 ( 0.922 -0.733 2.891) 3.122 3.348 ( -1.313 -4.785 -7.615) 9.089 3.348 ( 1.313 -4.785 7.615) 9.089 3.685 ( 0.727 -3.379 -1.021) 3.604 3.685 ( -0.727 -3.379 1.021) 3.604 3.968 ( 1.138 -6.725 -2.102) 7.138 3.968 ( -1.138 -6.725 2.102) 7.138 4.495 ( 1.497 3.286 -2.234) 4.246 4.495 ( -1.497 3.286 2.234) 4.246 4.713 ( -0.134 2.915 -2.052) 3.567 4.713 ( 0.134 2.915 2.052) 3.567 5.065 ( 1.057 0.683 -4.925) 5.083 5.065 ( -1.057 0.683 4.925) 5.083 5.384 ( -9.257 -0.187 0.084) 9.259 5.384 ( 9.257 -0.187 -0.084) 9.259 5.589 ( -6.369 0.684 0.189) 6.409 5.589 ( 6.369 0.684 -0.189) 6.409 5.867 ( -6.441 0.070 -7.546) 9.922 5.867 ( 6.441 0.070 7.546) 9.922 6.229 ( -7.898 -6.328 -11.916) 15.634 6.229 ( 7.898 -6.328 11.916) 15.634 7.093 ( -1.144 3.419 -4.212) 5.545 7.093 ( 1.144 3.419 4.212) 5.545 7.779 ( -1.194 3.925 -11.250) 11.975 7.779 ( 1.194 3.925 11.250) 11.975 11.686 ( 0.865 -0.810 -0.369) 1.241 11.686 ( -0.865 -0.810 0.369) 1.241 11.867 ( -2.842 -3.129 -1.570) 4.509 11.867 ( 2.842 -3.129 1.570) 4.509 13.144 ( -1.814 -4.837 -5.307) 7.406 13.144 ( 1.814 -4.837 5.307) 7.406 13.920 ( -0.060 0.549 -1.834) 1.915 13.920 ( 0.060 0.549 1.834) 1.915 15.149 ( 0.556 2.322 -1.953) 3.085 15.149 ( -0.556 2.322 1.953) 3.085 15.561 ( -0.610 2.142 -7.346) 7.676 15.561 ( 0.610 2.142 7.346) 7.676 16.206 ( -1.450 -1.304 -3.745) 4.222 16.206 ( 1.450 -1.304 3.745) 4.222 16.492 ( -5.563 1.222 1.098) 5.800 16.492 ( 5.563 1.222 -1.098) 5.800 ======================= Grid point 109 (50/56) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -4.734 8.718 -5.122) 11.164 0.763 ( -2.894 7.471 2.838) 8.499 0.921 ( 1.904 7.630 -6.559) 10.240 0.992 ( 2.665 9.035 7.202) 11.858 1.122 ( -0.960 -1.248 -0.364) 1.616 1.129 ( 0.409 1.474 -0.038) 1.531 1.193 ( 3.768 0.265 3.699) 5.287 1.250 ( 1.119 0.237 0.532) 1.261 1.294 ( 2.770 2.005 0.486) 3.454 1.339 ( 0.787 0.625 -1.698) 1.973 1.435 ( 0.807 0.506 -1.513) 1.788 1.444 ( -0.325 -1.429 1.241) 1.921 1.477 ( -4.076 0.384 -0.745) 4.161 1.528 ( -4.801 4.110 1.427) 6.478 1.569 ( -1.838 -0.775 1.527) 2.512 1.645 ( 1.218 -0.545 -0.479) 1.418 1.655 ( 1.390 -2.852 -3.543) 4.756 1.716 ( 1.528 -3.164 0.235) 3.522 1.761 ( 0.807 -1.694 -2.874) 3.432 1.842 ( -2.087 4.595 0.609) 5.083 1.876 ( 2.298 1.975 -1.402) 3.338 1.906 ( 3.132 3.184 1.020) 4.581 1.930 ( -0.235 0.709 -1.751) 1.904 1.982 ( -2.703 1.558 -0.382) 3.143 2.030 ( 0.197 -2.172 -0.402) 2.218 2.107 ( 2.346 2.266 2.845) 4.328 2.147 ( 0.944 0.950 -2.233) 2.604 2.159 ( 4.456 0.763 -1.719) 4.837 2.203 ( -2.061 -0.346 -2.500) 3.258 2.255 ( 0.752 -0.797 2.946) 3.144 2.318 ( 3.019 -1.641 0.686) 3.504 2.375 ( 3.891 -2.528 1.065) 4.761 2.401 ( -1.339 -0.669 2.850) 3.219 2.502 ( -1.718 -0.227 0.929) 1.967 2.530 ( -3.731 -2.958 1.190) 4.908 2.561 ( -1.702 -3.434 1.324) 4.054 2.689 ( -5.133 3.359 2.538) 6.638 2.790 ( -0.421 2.287 -1.730) 2.899 2.824 ( -4.554 0.397 -1.900) 4.951 2.920 ( -0.643 0.105 -0.231) 0.691 2.981 ( -3.311 0.051 3.238) 4.631 3.048 ( -1.525 -1.166 -2.424) 3.093 3.129 ( -1.559 0.035 -1.790) 2.373 3.183 ( 0.638 1.177 -1.286) 1.857 3.313 ( -0.548 -6.081 -3.370) 6.974 3.389 ( 0.202 -4.429 4.789) 6.526 3.659 ( -0.940 -4.300 0.682) 4.454 3.700 ( -0.275 -3.060 -1.390) 3.373 3.932 ( -2.628 -5.458 1.258) 6.187 3.970 ( -0.502 -5.681 -4.035) 6.986 4.444 ( -3.119 3.869 1.439) 5.174 4.478 ( -4.557 4.911 0.162) 6.701 4.613 ( -4.967 -2.065 1.299) 5.534 4.713 ( -2.871 3.254 0.897) 4.432 4.963 ( -7.092 4.294 0.511) 8.306 5.040 ( -0.132 -1.568 -1.760) 2.361 5.216 ( -6.562 -3.663 1.647) 7.694 5.374 ( -9.962 -1.396 -0.413) 10.068 5.549 ( 3.486 2.512 -7.628) 8.755 5.744 ( -0.370 5.697 4.769) 7.438 5.861 ( 9.604 -5.384 -3.286) 11.490 6.037 ( 5.179 3.862 2.849) 7.061 6.091 ( 3.698 -5.877 2.184) 7.279 6.464 ( 7.467 -7.852 3.961) 11.536 6.998 ( -1.257 5.592 -1.586) 5.947 7.199 ( 4.069 2.017 -3.745) 5.886 7.738 ( -0.218 5.456 -6.443) 8.446 7.828 ( 0.789 2.781 7.835) 8.351 11.650 ( -1.400 0.631 0.912) 1.787 11.672 ( -0.804 -0.036 -0.149) 0.818 11.910 ( 5.024 -3.225 -1.124) 6.075 12.009 ( 7.712 -7.243 3.497) 11.143 13.044 ( -3.225 -1.063 -2.089) 3.987 13.207 ( 1.373 -7.387 -1.457) 7.654 13.939 ( 2.255 0.722 -0.890) 2.529 13.957 ( 2.396 -0.048 1.006) 2.599 15.134 ( -0.323 2.358 0.757) 2.498 15.166 ( 0.833 1.849 -1.380) 2.453 15.502 ( -3.651 2.904 -4.303) 6.347 15.541 ( -4.151 1.678 7.927) 9.104 16.130 ( -3.683 0.087 -2.244) 4.314 16.175 ( -4.192 -0.361 -0.646) 4.257 16.459 ( 2.200 2.342 1.078) 3.389 16.601 ( 4.011 -1.227 -2.720) 5.000 ======================= Grid point 110 (51/56) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -0.580 9.252 -6.055) 11.073 0.760 ( 0.073 6.983 2.351) 7.369 0.947 ( 1.743 6.958 -3.845) 8.138 1.014 ( -2.282 5.410 3.253) 6.712 1.120 ( 1.077 0.312 -3.970) 4.125 1.160 ( 2.974 4.146 4.929) 7.094 1.228 ( -2.371 2.585 1.956) 4.016 1.255 ( -2.438 3.105 -0.820) 4.032 1.301 ( -2.937 -1.899 4.683) 5.845 1.318 ( 0.557 1.738 1.403) 2.302 1.393 ( -0.911 2.410 -0.567) 2.638 1.427 ( -4.081 2.023 2.694) 5.292 1.484 ( 4.339 -0.925 -1.979) 4.858 1.546 ( 6.844 -1.461 -1.212) 7.102 1.578 ( 2.485 1.107 0.911) 2.869 1.643 ( 0.323 -2.736 -1.990) 3.398 1.688 ( 1.574 -1.304 0.272) 2.061 1.733 ( -0.377 -2.578 0.634) 2.681 1.771 ( 1.372 -3.117 -2.538) 4.247 1.836 ( -1.089 -0.207 -0.422) 1.186 1.890 ( -0.454 -1.753 -3.332) 3.792 1.893 ( -2.830 -0.284 -3.206) 4.286 1.955 ( 1.828 1.614 -1.687) 2.965 2.014 ( 2.652 -0.876 1.563) 3.201 2.029 ( 1.590 1.784 -0.492) 2.440 2.111 ( -2.796 1.290 0.622) 3.141 2.160 ( 1.277 0.895 -2.360) 2.829 2.166 ( 0.508 -2.489 -2.925) 3.874 2.253 ( 4.382 2.423 0.763) 5.065 2.274 ( -1.298 0.370 2.963) 3.256 2.340 ( 2.757 0.631 -0.903) 2.969 2.375 ( -7.485 -0.988 1.000) 7.616 2.428 ( -0.716 0.225 1.754) 1.908 2.445 ( -1.088 0.852 2.498) 2.855 2.468 ( -0.754 1.520 1.141) 2.045 2.539 ( -1.389 -2.157 1.204) 2.834 2.605 ( -2.616 4.109 6.097) 7.804 2.718 ( -3.113 0.039 -4.173) 5.207 2.785 ( -0.037 0.063 1.106) 1.108 2.880 ( -3.188 -2.422 -1.042) 4.137 2.957 ( 0.709 -1.204 0.911) 1.668 3.003 ( -1.882 -1.530 -0.774) 2.547 3.114 ( 0.631 -1.361 1.050) 1.832 3.202 ( 1.183 0.043 -2.520) 2.784 3.299 ( -0.506 -4.941 -2.842) 5.723 3.362 ( -3.466 -4.185 1.579) 5.659 3.644 ( -0.602 -4.409 1.802) 4.801 3.676 ( -1.250 -2.412 -1.484) 3.095 3.877 ( -2.204 -4.424 1.883) 5.289 3.935 ( -1.917 -4.298 -4.821) 6.737 4.354 ( -4.443 6.200 0.334) 7.635 4.372 ( -5.020 1.897 2.240) 5.815 4.546 ( -1.139 -2.476 0.641) 2.800 4.645 ( -3.603 -0.290 1.671) 3.982 4.860 ( -1.833 1.652 -1.569) 2.924 4.998 ( -4.951 0.472 0.135) 4.975 5.192 ( 2.488 -0.302 1.675) 3.015 5.208 ( -4.554 -1.253 -0.462) 4.746 5.506 ( -2.188 1.666 -8.022) 8.480 5.682 ( -5.195 -0.893 1.510) 5.484 6.080 ( 9.101 -2.221 1.917) 9.562 6.153 ( 5.768 2.765 -6.023) 8.786 6.241 ( 6.214 -2.596 14.041) 15.572 6.502 ( -2.690 -2.976 -2.714) 4.844 7.062 ( 5.951 3.544 1.126) 7.017 7.234 ( -0.061 1.977 -4.674) 5.076 7.751 ( 2.341 5.615 -4.341) 7.474 7.836 ( -1.255 3.252 5.230) 6.285 11.646 ( 0.629 1.356 0.808) 1.699 11.667 ( 0.096 0.791 -0.320) 0.859 12.011 ( 4.505 -4.412 -1.110) 6.402 12.112 ( 0.993 -8.267 3.196) 8.919 13.046 ( 3.298 -1.630 1.141) 3.852 13.201 ( -1.363 -7.049 -3.686) 8.070 13.990 ( 2.471 0.384 -1.587) 2.962 14.004 ( 1.620 -0.194 1.608) 2.290 15.144 ( 1.164 2.117 0.651) 2.502 15.178 ( 0.562 1.484 -1.572) 2.233 15.413 ( -3.795 2.623 -1.956) 5.011 15.441 ( -5.611 1.994 4.767) 7.627 16.073 ( -1.330 0.790 -0.624) 1.668 16.101 ( -2.378 0.576 -1.537) 2.889 16.530 ( 3.602 1.230 1.635) 4.142 16.634 ( -0.094 -0.903 -2.626) 2.778 ======================= Grid point 111 (52/56) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -4.218 6.606 -0.475) 7.852 0.700 ( 4.218 6.606 0.475) 7.852 0.981 ( -0.491 5.942 -4.099) 7.236 0.981 ( 0.491 5.942 4.099) 7.236 1.147 ( -2.587 2.321 -1.645) 3.845 1.147 ( 2.587 2.321 1.645) 3.845 1.224 ( 3.857 0.619 -6.412) 7.508 1.224 ( -3.857 0.619 6.412) 7.508 1.296 ( -2.658 3.975 -2.474) 5.384 1.296 ( 2.658 3.975 2.474) 5.384 1.382 ( 0.500 2.377 -3.582) 4.328 1.382 ( -0.500 2.377 3.582) 4.328 1.576 ( -1.940 0.059 0.473) 1.998 1.576 ( 1.940 0.059 -0.473) 1.998 1.664 ( -1.727 -2.150 -2.051) 3.437 1.664 ( 1.727 -2.150 2.051) 3.437 1.723 ( -3.817 -1.971 -0.934) 4.396 1.723 ( 3.817 -1.971 0.934) 4.396 1.777 ( -2.664 -2.259 -3.744) 5.121 1.777 ( 2.664 -2.259 3.744) 5.121 1.872 ( 1.030 -3.224 -1.186) 3.586 1.872 ( -1.030 -3.224 1.186) 3.586 1.995 ( -2.057 1.502 -0.918) 2.707 1.995 ( 2.057 1.502 0.918) 2.707 2.069 ( -1.396 -0.365 -0.055) 1.444 2.069 ( 1.396 -0.365 0.055) 1.444 2.208 ( -2.186 1.079 -1.182) 2.709 2.208 ( 2.186 1.079 1.182) 2.709 2.229 ( 0.215 -2.121 -2.404) 3.213 2.229 ( -0.215 -2.121 2.404) 3.213 2.363 ( 2.433 2.300 -4.325) 5.469 2.363 ( -2.433 2.300 4.325) 5.469 2.403 ( 1.964 3.626 -5.558) 6.921 2.403 ( -1.964 3.626 5.558) 6.921 2.474 ( -3.606 -0.480 -0.363) 3.656 2.474 ( 3.606 -0.480 0.363) 3.656 2.657 ( -3.368 1.792 -6.769) 7.770 2.657 ( 3.368 1.792 6.769) 7.770 2.815 ( -2.366 -3.074 -0.883) 3.978 2.815 ( 2.366 -3.074 0.883) 3.978 2.971 ( -0.634 -0.179 -1.853) 1.967 2.971 ( 0.634 -0.179 1.853) 1.967 3.180 ( -2.845 -3.460 -3.175) 5.490 3.180 ( 2.845 -3.460 3.175) 5.490 3.294 ( -0.289 -3.183 -2.163) 3.859 3.294 ( 0.289 -3.183 2.163) 3.859 3.650 ( -0.631 -2.789 -2.943) 4.103 3.650 ( 0.631 -2.789 2.943) 4.103 3.881 ( -1.461 -4.703 -5.178) 7.146 3.881 ( 1.461 -4.703 5.178) 7.146 4.310 ( 0.534 3.868 -1.012) 4.034 4.310 ( -0.534 3.868 1.012) 4.034 4.572 ( -2.894 -1.392 -0.182) 3.217 4.572 ( 2.894 -1.392 0.182) 3.217 4.890 ( -1.474 -0.433 -4.061) 4.341 4.890 ( 1.474 -0.433 4.061) 4.341 5.193 ( -0.364 2.390 -5.072) 5.619 5.193 ( 0.364 2.390 5.072) 5.619 5.552 ( -5.116 -1.951 0.298) 5.484 5.552 ( 5.116 -1.951 -0.298) 5.484 6.193 ( -0.383 -0.332 -6.814) 6.833 6.193 ( 0.383 -0.332 6.814) 6.833 6.395 ( -5.930 -0.695 -9.213) 10.979 6.395 ( 5.930 -0.695 9.213) 10.979 7.180 ( -3.176 2.424 -5.322) 6.655 7.180 ( 3.176 2.424 5.322) 6.655 7.801 ( 1.922 4.500 -5.869) 7.641 7.801 ( -1.922 4.500 5.869) 7.641 11.663 ( -0.448 1.274 -0.780) 1.560 11.663 ( 0.448 1.274 0.780) 1.560 12.087 ( 2.829 -6.037 -1.580) 6.852 12.087 ( -2.829 -6.037 1.580) 6.852 13.138 ( -3.577 -4.922 -4.538) 7.590 13.138 ( 3.577 -4.922 4.538) 7.590 14.020 ( 0.490 0.046 -2.852) 2.894 14.020 ( -0.490 0.046 2.852) 2.894 15.174 ( -0.939 1.797 -1.240) 2.377 15.174 ( 0.939 1.797 1.240) 2.377 15.372 ( 0.857 2.005 -1.910) 2.899 15.372 ( -0.857 2.005 1.910) 2.899 16.068 ( -0.347 0.722 -1.301) 1.528 16.068 ( 0.347 0.722 1.301) 1.528 16.599 ( -2.473 0.231 -2.225) 3.334 16.599 ( 2.473 0.231 2.225) 3.334 ======================= Grid point 115 (53/56) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 3.059 6.471 -5.422) 8.979 0.969 ( -3.059 6.471 5.422) 8.979 1.015 ( -2.733 3.988 -4.633) 6.696 1.015 ( 2.733 3.988 4.633) 6.696 1.114 ( -0.030 -1.014 -1.063) 1.469 1.114 ( 0.030 -1.014 1.063) 1.469 1.249 ( -1.092 -0.465 0.192) 1.202 1.249 ( 1.092 -0.465 -0.192) 1.202 1.313 ( 1.481 1.641 -0.969) 2.413 1.313 ( -1.481 1.641 0.969) 2.413 1.356 ( -0.317 -3.918 -0.640) 3.982 1.356 ( 0.317 -3.918 0.640) 3.982 1.542 ( -0.852 0.264 -2.581) 2.731 1.542 ( 0.852 0.264 2.581) 2.731 1.562 ( -1.491 -2.919 -1.196) 3.489 1.562 ( 1.491 -2.919 1.196) 3.489 1.724 ( 2.346 3.317 -5.500) 6.838 1.724 ( -2.346 3.317 5.500) 6.838 1.781 ( 3.521 -1.156 -3.592) 5.161 1.781 ( -3.521 -1.156 3.592) 5.161 1.937 ( 0.644 0.312 -3.405) 3.479 1.937 ( -0.644 0.312 3.405) 3.479 2.011 ( -4.904 0.093 0.035) 4.905 2.011 ( 4.904 0.093 -0.035) 4.905 2.052 ( -5.657 -2.317 -4.331) 7.492 2.052 ( 5.657 -2.317 4.331) 7.492 2.159 ( -4.928 7.292 -2.656) 9.193 2.159 ( 4.928 7.292 2.656) 9.193 2.230 ( -3.981 0.714 -1.926) 4.480 2.230 ( 3.981 0.714 1.926) 4.480 2.304 ( -0.982 1.062 -2.780) 3.134 2.304 ( 0.982 1.062 2.780) 3.134 2.385 ( -4.232 -5.887 -5.239) 8.945 2.385 ( 4.232 -5.887 5.239) 8.945 2.537 ( 0.652 -1.157 -1.667) 2.131 2.537 ( -0.652 -1.157 1.667) 2.131 2.840 ( -1.144 4.294 -0.831) 4.521 2.840 ( 1.144 4.294 0.831) 4.521 2.911 ( -1.380 -1.242 -2.076) 2.785 2.911 ( 1.380 -1.242 2.076) 2.785 3.049 ( 0.903 0.989 -3.425) 3.678 3.049 ( -0.903 0.989 3.425) 3.678 3.136 ( -0.998 -3.165 -2.551) 4.186 3.136 ( 0.998 -3.165 2.551) 4.186 3.276 ( -0.359 -1.633 -2.908) 3.354 3.276 ( 0.359 -1.633 2.908) 3.354 3.634 ( 0.304 -1.593 -0.589) 1.726 3.634 ( -0.304 -1.593 0.589) 1.726 3.873 ( 0.450 -2.555 -0.727) 2.695 3.873 ( -0.450 -2.555 0.727) 2.695 4.519 ( -0.206 -0.002 -0.372) 0.425 4.519 ( 0.206 -0.002 0.372) 0.425 4.816 ( -2.176 6.064 -4.581) 7.905 4.816 ( 2.176 6.064 4.581) 7.905 5.005 ( -1.273 -5.152 -5.772) 7.840 5.005 ( 1.273 -5.152 5.772) 7.840 5.416 ( -6.505 2.001 0.814) 6.855 5.416 ( 6.505 2.001 -0.814) 6.855 5.583 ( 2.917 -0.770 -1.796) 3.511 5.583 ( -2.917 -0.770 1.796) 3.511 5.900 ( -3.695 2.161 -4.610) 6.291 5.900 ( 3.695 2.161 4.610) 6.291 6.141 ( -3.710 -2.754 -6.619) 8.072 6.141 ( 3.710 -2.754 6.619) 8.072 7.141 ( -0.491 1.335 -2.381) 2.774 7.141 ( 0.491 1.335 2.381) 2.774 7.820 ( -0.396 0.716 -4.408) 4.483 7.820 ( 0.396 0.716 4.408) 4.483 11.680 ( 0.051 0.034 -0.101) 0.118 11.680 ( -0.051 0.034 0.101) 0.118 11.817 ( -0.915 -1.588 -0.472) 1.893 11.817 ( 0.915 -1.588 0.472) 1.893 13.078 ( -0.594 -1.705 -1.946) 2.655 13.078 ( 0.594 -1.705 1.946) 2.655 13.927 ( -0.060 0.169 -0.629) 0.654 13.927 ( 0.060 0.169 0.629) 0.654 15.190 ( 0.408 1.398 -1.000) 1.767 15.190 ( -0.408 1.398 1.000) 1.767 15.582 ( -0.129 0.326 -3.071) 3.091 15.582 ( 0.129 0.326 3.071) 3.091 16.187 ( -0.541 -0.550 -1.352) 1.557 16.187 ( 0.541 -0.550 1.352) 1.557 16.506 ( -1.888 0.327 0.393) 1.956 16.506 ( 1.888 0.327 -0.393) 1.956 ======================= Grid point 117 (54/56) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -2.366 7.928 4.480) 9.409 0.923 ( -3.525 8.413 -5.444) 10.623 1.026 ( 0.591 0.044 -2.124) 2.205 1.067 ( 1.078 -2.523 -2.460) 3.685 1.120 ( 0.753 2.718 2.496) 3.767 1.175 ( 3.052 3.204 2.956) 5.322 1.196 ( 0.876 0.261 2.419) 2.586 1.265 ( 0.509 -2.962 -1.968) 3.593 1.292 ( 0.031 0.467 -1.880) 1.937 1.344 ( -0.630 -2.586 0.402) 2.692 1.366 ( 3.337 1.366 -0.216) 3.612 1.407 ( 2.904 -3.494 1.828) 4.897 1.505 ( -3.126 1.282 6.180) 7.043 1.547 ( 1.376 1.868 -0.020) 2.321 1.558 ( -1.152 -4.177 2.596) 5.051 1.617 ( 1.956 -2.053 2.683) 3.904 1.652 ( -4.627 3.320 -1.439) 5.874 1.709 ( -2.030 -0.469 -2.817) 3.504 1.772 ( 1.495 4.032 -4.457) 6.193 1.846 ( 1.274 -1.011 -3.508) 3.866 1.894 ( -2.182 -2.137 -1.182) 3.275 1.912 ( -3.357 -1.051 -0.991) 3.655 1.961 ( 0.478 -0.795 -0.081) 0.931 1.992 ( 2.428 -0.913 -0.406) 2.626 2.050 ( -2.630 5.080 -4.556) 7.313 2.119 ( 1.879 -0.888 -1.745) 2.713 2.137 ( -2.799 0.375 -0.572) 2.882 2.177 ( 2.811 -1.468 1.332) 3.440 2.249 ( 2.171 3.877 -0.852) 4.524 2.272 ( 2.402 2.203 0.763) 3.347 2.303 ( 1.186 0.177 -2.116) 2.432 2.349 ( 4.142 -3.558 -0.229) 5.465 2.380 ( 2.415 2.531 3.243) 4.770 2.476 ( 1.644 -3.876 4.368) 6.067 2.486 ( -3.452 -1.164 2.726) 4.550 2.502 ( -1.990 -0.732 3.537) 4.124 2.768 ( -5.211 4.291 -0.400) 6.762 2.827 ( -5.639 -0.911 -2.850) 6.384 2.844 ( -1.223 3.041 0.452) 3.308 2.901 ( -2.424 -2.512 0.888) 3.602 3.023 ( -2.020 3.476 0.400) 4.040 3.032 ( -1.993 -0.065 -1.788) 2.679 3.101 ( -1.595 -1.930 -0.878) 2.653 3.160 ( 1.282 -4.316 -0.693) 4.555 3.246 ( -0.977 0.595 -0.415) 1.217 3.291 ( -0.349 -4.278 1.627) 4.591 3.614 ( -1.076 -0.409 1.345) 1.770 3.640 ( -0.512 -2.705 0.586) 2.814 3.862 ( -0.704 -1.135 -0.863) 1.590 3.882 ( 0.285 -3.001 -2.214) 3.740 4.488 ( -2.315 1.541 0.577) 2.840 4.519 ( -1.275 -1.356 0.138) 1.867 4.651 ( -9.803 5.970 -1.379) 11.560 4.745 ( -8.651 -1.716 -0.123) 8.820 4.987 ( 1.379 0.727 2.102) 2.617 5.032 ( -1.323 -1.828 3.196) 3.912 5.199 ( -8.638 3.471 -1.354) 9.408 5.299 ( -10.213 -5.296 -1.962) 11.670 5.626 ( 2.011 4.692 -6.529) 8.288 5.724 ( 1.195 -5.293 -5.637) 7.824 5.884 ( 5.753 5.823 5.034) 9.609 5.992 ( 4.357 -5.031 5.402) 8.572 6.161 ( 7.216 7.699 2.016) 10.742 6.315 ( 7.969 -7.722 3.113) 11.525 7.113 ( 0.519 5.676 -2.345) 6.163 7.197 ( 2.803 -2.410 -2.967) 4.740 7.813 ( 0.606 2.594 -2.181) 3.443 7.846 ( 0.935 -0.680 3.637) 3.817 11.666 ( -0.338 0.834 0.400) 0.985 11.674 ( -0.116 0.033 0.115) 0.167 11.865 ( 4.218 -0.795 -0.477) 4.319 11.896 ( 5.029 -3.972 0.729) 6.450 13.042 ( -1.415 1.042 -0.703) 1.893 13.092 ( 0.030 -4.210 -0.002) 4.210 13.950 ( 2.165 0.393 -0.622) 2.287 13.955 ( 2.154 -0.150 0.464) 2.209 15.181 ( -0.319 1.903 0.341) 1.959 15.195 ( 0.222 0.631 -1.382) 1.535 15.538 ( -3.571 1.062 -1.167) 3.904 15.551 ( -3.812 -0.270 4.282) 5.739 16.138 ( -2.829 0.790 -1.095) 3.134 16.158 ( -2.828 -1.145 -0.204) 3.058 16.512 ( 1.993 2.816 0.042) 3.450 16.564 ( 2.938 -2.414 -1.159) 3.975 ======================= Grid point 118 (55/56) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -2.443 9.403 -5.192) 11.016 0.893 ( -1.721 5.265 1.250) 5.678 1.016 ( -0.855 -1.257 1.279) 1.987 1.051 ( -0.847 -4.289 -3.955) 5.895 1.127 ( 1.704 4.369 -2.023) 5.108 1.207 ( -0.804 -2.289 4.635) 5.232 1.274 ( 2.134 3.958 1.253) 4.668 1.290 ( 1.326 2.147 1.654) 3.017 1.318 ( 0.103 2.143 3.765) 4.333 1.365 ( 3.693 -1.204 2.272) 4.500 1.417 ( -3.169 3.120 2.486) 5.095 1.450 ( 3.914 1.452 0.628) 4.222 1.495 ( 3.400 -1.328 2.183) 4.253 1.524 ( -2.155 -0.806 -1.528) 2.762 1.575 ( 2.071 1.335 -2.338) 3.397 1.601 ( 2.754 -1.878 0.105) 3.335 1.655 ( 0.947 -3.877 2.423) 4.669 1.673 ( -0.595 -3.313 -3.548) 4.890 1.723 ( -4.456 2.900 -2.972) 6.091 1.824 ( -4.062 -4.244 -4.933) 7.671 1.846 ( -0.705 -0.265 -0.073) 0.757 1.864 ( -1.204 -1.559 -0.786) 2.121 1.998 ( 1.043 1.897 0.427) 2.206 2.034 ( 1.955 3.630 -1.205) 4.295 2.043 ( 0.038 -1.808 0.929) 2.034 2.092 ( -0.935 -1.394 -0.246) 1.696 2.136 ( 1.365 0.214 -2.388) 2.759 2.168 ( -0.570 -1.822 1.049) 2.178 2.287 ( -1.735 3.076 -1.825) 3.975 2.337 ( 2.014 -0.388 -1.428) 2.499 2.352 ( -1.991 0.375 -0.736) 2.156 2.373 ( 2.858 -0.373 -1.960) 3.486 2.391 ( 0.293 2.453 0.862) 2.617 2.459 ( -0.047 -1.131 0.036) 1.133 2.496 ( -0.266 0.481 4.214) 4.250 2.513 ( 0.643 -0.249 3.563) 3.629 2.670 ( -2.121 3.074 1.757) 4.127 2.721 ( -2.406 -0.581 -0.248) 2.487 2.797 ( -3.260 0.913 0.302) 3.399 2.832 ( -3.464 -2.448 0.402) 4.260 2.984 ( -0.801 2.128 -0.345) 2.300 2.996 ( -0.963 1.839 1.408) 2.508 3.077 ( -0.843 -0.964 0.184) 1.294 3.163 ( -1.442 -5.661 -2.053) 6.192 3.235 ( 0.035 0.082 -1.068) 1.071 3.270 ( -1.675 -3.755 -0.005) 4.111 3.602 ( -0.099 -0.108 2.886) 2.889 3.628 ( -0.226 -2.377 1.795) 2.987 3.822 ( -2.806 -0.251 -2.079) 3.502 3.858 ( -2.441 -3.331 -3.515) 5.423 4.421 ( -3.239 3.044 1.252) 4.618 4.480 ( -3.043 3.268 -0.597) 4.505 4.490 ( -3.353 -0.115 1.366) 3.622 4.597 ( -4.919 -4.524 0.220) 6.687 4.916 ( -5.574 3.675 -1.617) 6.869 4.981 ( -6.067 -2.364 -0.410) 6.524 5.176 ( 4.542 -0.675 2.467) 5.213 5.179 ( 0.763 -1.089 1.272) 1.840 5.564 ( -4.616 3.803 -7.205) 9.364 5.638 ( -5.946 -3.383 -4.181) 8.017 6.073 ( 8.371 1.563 4.189) 9.491 6.123 ( 5.495 -3.069 5.299) 8.228 6.311 ( 5.586 6.029 2.815) 8.687 6.423 ( 1.771 -5.065 -0.359) 5.378 7.155 ( 3.415 5.124 -1.319) 6.298 7.233 ( 0.984 -2.243 -3.256) 4.075 7.833 ( 1.545 2.878 -1.570) 3.624 7.864 ( 0.160 -0.198 2.692) 2.704 11.674 ( 0.840 1.244 0.364) 1.544 11.683 ( 0.651 0.468 0.045) 0.803 11.944 ( 3.099 -1.534 -0.465) 3.490 11.976 ( 2.082 -4.825 0.800) 5.316 13.038 ( 1.130 0.990 0.130) 1.508 13.088 ( -0.301 -4.213 -0.727) 4.286 13.997 ( 2.112 0.264 -0.830) 2.285 14.001 ( 1.816 -0.160 0.665) 1.941 15.186 ( 0.785 1.710 0.193) 1.892 15.200 ( 0.605 0.394 -1.617) 1.771 15.446 ( -4.461 1.011 -0.308) 4.585 15.457 ( -5.157 -0.075 3.342) 6.145 16.092 ( -1.272 1.004 -0.518) 1.701 16.106 ( -1.826 -0.245 -0.543) 1.921 16.562 ( 2.354 1.988 0.310) 3.097 16.603 ( 0.946 -2.073 -1.180) 2.566 ======================= Grid point 119 (56/56) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 2.200 5.504 -1.765) 6.185 0.831 ( -2.200 5.504 1.765) 6.185 1.030 ( -0.650 -1.197 -4.400) 4.606 1.030 ( 0.650 -1.197 4.400) 4.606 1.173 ( 2.224 0.532 -3.843) 4.472 1.173 ( -2.224 0.532 3.843) 4.472 1.292 ( 1.417 4.667 -2.959) 5.705 1.292 ( -1.417 4.667 2.959) 5.705 1.341 ( -1.789 2.734 -2.820) 4.316 1.341 ( 1.789 2.734 2.820) 4.316 1.452 ( -3.094 2.787 -4.134) 5.868 1.452 ( 3.094 2.787 4.134) 5.868 1.540 ( -0.906 -5.408 -1.023) 5.578 1.540 ( 0.906 -5.408 1.023) 5.578 1.627 ( -1.517 0.981 -0.988) 2.059 1.627 ( 1.517 0.981 0.988) 2.059 1.671 ( 0.060 -2.434 -1.158) 2.696 1.671 ( -0.060 -2.434 1.158) 2.696 1.723 ( -3.678 -2.568 -3.622) 5.765 1.723 ( 3.678 -2.568 3.622) 5.765 1.839 ( -0.513 -0.609 -0.078) 0.800 1.839 ( 0.513 -0.609 0.078) 0.800 2.029 ( 0.295 0.845 -0.834) 1.223 2.029 ( -0.295 0.845 0.834) 1.223 2.051 ( 0.307 -0.452 -1.105) 1.233 2.051 ( -0.307 -0.452 1.105) 1.233 2.195 ( -0.276 -0.532 -2.589) 2.657 2.195 ( 0.276 -0.532 2.589) 2.657 2.234 ( -1.246 0.792 -1.091) 1.836 2.234 ( 1.246 0.792 1.091) 1.836 2.383 ( 1.943 0.548 -2.112) 2.921 2.383 ( -1.943 0.548 2.112) 2.921 2.425 ( -0.436 -1.499 -0.940) 1.822 2.425 ( 0.436 -1.499 0.940) 1.822 2.517 ( -0.518 3.232 -1.686) 3.682 2.517 ( 0.518 3.232 1.686) 3.682 2.692 ( -0.440 0.832 -2.768) 2.924 2.692 ( 0.440 0.832 2.768) 2.924 2.775 ( -1.589 -0.178 -1.144) 1.966 2.775 ( 1.589 -0.178 1.144) 1.966 2.989 ( -0.575 2.037 -0.458) 2.165 2.989 ( 0.575 2.037 0.458) 2.165 3.095 ( -2.626 -4.976 -2.010) 5.975 3.095 ( 2.626 -4.976 2.010) 5.975 3.242 ( -0.437 -1.441 -0.884) 1.746 3.242 ( 0.437 -1.441 0.884) 1.746 3.624 ( -0.892 -0.218 -2.280) 2.458 3.624 ( 0.892 -0.218 2.280) 2.458 3.794 ( -1.035 -3.017 -3.048) 4.412 3.794 ( 1.035 -3.017 3.048) 4.412 4.409 ( -1.695 5.750 -1.314) 6.137 4.409 ( 1.695 5.750 1.314) 6.137 4.515 ( -2.822 -4.459 -1.291) 5.433 4.515 ( 2.822 -4.459 1.291) 5.433 4.873 ( -1.304 -0.722 -1.462) 2.088 4.873 ( 1.304 -0.722 1.462) 2.088 5.236 ( -0.922 1.436 -2.390) 2.936 5.236 ( 0.922 1.436 2.390) 2.936 5.519 ( -2.967 -1.046 -0.253) 3.156 5.519 ( 2.967 -1.046 0.253) 3.156 6.182 ( -0.143 -0.380 -2.226) 2.263 6.182 ( 0.143 -0.380 2.226) 2.263 6.401 ( -2.680 0.509 -3.414) 4.370 6.401 ( 2.680 0.509 3.414) 4.370 7.218 ( -1.510 1.128 -2.113) 2.832 7.218 ( 1.510 1.128 2.113) 2.832 7.860 ( 0.842 1.469 -2.375) 2.917 7.860 ( -0.842 1.469 2.375) 2.917 11.689 ( -0.149 1.010 -0.311) 1.067 11.689 ( 0.149 1.010 0.311) 1.067 11.986 ( 0.900 -3.314 -0.547) 3.477 11.986 ( -0.900 -3.314 0.547) 3.477 13.071 ( -1.220 -1.760 -1.058) 2.389 13.071 ( 1.220 -1.760 1.058) 2.389 14.021 ( 0.175 0.026 -1.027) 1.042 14.021 ( -0.175 0.026 1.027) 1.042 15.204 ( -0.338 0.994 -0.989) 1.442 15.204 ( 0.338 0.994 0.989) 1.442 15.394 ( 0.403 0.422 -1.554) 1.660 15.394 ( -0.403 0.422 1.554) 1.660 16.083 ( -0.257 0.538 -0.227) 0.638 16.083 ( 0.257 0.538 0.227) 0.638 16.599 ( -0.963 -0.099 -0.888) 1.314 16.599 ( 0.963 -0.099 0.888) 1.314 =================== 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 3/14112 10.0 13.927 20.003 21.981 0.000 3.557 0.000 3/14112 20.0 3.047 4.202 4.488 0.000 0.788 0.000 3/14112 30.0 1.602 2.113 2.239 0.000 0.383 0.000 3/14112 40.0 1.102 1.412 1.494 0.000 0.248 0.000 3/14112 50.0 0.854 1.073 1.133 0.000 0.185 0.000 3/14112 60.0 0.707 0.876 0.921 0.000 0.149 0.000 3/14112 70.0 0.608 0.746 0.782 0.000 0.125 0.000 3/14112 80.0 0.537 0.654 0.683 0.000 0.109 0.000 3/14112 90.0 0.483 0.584 0.609 0.000 0.097 0.000 3/14112 100.0 0.440 0.530 0.551 0.000 0.088 0.000 3/14112 110.0 0.405 0.487 0.505 0.000 0.080 0.000 3/14112 120.0 0.376 0.450 0.467 0.000 0.074 0.000 3/14112 130.0 0.351 0.420 0.435 0.000 0.069 0.000 3/14112 140.0 0.329 0.394 0.407 0.000 0.064 0.000 3/14112 150.0 0.311 0.371 0.383 0.000 0.060 0.000 3/14112 160.0 0.294 0.351 0.363 0.000 0.057 0.000 3/14112 170.0 0.279 0.333 0.344 0.000 0.054 0.000 3/14112 180.0 0.266 0.317 0.328 0.000 0.051 0.000 3/14112 190.0 0.254 0.302 0.313 0.000 0.049 0.000 3/14112 200.0 0.243 0.289 0.299 0.000 0.047 0.000 3/14112 210.0 0.233 0.277 0.287 0.000 0.045 0.000 3/14112 220.0 0.224 0.266 0.276 0.000 0.043 0.000 3/14112 230.0 0.216 0.256 0.265 0.000 0.041 0.000 3/14112 240.0 0.208 0.247 0.256 0.000 0.040 0.000 3/14112 250.0 0.201 0.238 0.247 0.000 0.038 0.000 3/14112 260.0 0.194 0.230 0.239 0.000 0.037 0.000 3/14112 270.0 0.188 0.222 0.231 0.000 0.036 0.000 3/14112 280.0 0.182 0.215 0.223 0.000 0.034 0.000 3/14112 290.0 0.176 0.208 0.217 0.000 0.033 0.000 3/14112 300.0 0.171 0.202 0.210 0.000 0.032 0.000 3/14112 310.0 0.166 0.196 0.204 0.000 0.031 0.000 3/14112 320.0 0.161 0.191 0.198 0.000 0.030 0.000 3/14112 330.0 0.157 0.185 0.193 0.000 0.030 0.000 3/14112 340.0 0.153 0.180 0.188 0.000 0.029 0.000 3/14112 350.0 0.149 0.175 0.183 0.000 0.028 0.000 3/14112 360.0 0.145 0.171 0.178 0.000 0.027 0.000 3/14112 370.0 0.141 0.167 0.174 0.000 0.027 0.000 3/14112 380.0 0.138 0.163 0.170 0.000 0.026 0.000 3/14112 390.0 0.134 0.159 0.166 0.000 0.025 0.000 3/14112 400.0 0.131 0.155 0.162 0.000 0.025 0.000 3/14112 410.0 0.128 0.151 0.158 0.000 0.024 0.000 3/14112 420.0 0.125 0.148 0.155 0.000 0.024 0.000 3/14112 430.0 0.123 0.145 0.151 0.000 0.023 0.000 3/14112 440.0 0.120 0.142 0.148 0.000 0.022 0.000 3/14112 450.0 0.118 0.139 0.145 0.000 0.022 0.000 3/14112 460.0 0.115 0.136 0.142 0.000 0.022 0.000 3/14112 470.0 0.113 0.133 0.139 0.000 0.021 0.000 3/14112 480.0 0.111 0.131 0.136 0.000 0.021 0.000 3/14112 490.0 0.109 0.128 0.134 0.000 0.020 0.000 3/14112 500.0 0.106 0.126 0.131 0.000 0.020 0.000 3/14112 510.0 0.105 0.123 0.129 0.000 0.020 0.000 3/14112 520.0 0.103 0.121 0.127 0.000 0.019 0.000 3/14112 530.0 0.101 0.119 0.124 0.000 0.019 0.000 3/14112 540.0 0.099 0.117 0.122 0.000 0.018 0.000 3/14112 550.0 0.097 0.115 0.120 0.000 0.018 0.000 3/14112 560.0 0.096 0.113 0.118 0.000 0.018 0.000 3/14112 570.0 0.094 0.111 0.116 0.000 0.018 0.000 3/14112 580.0 0.092 0.109 0.114 0.000 0.017 0.000 3/14112 590.0 0.091 0.107 0.112 0.000 0.017 0.000 3/14112 600.0 0.089 0.105 0.110 0.000 0.017 0.000 3/14112 610.0 0.088 0.104 0.109 0.000 0.016 0.000 3/14112 620.0 0.087 0.102 0.107 0.000 0.016 0.000 3/14112 630.0 0.085 0.100 0.105 0.000 0.016 0.000 3/14112 640.0 0.084 0.099 0.104 0.000 0.016 0.000 3/14112 650.0 0.083 0.097 0.102 0.000 0.015 0.000 3/14112 660.0 0.082 0.096 0.101 0.000 0.015 0.000 3/14112 670.0 0.080 0.095 0.099 0.000 0.015 0.000 3/14112 680.0 0.079 0.093 0.098 0.000 0.015 0.000 3/14112 690.0 0.078 0.092 0.096 0.000 0.015 0.000 3/14112 700.0 0.077 0.091 0.095 0.000 0.014 0.000 3/14112 710.0 0.076 0.089 0.094 0.000 0.014 0.000 3/14112 720.0 0.075 0.088 0.093 0.000 0.014 0.000 3/14112 730.0 0.074 0.087 0.091 0.000 0.014 0.000 3/14112 740.0 0.073 0.086 0.090 0.000 0.014 0.000 3/14112 750.0 0.072 0.085 0.089 0.000 0.013 0.000 3/14112 760.0 0.071 0.084 0.088 0.000 0.013 0.000 3/14112 770.0 0.070 0.083 0.087 0.000 0.013 0.000 3/14112 780.0 0.069 0.082 0.086 0.000 0.013 0.000 3/14112 790.0 0.069 0.081 0.085 0.000 0.013 0.000 3/14112 800.0 0.068 0.080 0.084 0.000 0.013 0.000 3/14112 810.0 0.067 0.079 0.083 0.000 0.012 0.000 3/14112 820.0 0.066 0.078 0.082 0.000 0.012 0.000 3/14112 830.0 0.065 0.077 0.081 0.000 0.012 0.000 3/14112 840.0 0.065 0.076 0.080 0.000 0.012 0.000 3/14112 850.0 0.064 0.075 0.079 0.000 0.012 0.000 3/14112 860.0 0.063 0.074 0.078 0.000 0.012 0.000 3/14112 870.0 0.062 0.073 0.077 0.000 0.012 0.000 3/14112 880.0 0.062 0.073 0.076 0.000 0.011 0.000 3/14112 890.0 0.061 0.072 0.075 0.000 0.011 0.000 3/14112 900.0 0.060 0.071 0.074 0.000 0.011 0.000 3/14112 910.0 0.060 0.070 0.074 0.000 0.011 0.000 3/14112 920.0 0.059 0.069 0.073 0.000 0.011 0.000 3/14112 930.0 0.058 0.069 0.072 0.000 0.011 0.000 3/14112 940.0 0.058 0.068 0.071 0.000 0.011 0.000 3/14112 950.0 0.057 0.067 0.071 0.000 0.011 0.000 3/14112 960.0 0.057 0.067 0.070 0.000 0.010 0.000 3/14112 970.0 0.056 0.066 0.069 0.000 0.010 0.000 3/14112 980.0 0.055 0.065 0.068 0.000 0.010 0.000 3/14112 990.0 0.055 0.065 0.068 0.000 0.010 0.000 3/14112 1000.0 0.054 0.064 0.067 0.000 0.010 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m674.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:15:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|