----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:17:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.338325970578205 0.000000000000000 0.000000000000000 b 0.000000000000000 10.246582580000000 0.000000000000000 c -1.675875434107714 0.000000000000000 7.138430612255690 Atomic positions (fractional): *1 Hg 0.60789032181471 0.17152763104808 0.90881193144992 200.590 2 Hg 0.39210967818529 0.82847236895192 0.09118806855008 200.590 3 Hg 0.39210967818529 0.67152763104808 0.59118806855008 200.590 4 Hg 0.60789032181471 0.32847236895192 0.40881193144992 200.590 *5 Se 0.83447080540654 0.57706104723668 0.17638014104764 78.960 6 Se 0.83447080540654 0.92293895276332 0.67638014104764 78.960 7 Se 0.16552919459346 0.07706104723668 0.32361985895236 78.960 8 Se 0.16552919459346 0.42293895276332 0.82361985895236 78.960 *9 O 0.33340287341475 0.47380968012537 0.63857113042032 15.999 *10 O 0.00623499018658 0.28068996095447 0.72867268365005 15.999 11 O 0.99376500981342 0.71931003904553 0.27132731634995 15.999 *12 O 0.50015024133033 0.63827726691561 0.02009883627611 15.999 13 O 0.66659712658525 0.97380968012537 0.86142886957968 15.999 14 O 0.50015024133033 0.86172273308439 0.52009883627611 15.999 15 O 0.49984975866967 0.36172273308439 0.97990116372389 15.999 16 O 0.33340287341475 0.02619031987463 0.13857113042032 15.999 17 O 0.66659712658525 0.52619031987463 0.36142886957968 15.999 18 O 0.99376500981342 0.78068996095447 0.77132731634995 15.999 19 O 0.49984975866967 0.13827726691561 0.47990116372389 15.999 20 O 0.00623499018658 0.21931003904553 0.22867268365005 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.338325970578205 0.000000000000000 0.000000000000000 b 0.000000000000000 10.246582580000000 0.000000000000000 c -1.675875434107714 0.000000000000000 7.138430612255690 Atomic positions (fractional): *1 Hg 0.60789032181471 0.17152763104808 0.90881193144992 200.590 > 1 2 Hg 0.39210967818529 0.82847236895192 0.09118806855008 200.590 > 2 3 Hg 0.39210967818529 0.67152763104808 0.59118806855008 200.590 > 3 4 Hg 0.60789032181471 0.32847236895192 0.40881193144992 200.590 > 4 *5 Se 0.83447080540654 0.57706104723668 0.17638014104764 78.960 > 5 6 Se 0.83447080540654 0.92293895276332 0.67638014104764 78.960 > 6 7 Se 0.16552919459346 0.07706104723668 0.32361985895236 78.960 > 7 8 Se 0.16552919459346 0.42293895276332 0.82361985895236 78.960 > 8 *9 O 0.33340287341475 0.47380968012537 0.63857113042032 15.999 > 9 *10 O 0.00623499018658 0.28068996095447 0.72867268365005 15.999 > 10 11 O 0.99376500981342 0.71931003904553 0.27132731634995 15.999 > 11 *12 O 0.50015024133033 0.63827726691561 0.02009883627611 15.999 > 12 13 O 0.66659712658525 0.97380968012537 0.86142886957968 15.999 > 13 14 O 0.50015024133033 0.86172273308439 0.52009883627611 15.999 > 14 15 O 0.49984975866967 0.36172273308439 0.97990116372389 15.999 > 15 16 O 0.33340287341475 0.02619031987463 0.13857113042032 15.999 > 16 17 O 0.66659712658525 0.52619031987463 0.36142886957968 15.999 > 17 18 O 0.99376500981342 0.78068996095447 0.77132731634995 15.999 > 18 19 O 0.49984975866967 0.13827726691561 0.47990116372389 15.999 > 19 20 O 0.00623499018658 0.21931003904553 0.22867268365005 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.014977911734615 0.000000000000000 0.000000000000000 b 0.000000000000000 10.246582580000000 0.000000000000000 c -3.351750868215428 0.000000000000000 14.276861224511380 Atomic positions (fractional): *1 Hg 0.20263010727157 0.17152763104808 0.45440596572496 200.590 > 1 2 Hg 0.53596344060490 0.17152763104808 0.45440596572496 200.590 > 1 3 Hg 0.86929677393824 0.17152763104808 0.45440596572496 200.590 > 1 4 Hg 0.20263010727157 0.17152763104808 0.95440596572496 200.590 > 1 5 Hg 0.53596344060490 0.17152763104808 0.95440596572496 200.590 > 1 6 Hg 0.86929677393824 0.17152763104808 0.95440596572496 200.590 > 1 7 Hg 0.13070322606176 0.82847236895192 0.04559403427504 200.590 > 2 8 Hg 0.46403655939510 0.82847236895192 0.04559403427504 200.590 > 2 9 Hg 0.79736989272843 0.82847236895192 0.04559403427504 200.590 > 2 10 Hg 0.13070322606176 0.82847236895192 0.54559403427504 200.590 > 2 11 Hg 0.46403655939510 0.82847236895192 0.54559403427504 200.590 > 2 12 Hg 0.79736989272843 0.82847236895192 0.54559403427504 200.590 > 2 13 Hg 0.13070322606176 0.67152763104808 0.29559403427504 200.590 > 3 14 Hg 0.46403655939510 0.67152763104808 0.29559403427504 200.590 > 3 15 Hg 0.79736989272843 0.67152763104808 0.29559403427504 200.590 > 3 16 Hg 0.13070322606176 0.67152763104808 0.79559403427504 200.590 > 3 17 Hg 0.46403655939510 0.67152763104808 0.79559403427504 200.590 > 3 18 Hg 0.79736989272843 0.67152763104808 0.79559403427504 200.590 > 3 19 Hg 0.20263010727157 0.32847236895192 0.20440596572496 200.590 > 4 20 Hg 0.53596344060490 0.32847236895192 0.20440596572496 200.590 > 4 21 Hg 0.86929677393824 0.32847236895192 0.20440596572496 200.590 > 4 22 Hg 0.20263010727157 0.32847236895192 0.70440596572496 200.590 > 4 23 Hg 0.53596344060490 0.32847236895192 0.70440596572496 200.590 > 4 24 Hg 0.86929677393824 0.32847236895192 0.70440596572496 200.590 > 4 *25 Se 0.27815693513551 0.57706104723668 0.08819007052382 78.960 > 5 26 Se 0.61149026846885 0.57706104723668 0.08819007052382 78.960 > 5 27 Se 0.94482360180218 0.57706104723668 0.08819007052382 78.960 > 5 28 Se 0.27815693513551 0.57706104723668 0.58819007052382 78.960 > 5 29 Se 0.61149026846885 0.57706104723668 0.58819007052382 78.960 > 5 30 Se 0.94482360180218 0.57706104723668 0.58819007052382 78.960 > 5 31 Se 0.27815693513551 0.92293895276332 0.33819007052382 78.960 > 6 32 Se 0.61149026846885 0.92293895276332 0.33819007052382 78.960 > 6 33 Se 0.94482360180218 0.92293895276332 0.33819007052382 78.960 > 6 34 Se 0.27815693513551 0.92293895276332 0.83819007052382 78.960 > 6 35 Se 0.61149026846885 0.92293895276332 0.83819007052382 78.960 > 6 36 Se 0.94482360180218 0.92293895276332 0.83819007052382 78.960 > 6 37 Se 0.05517639819782 0.07706104723668 0.16180992947618 78.960 > 7 38 Se 0.38850973153115 0.07706104723668 0.16180992947618 78.960 > 7 39 Se 0.72184306486449 0.07706104723668 0.16180992947618 78.960 > 7 40 Se 0.05517639819782 0.07706104723668 0.66180992947618 78.960 > 7 41 Se 0.38850973153115 0.07706104723668 0.66180992947618 78.960 > 7 42 Se 0.72184306486449 0.07706104723668 0.66180992947618 78.960 > 7 43 Se 0.05517639819782 0.42293895276332 0.41180992947618 78.960 > 8 44 Se 0.38850973153115 0.42293895276332 0.41180992947618 78.960 > 8 45 Se 0.72184306486449 0.42293895276332 0.41180992947618 78.960 > 8 46 Se 0.05517639819782 0.42293895276332 0.91180992947618 78.960 > 8 47 Se 0.38850973153115 0.42293895276332 0.91180992947618 78.960 > 8 48 Se 0.72184306486449 0.42293895276332 0.91180992947618 78.960 > 8 *49 O 0.11113429113825 0.47380968012537 0.31928556521016 15.999 > 9 50 O 0.44446762447158 0.47380968012537 0.31928556521016 15.999 > 9 51 O 0.77780095780492 0.47380968012537 0.31928556521016 15.999 > 9 52 O 0.11113429113825 0.47380968012537 0.81928556521016 15.999 > 9 53 O 0.44446762447158 0.47380968012537 0.81928556521016 15.999 > 9 54 O 0.77780095780492 0.47380968012537 0.81928556521016 15.999 > 9 *55 O 0.00207833006219 0.28068996095447 0.36433634182503 15.999 > 10 56 O 0.33541166339553 0.28068996095447 0.36433634182503 15.999 > 10 57 O 0.66874499672886 0.28068996095447 0.36433634182503 15.999 > 10 58 O 0.00207833006219 0.28068996095447 0.86433634182503 15.999 > 10 59 O 0.33541166339553 0.28068996095447 0.86433634182503 15.999 > 10 60 O 0.66874499672886 0.28068996095447 0.86433634182503 15.999 > 10 61 O 0.33125500327114 0.71931003904553 0.13566365817497 15.999 > 11 62 O 0.66458833660447 0.71931003904553 0.13566365817497 15.999 > 11 63 O 0.99792166993781 0.71931003904553 0.13566365817497 15.999 > 11 64 O 0.33125500327114 0.71931003904553 0.63566365817497 15.999 > 11 65 O 0.66458833660447 0.71931003904553 0.63566365817497 15.999 > 11 66 O 0.99792166993781 0.71931003904553 0.63566365817497 15.999 > 11 *67 O 0.16671674711011 0.63827726691561 0.01004941813806 15.999 > 12 68 O 0.50005008044344 0.63827726691561 0.01004941813806 15.999 > 12 69 O 0.83338341377678 0.63827726691561 0.01004941813806 15.999 > 12 70 O 0.16671674711011 0.63827726691561 0.51004941813806 15.999 > 12 71 O 0.50005008044344 0.63827726691561 0.51004941813806 15.999 > 12 72 O 0.83338341377678 0.63827726691561 0.51004941813806 15.999 > 12 73 O 0.22219904219508 0.97380968012537 0.43071443478984 15.999 > 13 74 O 0.55553237552842 0.97380968012537 0.43071443478984 15.999 > 13 75 O 0.88886570886175 0.97380968012537 0.43071443478984 15.999 > 13 76 O 0.22219904219508 0.97380968012537 0.93071443478984 15.999 > 13 77 O 0.55553237552842 0.97380968012537 0.93071443478984 15.999 > 13 78 O 0.88886570886175 0.97380968012537 0.93071443478984 15.999 > 13 79 O 0.16671674711011 0.86172273308439 0.26004941813805 15.999 > 14 80 O 0.50005008044344 0.86172273308439 0.26004941813805 15.999 > 14 81 O 0.83338341377678 0.86172273308439 0.26004941813805 15.999 > 14 82 O 0.16671674711011 0.86172273308439 0.76004941813806 15.999 > 14 83 O 0.50005008044344 0.86172273308439 0.76004941813806 15.999 > 14 84 O 0.83338341377678 0.86172273308439 0.76004941813806 15.999 > 14 85 O 0.16661658622322 0.36172273308439 0.48995058186195 15.999 > 15 86 O 0.49994991955656 0.36172273308439 0.48995058186195 15.999 > 15 87 O 0.83328325288989 0.36172273308439 0.48995058186195 15.999 > 15 88 O 0.16661658622322 0.36172273308439 0.98995058186194 15.999 > 15 89 O 0.49994991955656 0.36172273308439 0.98995058186194 15.999 > 15 90 O 0.83328325288989 0.36172273308439 0.98995058186194 15.999 > 15 91 O 0.11113429113825 0.02619031987463 0.06928556521016 15.999 > 16 92 O 0.44446762447158 0.02619031987463 0.06928556521016 15.999 > 16 93 O 0.77780095780492 0.02619031987463 0.06928556521016 15.999 > 16 94 O 0.11113429113825 0.02619031987463 0.56928556521016 15.999 > 16 95 O 0.44446762447158 0.02619031987463 0.56928556521016 15.999 > 16 96 O 0.77780095780492 0.02619031987463 0.56928556521016 15.999 > 16 97 O 0.22219904219508 0.52619031987463 0.18071443478984 15.999 > 17 98 O 0.55553237552842 0.52619031987463 0.18071443478984 15.999 > 17 99 O 0.88886570886175 0.52619031987463 0.18071443478984 15.999 > 17 100 O 0.22219904219508 0.52619031987463 0.68071443478984 15.999 > 17 101 O 0.55553237552842 0.52619031987463 0.68071443478984 15.999 > 17 102 O 0.88886570886175 0.52619031987463 0.68071443478984 15.999 > 17 103 O 0.33125500327114 0.78068996095447 0.38566365817497 15.999 > 18 104 O 0.66458833660447 0.78068996095447 0.38566365817497 15.999 > 18 105 O 0.99792166993781 0.78068996095447 0.38566365817497 15.999 > 18 106 O 0.33125500327114 0.78068996095447 0.88566365817497 15.999 > 18 107 O 0.66458833660447 0.78068996095447 0.88566365817497 15.999 > 18 108 O 0.99792166993781 0.78068996095447 0.88566365817497 15.999 > 18 109 O 0.16661658622322 0.13827726691561 0.23995058186195 15.999 > 19 110 O 0.49994991955656 0.13827726691561 0.23995058186195 15.999 > 19 111 O 0.83328325288989 0.13827726691561 0.23995058186195 15.999 > 19 112 O 0.16661658622322 0.13827726691561 0.73995058186194 15.999 > 19 113 O 0.49994991955656 0.13827726691561 0.73995058186194 15.999 > 19 114 O 0.83328325288989 0.13827726691561 0.73995058186194 15.999 > 19 115 O 0.00207833006219 0.21931003904553 0.11433634182503 15.999 > 20 116 O 0.33541166339553 0.21931003904553 0.11433634182503 15.999 > 20 117 O 0.66874499672886 0.21931003904553 0.11433634182503 15.999 > 20 118 O 0.00207833006219 0.21931003904553 0.61433634182503 15.999 > 20 119 O 0.33541166339553 0.21931003904553 0.61433634182503 15.999 > 20 120 O 0.66874499672886 0.21931003904553 0.61433634182503 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1072239 0.0000000 0.0726811 0.0000000 5.0118559 0.0000000 0.0726812 0.0000000 4.1445337 -------------------------- Born effective charges -------------------------- 1 Hg 2.0885321 -0.0658696 -0.0602137 -0.1544263 2.8715771 -0.1675805 -0.0526138 -0.0688070 2.1933991 2 Hg 2.0885321 -0.0658696 -0.0602137 -0.1544263 2.8715771 -0.1675805 -0.0526138 -0.0688070 2.1933991 3 Hg 2.0885321 0.0658696 -0.0602137 0.1544263 2.8715771 0.1675805 -0.0526138 0.0688070 2.1933991 4 Hg 2.0885321 0.0658696 -0.0602137 0.1544263 2.8715771 0.1675805 -0.0526138 0.0688070 2.1933991 5 Se 2.4430345 0.9850340 0.6296791 0.9603923 2.8037288 -1.1962480 0.3716853 0.1642877 2.8712861 6 Se 2.4430345 -0.9850340 0.6296791 -0.9603923 2.8037288 1.1962480 0.3716853 -0.1642877 2.8712861 7 Se 2.4430345 -0.9850340 0.6296791 -0.9603923 2.8037288 1.1962480 0.3716853 -0.1642877 2.8712861 8 Se 2.4430345 0.9850340 0.6296791 0.9603923 2.8037288 -1.1962480 0.3716853 0.1642877 2.8712861 9 O -1.3246217 -0.1244679 0.5962523 -1.0046043 -1.9466576 1.2440453 0.8648703 0.3372961 -1.8594437 10 O -1.6498419 -1.1624690 -0.6786657 -0.4899510 -1.9662853 -0.2191450 -0.2540807 -0.3266247 -1.5399524 11 O -1.6498419 -1.1624690 -0.6786657 -0.4899510 -1.9662853 -0.2191450 -0.2540807 -0.3266247 -1.5399524 12 O -1.5571030 0.5979988 -0.4870520 0.4194487 -1.7623630 0.2617105 -0.9298610 0.2764669 -1.6652891 13 O -1.3246217 0.1244679 0.5962523 1.0046043 -1.9466576 -1.2440453 0.8648703 -0.3372961 -1.8594437 14 O -1.5571030 -0.5979988 -0.4870520 -0.4194487 -1.7623630 -0.2617105 -0.9298610 -0.2764669 -1.6652891 15 O -1.5571030 0.5979988 -0.4870520 0.4194487 -1.7623630 0.2617105 -0.9298610 0.2764669 -1.6652891 16 O -1.3246217 0.1244679 0.5962523 1.0046043 -1.9466576 -1.2440453 0.8648703 -0.3372961 -1.8594437 17 O -1.3246217 -0.1244679 0.5962523 -1.0046043 -1.9466576 1.2440453 0.8648703 0.3372961 -1.8594437 18 O -1.6498419 1.1624690 -0.6786657 0.4899510 -1.9662853 0.2191450 -0.2540807 0.3266247 -1.5399524 19 O -1.5571030 -0.5979988 -0.4870520 -0.4194487 -1.7623630 -0.2617105 -0.9298610 -0.2764669 -1.6652891 20 O -1.6498419 1.1624690 -0.6786657 0.4899510 -1.9662853 0.2191450 -0.2540807 0.3266247 -1.5399524 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2805 Number of blocks in projector: 2805 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: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 92 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 92 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 600 / 600 (1) 95 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 335 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 335 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 335 Use standard eigh solver. Tree of FC basis block matrices: - (2805, 2761), data: False |-- (335, 330), data: True |-- (335, 330), data: True |-- (335, 330), data: True |-- (600, 591), data: False |-- (600, 5), data: (600, 14) @ (14, 5) |-- (100, 95), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (600, 590), data: False |-- (600, 8), data: (600, 18) @ (18, 8) |-- (100, 92), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (600, 590), data: False |-- (600, 8), data: (600, 18) @ (18, 8) |-- (100, 92), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 1.828 Solver_block: 200 / 640 - Time: 0.970 Solver_block: 300 / 640 - Time: 1.186 Solver_block: 400 / 640 - Time: 0.877 Solver_block: 500 / 640 - Time: 0.860 Solver_block: 600 / 640 - Time: 0.839 Solver_block: 640 / 640 - Time: 0.437 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.218 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zx) -0.00000000 (zx) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2805 Number of blocks in projector: 2805 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: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 92 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 92 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 600 / 600 (1) 95 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 335 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 335 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 335 Use standard eigh solver. Tree of FC basis block matrices: - (2805, 2761), data: False |-- (335, 330), data: True |-- (335, 330), data: True |-- (335, 330), data: True |-- (600, 591), data: False |-- (600, 5), data: (600, 14) @ (14, 5) |-- (100, 95), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (600, 590), data: False |-- (600, 8), data: (600, 18) @ (18, 8) |-- (100, 92), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (600, 590), data: False |-- (600, 8), data: (600, 18) @ (18, 8) |-- (100, 92), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zx) -0.00000000 (zx) 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 13:18:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:18:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.338325970578205 0.000000000000000 0.000000000000000 b 0.000000000000000 10.246582580000000 0.000000000000000 c -1.675875434107714 0.000000000000000 7.138430612255690 Atomic positions (fractional): 1 Hg 0.60789032181471 0.17152763104808 0.90881193144992 200.590 2 Hg 0.39210967818529 0.82847236895192 0.09118806855008 200.590 3 Hg 0.39210967818529 0.67152763104808 0.59118806855008 200.590 4 Hg 0.60789032181471 0.32847236895192 0.40881193144992 200.590 5 Se 0.83447080540654 0.57706104723668 0.17638014104764 78.960 6 Se 0.83447080540654 0.92293895276332 0.67638014104764 78.960 7 Se 0.16552919459346 0.07706104723668 0.32361985895236 78.960 8 Se 0.16552919459346 0.42293895276332 0.82361985895236 78.960 9 O 0.33340287341475 0.47380968012537 0.63857113042032 15.999 10 O 0.00623499018658 0.28068996095447 0.72867268365005 15.999 11 O 0.99376500981342 0.71931003904553 0.27132731634995 15.999 12 O 0.50015024133033 0.63827726691561 0.02009883627611 15.999 13 O 0.66659712658525 0.97380968012537 0.86142886957968 15.999 14 O 0.50015024133033 0.86172273308439 0.52009883627611 15.999 15 O 0.49984975866967 0.36172273308439 0.97990116372389 15.999 16 O 0.33340287341475 0.02619031987463 0.13857113042032 15.999 17 O 0.66659712658525 0.52619031987463 0.36142886957968 15.999 18 O 0.99376500981342 0.78068996095447 0.77132731634995 15.999 19 O 0.49984975866967 0.13827726691561 0.47990116372389 15.999 20 O 0.00623499018658 0.21931003904553 0.22867268365005 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.014977911734615 0.000000000000000 0.000000000000000 b 0.000000000000000 10.246582580000000 0.000000000000000 c -3.351750868215428 0.000000000000000 14.276861224511380 Atomic positions (fractional): 1 Hg 0.20263010727157 0.17152763104808 0.45440596572496 200.590 > 1 2 Hg 0.53596344060490 0.17152763104808 0.45440596572496 200.590 > 1 3 Hg 0.86929677393824 0.17152763104808 0.45440596572496 200.590 > 1 4 Hg 0.20263010727157 0.17152763104808 0.95440596572496 200.590 > 1 5 Hg 0.53596344060490 0.17152763104808 0.95440596572496 200.590 > 1 6 Hg 0.86929677393824 0.17152763104808 0.95440596572496 200.590 > 1 7 Hg 0.13070322606176 0.82847236895192 0.04559403427504 200.590 > 7 8 Hg 0.46403655939510 0.82847236895192 0.04559403427504 200.590 > 7 9 Hg 0.79736989272843 0.82847236895192 0.04559403427504 200.590 > 7 10 Hg 0.13070322606176 0.82847236895192 0.54559403427504 200.590 > 7 11 Hg 0.46403655939510 0.82847236895192 0.54559403427504 200.590 > 7 12 Hg 0.79736989272843 0.82847236895192 0.54559403427504 200.590 > 7 13 Hg 0.13070322606176 0.67152763104808 0.29559403427504 200.590 > 13 14 Hg 0.46403655939510 0.67152763104808 0.29559403427504 200.590 > 13 15 Hg 0.79736989272843 0.67152763104808 0.29559403427504 200.590 > 13 16 Hg 0.13070322606176 0.67152763104808 0.79559403427504 200.590 > 13 17 Hg 0.46403655939510 0.67152763104808 0.79559403427504 200.590 > 13 18 Hg 0.79736989272843 0.67152763104808 0.79559403427504 200.590 > 13 19 Hg 0.20263010727157 0.32847236895192 0.20440596572496 200.590 > 19 20 Hg 0.53596344060490 0.32847236895192 0.20440596572496 200.590 > 19 21 Hg 0.86929677393824 0.32847236895192 0.20440596572496 200.590 > 19 22 Hg 0.20263010727157 0.32847236895192 0.70440596572496 200.590 > 19 23 Hg 0.53596344060490 0.32847236895192 0.70440596572496 200.590 > 19 24 Hg 0.86929677393824 0.32847236895192 0.70440596572496 200.590 > 19 25 Se 0.27815693513551 0.57706104723668 0.08819007052382 78.960 > 25 26 Se 0.61149026846885 0.57706104723668 0.08819007052382 78.960 > 25 27 Se 0.94482360180218 0.57706104723668 0.08819007052382 78.960 > 25 28 Se 0.27815693513551 0.57706104723668 0.58819007052382 78.960 > 25 29 Se 0.61149026846885 0.57706104723668 0.58819007052382 78.960 > 25 30 Se 0.94482360180218 0.57706104723668 0.58819007052382 78.960 > 25 31 Se 0.27815693513551 0.92293895276332 0.33819007052382 78.960 > 31 32 Se 0.61149026846885 0.92293895276332 0.33819007052382 78.960 > 31 33 Se 0.94482360180218 0.92293895276332 0.33819007052382 78.960 > 31 34 Se 0.27815693513551 0.92293895276332 0.83819007052382 78.960 > 31 35 Se 0.61149026846885 0.92293895276332 0.83819007052382 78.960 > 31 36 Se 0.94482360180218 0.92293895276332 0.83819007052382 78.960 > 31 37 Se 0.05517639819782 0.07706104723668 0.16180992947618 78.960 > 37 38 Se 0.38850973153115 0.07706104723668 0.16180992947618 78.960 > 37 39 Se 0.72184306486449 0.07706104723668 0.16180992947618 78.960 > 37 40 Se 0.05517639819782 0.07706104723668 0.66180992947618 78.960 > 37 41 Se 0.38850973153115 0.07706104723668 0.66180992947618 78.960 > 37 42 Se 0.72184306486449 0.07706104723668 0.66180992947618 78.960 > 37 43 Se 0.05517639819782 0.42293895276332 0.41180992947618 78.960 > 43 44 Se 0.38850973153115 0.42293895276332 0.41180992947618 78.960 > 43 45 Se 0.72184306486449 0.42293895276332 0.41180992947618 78.960 > 43 46 Se 0.05517639819782 0.42293895276332 0.91180992947618 78.960 > 43 47 Se 0.38850973153115 0.42293895276332 0.91180992947618 78.960 > 43 48 Se 0.72184306486449 0.42293895276332 0.91180992947618 78.960 > 43 49 O 0.11113429113825 0.47380968012537 0.31928556521016 15.999 > 49 50 O 0.44446762447158 0.47380968012537 0.31928556521016 15.999 > 49 51 O 0.77780095780492 0.47380968012537 0.31928556521016 15.999 > 49 52 O 0.11113429113825 0.47380968012537 0.81928556521016 15.999 > 49 53 O 0.44446762447158 0.47380968012537 0.81928556521016 15.999 > 49 54 O 0.77780095780492 0.47380968012537 0.81928556521016 15.999 > 49 55 O 0.00207833006219 0.28068996095447 0.36433634182503 15.999 > 55 56 O 0.33541166339553 0.28068996095447 0.36433634182503 15.999 > 55 57 O 0.66874499672886 0.28068996095447 0.36433634182503 15.999 > 55 58 O 0.00207833006219 0.28068996095447 0.86433634182503 15.999 > 55 59 O 0.33541166339553 0.28068996095447 0.86433634182503 15.999 > 55 60 O 0.66874499672886 0.28068996095447 0.86433634182503 15.999 > 55 61 O 0.33125500327114 0.71931003904553 0.13566365817497 15.999 > 61 62 O 0.66458833660447 0.71931003904553 0.13566365817497 15.999 > 61 63 O 0.99792166993781 0.71931003904553 0.13566365817497 15.999 > 61 64 O 0.33125500327114 0.71931003904553 0.63566365817497 15.999 > 61 65 O 0.66458833660447 0.71931003904553 0.63566365817497 15.999 > 61 66 O 0.99792166993781 0.71931003904553 0.63566365817497 15.999 > 61 67 O 0.16671674711011 0.63827726691561 0.01004941813806 15.999 > 67 68 O 0.50005008044344 0.63827726691561 0.01004941813806 15.999 > 67 69 O 0.83338341377678 0.63827726691561 0.01004941813806 15.999 > 67 70 O 0.16671674711011 0.63827726691561 0.51004941813806 15.999 > 67 71 O 0.50005008044344 0.63827726691561 0.51004941813806 15.999 > 67 72 O 0.83338341377678 0.63827726691561 0.51004941813806 15.999 > 67 73 O 0.22219904219508 0.97380968012537 0.43071443478984 15.999 > 73 74 O 0.55553237552842 0.97380968012537 0.43071443478984 15.999 > 73 75 O 0.88886570886175 0.97380968012537 0.43071443478984 15.999 > 73 76 O 0.22219904219508 0.97380968012537 0.93071443478984 15.999 > 73 77 O 0.55553237552842 0.97380968012537 0.93071443478984 15.999 > 73 78 O 0.88886570886175 0.97380968012537 0.93071443478984 15.999 > 73 79 O 0.16671674711011 0.86172273308439 0.26004941813805 15.999 > 79 80 O 0.50005008044344 0.86172273308439 0.26004941813805 15.999 > 79 81 O 0.83338341377678 0.86172273308439 0.26004941813805 15.999 > 79 82 O 0.16671674711011 0.86172273308439 0.76004941813806 15.999 > 79 83 O 0.50005008044344 0.86172273308439 0.76004941813806 15.999 > 79 84 O 0.83338341377678 0.86172273308439 0.76004941813806 15.999 > 79 85 O 0.16661658622322 0.36172273308439 0.48995058186195 15.999 > 85 86 O 0.49994991955656 0.36172273308439 0.48995058186195 15.999 > 85 87 O 0.83328325288989 0.36172273308439 0.48995058186195 15.999 > 85 88 O 0.16661658622322 0.36172273308439 0.98995058186194 15.999 > 85 89 O 0.49994991955656 0.36172273308439 0.98995058186194 15.999 > 85 90 O 0.83328325288989 0.36172273308439 0.98995058186194 15.999 > 85 91 O 0.11113429113825 0.02619031987463 0.06928556521016 15.999 > 91 92 O 0.44446762447158 0.02619031987463 0.06928556521016 15.999 > 91 93 O 0.77780095780492 0.02619031987463 0.06928556521016 15.999 > 91 94 O 0.11113429113825 0.02619031987463 0.56928556521016 15.999 > 91 95 O 0.44446762447158 0.02619031987463 0.56928556521016 15.999 > 91 96 O 0.77780095780492 0.02619031987463 0.56928556521016 15.999 > 91 97 O 0.22219904219508 0.52619031987463 0.18071443478984 15.999 > 97 98 O 0.55553237552842 0.52619031987463 0.18071443478984 15.999 > 97 99 O 0.88886570886175 0.52619031987463 0.18071443478984 15.999 > 97 100 O 0.22219904219508 0.52619031987463 0.68071443478984 15.999 > 97 101 O 0.55553237552842 0.52619031987463 0.68071443478984 15.999 > 97 102 O 0.88886570886175 0.52619031987463 0.68071443478984 15.999 > 97 103 O 0.33125500327114 0.78068996095447 0.38566365817497 15.999 > 103 104 O 0.66458833660447 0.78068996095447 0.38566365817497 15.999 > 103 105 O 0.99792166993781 0.78068996095447 0.38566365817497 15.999 > 103 106 O 0.33125500327114 0.78068996095447 0.88566365817497 15.999 > 103 107 O 0.66458833660447 0.78068996095447 0.88566365817497 15.999 > 103 108 O 0.99792166993781 0.78068996095447 0.88566365817497 15.999 > 103 109 O 0.16661658622322 0.13827726691561 0.23995058186195 15.999 > 109 110 O 0.49994991955656 0.13827726691561 0.23995058186195 15.999 > 109 111 O 0.83328325288989 0.13827726691561 0.23995058186195 15.999 > 109 112 O 0.16661658622322 0.13827726691561 0.73995058186194 15.999 > 109 113 O 0.49994991955656 0.13827726691561 0.73995058186194 15.999 > 109 114 O 0.83328325288989 0.13827726691561 0.73995058186194 15.999 > 109 115 O 0.00207833006219 0.21931003904553 0.11433634182503 15.999 > 115 116 O 0.33541166339553 0.21931003904553 0.11433634182503 15.999 > 115 117 O 0.66874499672886 0.21931003904553 0.11433634182503 15.999 > 115 118 O 0.00207833006219 0.21931003904553 0.61433634182503 15.999 > 115 119 O 0.33541166339553 0.21931003904553 0.61433634182503 15.999 > 115 120 O 0.66874499672886 0.21931003904553 0.61433634182503 15.999 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1072239 0.0000000 0.0726811 0.0000000 5.0118559 0.0000000 0.0726812 0.0000000 4.1445337 -------------------------- Born effective charges -------------------------- 1 Hg 2.0885321 -0.0658696 -0.0602137 -0.1544263 2.8715771 -0.1675805 -0.0526138 -0.0688070 2.1933991 2 Hg 2.0885321 -0.0658696 -0.0602137 -0.1544263 2.8715771 -0.1675805 -0.0526138 -0.0688070 2.1933991 3 Hg 2.0885321 0.0658696 -0.0602137 0.1544263 2.8715771 0.1675805 -0.0526138 0.0688070 2.1933991 4 Hg 2.0885321 0.0658696 -0.0602137 0.1544263 2.8715771 0.1675805 -0.0526138 0.0688070 2.1933991 5 Se 2.4430345 0.9850340 0.6296791 0.9603923 2.8037288 -1.1962480 0.3716853 0.1642877 2.8712861 6 Se 2.4430345 -0.9850340 0.6296791 -0.9603923 2.8037288 1.1962480 0.3716853 -0.1642877 2.8712861 7 Se 2.4430345 -0.9850340 0.6296791 -0.9603923 2.8037288 1.1962480 0.3716853 -0.1642877 2.8712861 8 Se 2.4430345 0.9850340 0.6296791 0.9603923 2.8037288 -1.1962480 0.3716853 0.1642877 2.8712861 9 O -1.3246217 -0.1244679 0.5962523 -1.0046043 -1.9466576 1.2440453 0.8648703 0.3372961 -1.8594437 10 O -1.6498419 -1.1624690 -0.6786657 -0.4899510 -1.9662853 -0.2191450 -0.2540807 -0.3266247 -1.5399524 11 O -1.6498419 -1.1624690 -0.6786657 -0.4899510 -1.9662853 -0.2191450 -0.2540807 -0.3266247 -1.5399524 12 O -1.5571030 0.5979988 -0.4870520 0.4194487 -1.7623630 0.2617105 -0.9298610 0.2764669 -1.6652891 13 O -1.3246217 0.1244679 0.5962523 1.0046043 -1.9466576 -1.2440453 0.8648703 -0.3372961 -1.8594437 14 O -1.5571030 -0.5979988 -0.4870520 -0.4194487 -1.7623630 -0.2617105 -0.9298610 -0.2764669 -1.6652891 15 O -1.5571030 0.5979988 -0.4870520 0.4194487 -1.7623630 0.2617105 -0.9298610 0.2764669 -1.6652891 16 O -1.3246217 0.1244679 0.5962523 1.0046043 -1.9466576 -1.2440453 0.8648703 -0.3372961 -1.8594437 17 O -1.3246217 -0.1244679 0.5962523 -1.0046043 -1.9466576 1.2440453 0.8648703 0.3372961 -1.8594437 18 O -1.6498419 1.1624690 -0.6786657 0.4899510 -1.9662853 0.2191450 -0.2540807 0.3266247 -1.5399524 19 O -1.5571030 -0.5979988 -0.4870520 -0.4194487 -1.7623630 -0.2617105 -0.9298610 -0.2764669 -1.6652891 20 O -1.6498419 1.1624690 -0.6786657 0.4899510 -1.9662853 0.2191450 -0.2540807 0.3266247 -1.5399524 ---------------------------------------------------------------------------- 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 55, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 67, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) 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 13:19:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:19:17]------------------------- 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): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.338325970578205 0.000000000000000 0.000000000000000 b 0.000000000000000 10.246582580000000 0.000000000000000 c -1.675875434107714 0.000000000000000 7.138430612255690 Atomic positions (fractional): 1 Hg 0.60789032181471 0.17152763104808 0.90881193144992 200.590 2 Hg 0.39210967818529 0.82847236895192 0.09118806855008 200.590 3 Hg 0.39210967818529 0.67152763104808 0.59118806855008 200.590 4 Hg 0.60789032181471 0.32847236895192 0.40881193144992 200.590 5 Se 0.83447080540654 0.57706104723668 0.17638014104764 78.960 6 Se 0.83447080540654 0.92293895276332 0.67638014104764 78.960 7 Se 0.16552919459346 0.07706104723668 0.32361985895236 78.960 8 Se 0.16552919459346 0.42293895276332 0.82361985895236 78.960 9 O 0.33340287341475 0.47380968012537 0.63857113042032 15.999 10 O 0.00623499018658 0.28068996095447 0.72867268365005 15.999 11 O 0.99376500981342 0.71931003904553 0.27132731634995 15.999 12 O 0.50015024133033 0.63827726691561 0.02009883627611 15.999 13 O 0.66659712658525 0.97380968012537 0.86142886957968 15.999 14 O 0.50015024133033 0.86172273308439 0.52009883627611 15.999 15 O 0.49984975866967 0.36172273308439 0.97990116372389 15.999 16 O 0.33340287341475 0.02619031987463 0.13857113042032 15.999 17 O 0.66659712658525 0.52619031987463 0.36142886957968 15.999 18 O 0.99376500981342 0.78068996095447 0.77132731634995 15.999 19 O 0.49984975866967 0.13827726691561 0.47990116372389 15.999 20 O 0.00623499018658 0.21931003904553 0.22867268365005 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.014977911734615 0.000000000000000 0.000000000000000 b 0.000000000000000 10.246582580000000 0.000000000000000 c -3.351750868215428 0.000000000000000 14.276861224511380 Atomic positions (fractional): 1 Hg 0.20263010727157 0.17152763104808 0.45440596572496 200.590 > 1 2 Hg 0.53596344060490 0.17152763104808 0.45440596572496 200.590 > 1 3 Hg 0.86929677393824 0.17152763104808 0.45440596572496 200.590 > 1 4 Hg 0.20263010727157 0.17152763104808 0.95440596572496 200.590 > 1 5 Hg 0.53596344060490 0.17152763104808 0.95440596572496 200.590 > 1 6 Hg 0.86929677393824 0.17152763104808 0.95440596572496 200.590 > 1 7 Hg 0.13070322606176 0.82847236895192 0.04559403427504 200.590 > 7 8 Hg 0.46403655939510 0.82847236895192 0.04559403427504 200.590 > 7 9 Hg 0.79736989272843 0.82847236895192 0.04559403427504 200.590 > 7 10 Hg 0.13070322606176 0.82847236895192 0.54559403427504 200.590 > 7 11 Hg 0.46403655939510 0.82847236895192 0.54559403427504 200.590 > 7 12 Hg 0.79736989272843 0.82847236895192 0.54559403427504 200.590 > 7 13 Hg 0.13070322606176 0.67152763104808 0.29559403427504 200.590 > 13 14 Hg 0.46403655939510 0.67152763104808 0.29559403427504 200.590 > 13 15 Hg 0.79736989272843 0.67152763104808 0.29559403427504 200.590 > 13 16 Hg 0.13070322606176 0.67152763104808 0.79559403427504 200.590 > 13 17 Hg 0.46403655939510 0.67152763104808 0.79559403427504 200.590 > 13 18 Hg 0.79736989272843 0.67152763104808 0.79559403427504 200.590 > 13 19 Hg 0.20263010727157 0.32847236895192 0.20440596572496 200.590 > 19 20 Hg 0.53596344060490 0.32847236895192 0.20440596572496 200.590 > 19 21 Hg 0.86929677393824 0.32847236895192 0.20440596572496 200.590 > 19 22 Hg 0.20263010727157 0.32847236895192 0.70440596572496 200.590 > 19 23 Hg 0.53596344060490 0.32847236895192 0.70440596572496 200.590 > 19 24 Hg 0.86929677393824 0.32847236895192 0.70440596572496 200.590 > 19 25 Se 0.27815693513551 0.57706104723668 0.08819007052382 78.960 > 25 26 Se 0.61149026846885 0.57706104723668 0.08819007052382 78.960 > 25 27 Se 0.94482360180218 0.57706104723668 0.08819007052382 78.960 > 25 28 Se 0.27815693513551 0.57706104723668 0.58819007052382 78.960 > 25 29 Se 0.61149026846885 0.57706104723668 0.58819007052382 78.960 > 25 30 Se 0.94482360180218 0.57706104723668 0.58819007052382 78.960 > 25 31 Se 0.27815693513551 0.92293895276332 0.33819007052382 78.960 > 31 32 Se 0.61149026846885 0.92293895276332 0.33819007052382 78.960 > 31 33 Se 0.94482360180218 0.92293895276332 0.33819007052382 78.960 > 31 34 Se 0.27815693513551 0.92293895276332 0.83819007052382 78.960 > 31 35 Se 0.61149026846885 0.92293895276332 0.83819007052382 78.960 > 31 36 Se 0.94482360180218 0.92293895276332 0.83819007052382 78.960 > 31 37 Se 0.05517639819782 0.07706104723668 0.16180992947618 78.960 > 37 38 Se 0.38850973153115 0.07706104723668 0.16180992947618 78.960 > 37 39 Se 0.72184306486449 0.07706104723668 0.16180992947618 78.960 > 37 40 Se 0.05517639819782 0.07706104723668 0.66180992947618 78.960 > 37 41 Se 0.38850973153115 0.07706104723668 0.66180992947618 78.960 > 37 42 Se 0.72184306486449 0.07706104723668 0.66180992947618 78.960 > 37 43 Se 0.05517639819782 0.42293895276332 0.41180992947618 78.960 > 43 44 Se 0.38850973153115 0.42293895276332 0.41180992947618 78.960 > 43 45 Se 0.72184306486449 0.42293895276332 0.41180992947618 78.960 > 43 46 Se 0.05517639819782 0.42293895276332 0.91180992947618 78.960 > 43 47 Se 0.38850973153115 0.42293895276332 0.91180992947618 78.960 > 43 48 Se 0.72184306486449 0.42293895276332 0.91180992947618 78.960 > 43 49 O 0.11113429113825 0.47380968012537 0.31928556521016 15.999 > 49 50 O 0.44446762447158 0.47380968012537 0.31928556521016 15.999 > 49 51 O 0.77780095780492 0.47380968012537 0.31928556521016 15.999 > 49 52 O 0.11113429113825 0.47380968012537 0.81928556521016 15.999 > 49 53 O 0.44446762447158 0.47380968012537 0.81928556521016 15.999 > 49 54 O 0.77780095780492 0.47380968012537 0.81928556521016 15.999 > 49 55 O 0.00207833006219 0.28068996095447 0.36433634182503 15.999 > 55 56 O 0.33541166339553 0.28068996095447 0.36433634182503 15.999 > 55 57 O 0.66874499672886 0.28068996095447 0.36433634182503 15.999 > 55 58 O 0.00207833006219 0.28068996095447 0.86433634182503 15.999 > 55 59 O 0.33541166339553 0.28068996095447 0.86433634182503 15.999 > 55 60 O 0.66874499672886 0.28068996095447 0.86433634182503 15.999 > 55 61 O 0.33125500327114 0.71931003904553 0.13566365817497 15.999 > 61 62 O 0.66458833660447 0.71931003904553 0.13566365817497 15.999 > 61 63 O 0.99792166993781 0.71931003904553 0.13566365817497 15.999 > 61 64 O 0.33125500327114 0.71931003904553 0.63566365817497 15.999 > 61 65 O 0.66458833660447 0.71931003904553 0.63566365817497 15.999 > 61 66 O 0.99792166993781 0.71931003904553 0.63566365817497 15.999 > 61 67 O 0.16671674711011 0.63827726691561 0.01004941813806 15.999 > 67 68 O 0.50005008044344 0.63827726691561 0.01004941813806 15.999 > 67 69 O 0.83338341377678 0.63827726691561 0.01004941813806 15.999 > 67 70 O 0.16671674711011 0.63827726691561 0.51004941813806 15.999 > 67 71 O 0.50005008044344 0.63827726691561 0.51004941813806 15.999 > 67 72 O 0.83338341377678 0.63827726691561 0.51004941813806 15.999 > 67 73 O 0.22219904219508 0.97380968012537 0.43071443478984 15.999 > 73 74 O 0.55553237552842 0.97380968012537 0.43071443478984 15.999 > 73 75 O 0.88886570886175 0.97380968012537 0.43071443478984 15.999 > 73 76 O 0.22219904219508 0.97380968012537 0.93071443478984 15.999 > 73 77 O 0.55553237552842 0.97380968012537 0.93071443478984 15.999 > 73 78 O 0.88886570886175 0.97380968012537 0.93071443478984 15.999 > 73 79 O 0.16671674711011 0.86172273308439 0.26004941813805 15.999 > 79 80 O 0.50005008044344 0.86172273308439 0.26004941813805 15.999 > 79 81 O 0.83338341377678 0.86172273308439 0.26004941813805 15.999 > 79 82 O 0.16671674711011 0.86172273308439 0.76004941813806 15.999 > 79 83 O 0.50005008044344 0.86172273308439 0.76004941813806 15.999 > 79 84 O 0.83338341377678 0.86172273308439 0.76004941813806 15.999 > 79 85 O 0.16661658622322 0.36172273308439 0.48995058186195 15.999 > 85 86 O 0.49994991955656 0.36172273308439 0.48995058186195 15.999 > 85 87 O 0.83328325288989 0.36172273308439 0.48995058186195 15.999 > 85 88 O 0.16661658622322 0.36172273308439 0.98995058186194 15.999 > 85 89 O 0.49994991955656 0.36172273308439 0.98995058186194 15.999 > 85 90 O 0.83328325288989 0.36172273308439 0.98995058186194 15.999 > 85 91 O 0.11113429113825 0.02619031987463 0.06928556521016 15.999 > 91 92 O 0.44446762447158 0.02619031987463 0.06928556521016 15.999 > 91 93 O 0.77780095780492 0.02619031987463 0.06928556521016 15.999 > 91 94 O 0.11113429113825 0.02619031987463 0.56928556521016 15.999 > 91 95 O 0.44446762447158 0.02619031987463 0.56928556521016 15.999 > 91 96 O 0.77780095780492 0.02619031987463 0.56928556521016 15.999 > 91 97 O 0.22219904219508 0.52619031987463 0.18071443478984 15.999 > 97 98 O 0.55553237552842 0.52619031987463 0.18071443478984 15.999 > 97 99 O 0.88886570886175 0.52619031987463 0.18071443478984 15.999 > 97 100 O 0.22219904219508 0.52619031987463 0.68071443478984 15.999 > 97 101 O 0.55553237552842 0.52619031987463 0.68071443478984 15.999 > 97 102 O 0.88886570886175 0.52619031987463 0.68071443478984 15.999 > 97 103 O 0.33125500327114 0.78068996095447 0.38566365817497 15.999 > 103 104 O 0.66458833660447 0.78068996095447 0.38566365817497 15.999 > 103 105 O 0.99792166993781 0.78068996095447 0.38566365817497 15.999 > 103 106 O 0.33125500327114 0.78068996095447 0.88566365817497 15.999 > 103 107 O 0.66458833660447 0.78068996095447 0.88566365817497 15.999 > 103 108 O 0.99792166993781 0.78068996095447 0.88566365817497 15.999 > 103 109 O 0.16661658622322 0.13827726691561 0.23995058186195 15.999 > 109 110 O 0.49994991955656 0.13827726691561 0.23995058186195 15.999 > 109 111 O 0.83328325288989 0.13827726691561 0.23995058186195 15.999 > 109 112 O 0.16661658622322 0.13827726691561 0.73995058186194 15.999 > 109 113 O 0.49994991955656 0.13827726691561 0.73995058186194 15.999 > 109 114 O 0.83328325288989 0.13827726691561 0.73995058186194 15.999 > 109 115 O 0.00207833006219 0.21931003904553 0.11433634182503 15.999 > 115 116 O 0.33541166339553 0.21931003904553 0.11433634182503 15.999 > 115 117 O 0.66874499672886 0.21931003904553 0.11433634182503 15.999 > 115 118 O 0.00207833006219 0.21931003904553 0.61433634182503 15.999 > 115 119 O 0.33541166339553 0.21931003904553 0.61433634182503 15.999 > 115 120 O 0.66874499672886 0.21931003904553 0.61433634182503 15.999 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1072239 0.0000000 0.0726811 0.0000000 5.0118559 0.0000000 0.0726812 0.0000000 4.1445337 -------------------------- Born effective charges -------------------------- 1 Hg 2.0885321 -0.0658696 -0.0602137 -0.1544263 2.8715771 -0.1675805 -0.0526138 -0.0688070 2.1933991 2 Hg 2.0885321 -0.0658696 -0.0602137 -0.1544263 2.8715771 -0.1675805 -0.0526138 -0.0688070 2.1933991 3 Hg 2.0885321 0.0658696 -0.0602137 0.1544263 2.8715771 0.1675805 -0.0526138 0.0688070 2.1933991 4 Hg 2.0885321 0.0658696 -0.0602137 0.1544263 2.8715771 0.1675805 -0.0526138 0.0688070 2.1933991 5 Se 2.4430345 0.9850340 0.6296791 0.9603923 2.8037288 -1.1962480 0.3716853 0.1642877 2.8712861 6 Se 2.4430345 -0.9850340 0.6296791 -0.9603923 2.8037288 1.1962480 0.3716853 -0.1642877 2.8712861 7 Se 2.4430345 -0.9850340 0.6296791 -0.9603923 2.8037288 1.1962480 0.3716853 -0.1642877 2.8712861 8 Se 2.4430345 0.9850340 0.6296791 0.9603923 2.8037288 -1.1962480 0.3716853 0.1642877 2.8712861 9 O -1.3246217 -0.1244679 0.5962523 -1.0046043 -1.9466576 1.2440453 0.8648703 0.3372961 -1.8594437 10 O -1.6498419 -1.1624690 -0.6786657 -0.4899510 -1.9662853 -0.2191450 -0.2540807 -0.3266247 -1.5399524 11 O -1.6498419 -1.1624690 -0.6786657 -0.4899510 -1.9662853 -0.2191450 -0.2540807 -0.3266247 -1.5399524 12 O -1.5571030 0.5979988 -0.4870520 0.4194487 -1.7623630 0.2617105 -0.9298610 0.2764669 -1.6652891 13 O -1.3246217 0.1244679 0.5962523 1.0046043 -1.9466576 -1.2440453 0.8648703 -0.3372961 -1.8594437 14 O -1.5571030 -0.5979988 -0.4870520 -0.4194487 -1.7623630 -0.2617105 -0.9298610 -0.2764669 -1.6652891 15 O -1.5571030 0.5979988 -0.4870520 0.4194487 -1.7623630 0.2617105 -0.9298610 0.2764669 -1.6652891 16 O -1.3246217 0.1244679 0.5962523 1.0046043 -1.9466576 -1.2440453 0.8648703 -0.3372961 -1.8594437 17 O -1.3246217 -0.1244679 0.5962523 -1.0046043 -1.9466576 1.2440453 0.8648703 0.3372961 -1.8594437 18 O -1.6498419 1.1624690 -0.6786657 0.4899510 -1.9662853 0.2191450 -0.2540807 0.3266247 -1.5399524 19 O -1.5571030 -0.5979988 -0.4870520 -0.4194487 -1.7623630 -0.2617105 -0.9298610 -0.2764669 -1.6652891 20 O -1.6498419 1.1624690 -0.6786657 0.4899510 -1.9662853 0.2191450 -0.2540807 0.3266247 -1.5399524 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) --------------------------- 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 ... [ 12 5 7 ] 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: 0.61, Number of G-points: 309, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 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 0.990 ( 0.000 0.000 0.000) 0.000 1.201 ( 0.000 0.000 0.000) 0.000 1.257 ( 0.000 0.000 0.000) 0.000 1.297 ( 0.000 0.000 0.000) 0.000 1.541 ( 0.000 0.000 0.000) 0.000 1.591 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.693 ( 0.000 0.000 0.000) 0.000 2.327 ( 0.000 0.000 0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 7.108 ( 0.000 0.000 0.000) 0.000 7.140 ( 0.000 0.000 0.000) 0.000 7.425 ( 0.000 0.000 0.000) 0.000 7.668 ( 0.000 0.000 0.000) 0.000 8.219 ( 0.000 0.000 0.000) 0.000 8.531 ( 0.000 0.000 0.000) 0.000 8.578 ( 0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.652 ( 0.000 0.000 0.000) 0.000 8.658 ( 0.000 0.000 0.000) 0.000 8.989 ( 0.000 0.000 0.000) 0.000 9.014 ( 0.000 0.000 0.000) 0.000 13.303 ( 0.000 0.000 0.000) 0.000 13.860 ( 0.000 0.000 0.000) 0.000 14.444 ( 0.000 0.000 0.000) 0.000 14.493 ( 0.000 0.000 0.000) 0.000 14.496 ( 0.000 0.000 0.000) 0.000 15.214 ( 0.000 0.000 0.000) 0.000 15.458 ( 0.000 0.000 0.000) 0.000 16.034 ( 0.000 0.000 0.000) 0.000 18.921 ( 0.000 0.000 0.000) 0.000 18.927 ( 0.000 0.000 0.000) 0.000 19.304 ( 0.000 0.000 0.000) 0.000 19.986 ( 0.000 0.000 0.000) 0.000 20.141 ( 0.000 0.000 0.000) 0.000 20.255 ( 0.000 0.000 0.000) 0.000 20.909 ( 0.000 0.000 0.000) 0.000 21.086 ( 0.000 0.000 0.000) 0.000 23.412 ( 0.000 0.000 0.000) 0.000 23.862 ( 0.000 0.000 0.000) 0.000 23.896 ( 0.000 0.000 0.000) 0.000 24.049 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( 17.909 0.000 -12.007) 21.562 0.350 ( 16.161 0.000 5.095) 16.945 0.398 ( 15.201 0.000 20.521) 25.538 1.007 ( 1.447 0.000 1.535) 2.110 1.191 ( -0.931 0.000 0.104) 0.936 1.264 ( 0.918 0.000 -1.625) 1.866 1.289 ( -0.428 0.000 -0.986) 1.075 1.536 ( -0.584 0.000 -6.167) 6.194 1.576 ( -0.780 0.000 3.998) 4.073 1.680 ( -0.616 0.000 -1.069) 1.233 1.820 ( 7.170 0.000 -17.451) 18.866 2.265 ( -4.866 0.000 -2.388) 5.420 2.367 ( -0.699 0.000 8.575) 8.604 2.469 ( -1.877 0.000 -2.764) 3.341 2.599 ( 0.768 0.000 -0.618) 0.986 2.813 ( 1.485 0.000 0.141) 1.492 2.835 ( -4.530 0.000 6.828) 8.194 3.057 ( 4.963 0.000 4.777) 6.888 3.439 ( -6.419 0.000 0.514) 6.439 3.553 ( -3.575 0.000 0.111) 3.577 3.694 ( 2.374 0.000 -6.646) 7.057 3.724 ( -1.445 0.000 -4.772) 4.986 4.078 ( -2.331 0.000 -2.339) 3.302 4.171 ( -8.032 0.000 30.001) 31.057 4.258 ( -1.934 0.000 -1.188) 2.270 4.447 ( -0.340 0.000 -1.648) 1.683 4.473 ( -3.626 0.000 -1.324) 3.860 4.505 ( 0.353 0.000 0.619) 0.712 7.009 ( -8.385 0.000 1.905) 8.598 7.152 ( 1.467 0.000 -1.308) 1.966 7.559 ( 10.902 0.000 3.138) 11.345 7.748 ( -0.135 0.000 -11.543) 11.544 8.190 ( -2.177 0.000 -1.182) 2.477 8.542 ( -5.041 0.000 -0.813) 5.106 8.596 ( 0.674 0.000 2.092) 2.198 8.632 ( -1.134 0.000 -2.023) 2.319 8.717 ( 5.824 0.000 0.857) 5.887 8.868 ( -2.804 0.000 15.932) 16.177 9.004 ( 1.441 0.000 0.613) 1.566 9.049 ( 2.092 0.000 3.416) 4.006 13.301 ( -0.304 0.000 0.867) 0.919 13.826 ( -3.028 0.000 -1.158) 3.242 14.450 ( 0.021 0.000 -0.037) 0.042 14.510 ( 1.065 0.000 2.269) 2.507 14.625 ( 6.514 0.000 -25.806) 26.615 15.219 ( 0.025 0.000 2.115) 2.115 15.446 ( -0.278 0.000 -3.846) 3.856 16.029 ( -0.641 0.000 0.753) 0.989 18.934 ( 0.729 0.000 -0.016) 0.729 19.270 ( -3.884 0.000 0.662) 3.940 19.688 ( -21.489 0.000 59.170) 62.951 19.942 ( -2.982 0.000 -5.433) 6.197 20.230 ( -1.330 0.000 -5.010) 5.184 20.286 ( 7.661 0.000 17.907) 19.477 21.088 ( -1.091 0.000 4.750) 4.874 21.796 ( 5.116 0.000 -26.693) 27.179 23.426 ( 1.391 0.000 0.305) 1.424 23.857 ( -0.546 0.000 -0.264) 0.606 24.033 ( -1.537 0.000 -0.179) 1.547 24.192 ( -3.382 0.000 9.930) 10.490 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 15.390 0.000 -11.789) 19.386 0.652 ( 12.669 0.000 4.130) 13.325 0.753 ( 12.129 0.000 18.248) 21.912 1.067 ( 3.983 0.000 2.948) 4.956 1.170 ( -1.113 0.000 0.110) 1.118 1.260 ( -0.912 0.000 -3.749) 3.859 1.279 ( -0.011 0.000 -0.561) 0.561 1.474 ( -2.628 0.000 -0.389) 2.657 1.610 ( 2.827 0.000 -0.748) 2.925 1.676 ( 0.722 0.000 -0.165) 0.740 1.896 ( 7.153 0.000 -10.125) 12.397 2.140 ( -6.997 0.000 -0.661) 7.028 2.393 ( -1.312 0.000 11.400) 11.476 2.418 ( -1.388 0.000 -3.683) 3.936 2.609 ( 1.009 0.000 -2.083) 2.315 2.760 ( -4.318 0.000 7.872) 8.978 2.902 ( 4.963 0.000 0.920) 5.047 3.171 ( 4.947 0.000 3.721) 6.190 3.257 ( -11.981 0.000 -1.389) 12.061 3.456 ( -6.530 0.000 -0.099) 6.530 3.658 ( -2.524 0.000 -6.212) 6.706 3.705 ( 0.697 0.000 -3.400) 3.470 3.990 ( -5.129 0.000 -4.768) 7.003 4.131 ( -6.896 0.000 14.606) 16.152 4.206 ( -2.704 0.000 -1.169) 2.946 4.358 ( -6.230 0.000 -1.401) 6.385 4.443 ( -0.263 0.000 -1.951) 1.968 4.513 ( 0.074 0.000 0.686) 0.690 6.850 ( -9.114 0.000 3.823) 9.883 7.172 ( 0.985 0.000 -2.693) 2.867 7.675 ( -3.509 0.000 -3.161) 4.723 7.818 ( 13.114 0.000 4.763) 13.953 8.151 ( -0.433 0.000 -1.776) 1.828 8.413 ( -6.835 0.000 -3.402) 7.635 8.604 ( -0.705 0.000 -2.281) 2.388 8.606 ( -0.941 0.000 2.817) 2.970 8.869 ( 8.616 0.000 1.700) 8.782 8.892 ( -0.166 0.000 6.408) 6.410 9.048 ( 2.451 0.000 1.616) 2.936 9.103 ( 1.984 0.000 1.875) 2.730 13.301 ( -0.220 0.000 1.541) 1.556 13.742 ( -4.775 0.000 -1.721) 5.076 14.448 ( -0.375 0.000 0.433) 0.573 14.546 ( 1.098 0.000 3.424) 3.595 14.636 ( 3.420 0.000 -12.059) 12.534 15.232 ( -0.491 0.000 5.087) 5.111 15.416 ( 0.064 0.000 -7.924) 7.924 16.017 ( -1.158 0.000 1.322) 1.758 18.955 ( 1.522 0.000 -0.132) 1.528 19.162 ( -7.893 0.000 3.422) 8.603 19.568 ( -9.650 0.000 21.363) 23.442 19.837 ( -4.673 0.000 -6.978) 8.398 20.163 ( -1.907 0.000 -10.326) 10.501 20.534 ( 9.520 0.000 16.068) 18.677 21.081 ( -2.524 0.000 7.381) 7.801 21.767 ( 1.574 0.000 -14.487) 14.572 23.467 ( 2.519 0.000 0.652) 2.602 23.838 ( -1.213 0.000 -0.663) 1.382 23.993 ( -2.451 0.000 -0.181) 2.457 24.163 ( -3.079 0.000 4.689) 5.610 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 11.087 0.000 -10.119) 15.011 0.861 ( 6.936 0.000 3.863) 7.940 0.996 ( 5.234 0.000 11.414) 12.557 1.158 ( -0.389 0.000 -0.318) 0.503 1.183 ( -4.103 0.000 -3.272) 5.248 1.194 ( 7.819 0.000 3.517) 8.574 1.299 ( 2.103 0.000 2.667) 3.396 1.458 ( 0.142 0.000 1.601) 1.607 1.663 ( 3.091 0.000 -2.145) 3.763 1.710 ( 2.425 0.000 1.451) 2.826 1.992 ( 6.211 0.000 -6.724) 9.153 2.008 ( -6.320 0.000 0.797) 6.370 2.407 ( 2.090 0.000 -1.971) 2.873 2.416 ( -1.843 0.000 11.622) 11.768 2.619 ( 1.297 0.000 -4.974) 5.141 2.740 ( -1.352 0.000 8.170) 8.281 2.989 ( -14.170 0.000 -1.952) 14.304 3.008 ( 5.084 0.000 1.985) 5.457 3.284 ( 5.394 0.000 2.602) 5.989 3.302 ( -8.932 0.000 -1.237) 9.017 3.580 ( -3.056 0.000 -4.342) 5.309 3.669 ( -2.898 0.000 -5.664) 6.362 3.840 ( -7.503 0.000 -7.240) 10.427 4.036 ( -7.433 0.000 6.745) 10.037 4.153 ( -2.265 0.000 -0.376) 2.296 4.239 ( -5.831 0.000 1.540) 6.031 4.422 ( -1.113 0.000 -1.690) 2.023 4.511 ( -0.550 0.000 0.486) 0.734 6.703 ( -7.976 0.000 4.423) 9.120 7.138 ( -3.637 0.000 -3.591) 5.111 7.613 ( -1.460 0.000 -0.481) 1.537 8.024 ( 4.255 0.000 2.634) 5.004 8.225 ( 10.024 0.000 0.283) 10.028 8.268 ( -6.091 0.000 -3.917) 7.242 8.581 ( -0.889 0.000 -1.878) 2.078 8.588 ( -1.805 0.000 2.963) 3.469 8.915 ( 0.208 0.000 3.687) 3.693 9.033 ( 6.521 0.000 2.201) 6.882 9.114 ( 3.927 0.000 2.453) 4.630 9.138 ( 1.211 0.000 0.238) 1.234 13.309 ( 0.232 0.000 1.862) 1.877 13.637 ( -5.097 0.000 -1.754) 5.391 14.437 ( -0.991 0.000 0.345) 1.049 14.577 ( 0.480 0.000 3.369) 3.403 14.647 ( 2.184 0.000 -7.052) 7.383 15.240 ( -2.001 0.000 8.109) 8.353 15.385 ( 1.422 0.000 -11.162) 11.252 15.998 ( -1.366 0.000 1.558) 2.072 18.991 ( 2.221 0.000 -0.415) 2.259 19.021 ( -8.058 0.000 4.662) 9.310 19.500 ( -4.901 0.000 9.083) 10.321 19.713 ( -5.078 0.000 -5.288) 7.331 20.074 ( -1.435 0.000 -13.667) 13.742 20.785 ( 9.338 0.000 14.140) 16.945 21.055 ( -3.682 0.000 7.575) 8.423 21.730 ( 0.442 0.000 -10.344) 10.354 23.526 ( 3.254 0.000 0.978) 3.398 23.805 ( -1.773 0.000 -1.060) 2.066 23.942 ( -2.712 0.000 -0.077) 2.713 24.118 ( -3.225 0.000 2.724) 4.221 ======================= Grid point 4 (5/129) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 6.862 0.000 -7.897) 10.462 0.941 ( -0.376 0.000 1.636) 1.679 1.071 ( 0.138 0.000 5.002) 5.004 1.076 ( -4.265 0.000 2.680) 5.037 1.193 ( 2.591 0.000 -1.539) 3.014 1.330 ( 3.717 0.000 1.786) 4.124 1.417 ( 7.609 0.000 5.565) 9.427 1.462 ( -0.467 0.000 -0.441) 0.643 1.698 ( 1.316 0.000 -2.141) 2.513 1.778 ( 3.632 0.000 2.934) 4.669 1.925 ( -2.501 0.000 2.711) 3.688 2.061 ( 3.440 0.000 -3.987) 5.266 2.423 ( -2.149 0.000 6.842) 7.172 2.478 ( 4.983 0.000 0.587) 5.017 2.554 ( -6.733 0.000 -9.831) 11.916 2.786 ( 2.445 0.000 7.043) 7.455 2.788 ( -3.851 0.000 3.309) 5.078 3.105 ( 3.383 0.000 3.540) 4.897 3.123 ( -8.651 0.000 -0.119) 8.652 3.402 ( 5.802 0.000 1.379) 5.964 3.500 ( -3.837 0.000 -2.265) 4.456 3.536 ( -6.594 0.000 -9.309) 11.408 3.652 ( -7.672 0.000 -8.689) 11.592 3.936 ( -5.004 0.000 3.493) 6.102 4.120 ( -1.149 0.000 0.244) 1.175 4.148 ( -4.693 0.000 2.465) 5.301 4.382 ( -2.461 0.000 -1.200) 2.738 4.497 ( -1.051 0.000 0.230) 1.075 6.587 ( -5.881 0.000 3.559) 6.874 7.006 ( -7.620 0.000 -3.182) 8.257 7.614 ( 1.301 0.000 -0.573) 1.421 8.078 ( 2.404 0.000 0.951) 2.586 8.158 ( -3.551 0.000 -2.332) 4.248 8.386 ( 2.173 0.000 -0.746) 2.298 8.547 ( -1.828 0.000 -1.531) 2.385 8.629 ( 6.809 0.000 4.793) 8.327 8.934 ( 0.448 0.000 2.093) 2.140 9.113 ( 1.356 0.000 2.500) 2.844 9.153 ( 0.467 0.000 -0.505) 0.688 9.225 ( 5.454 0.000 1.788) 5.740 13.326 ( 0.630 0.000 1.707) 1.820 13.539 ( -4.179 0.000 -1.393) 4.405 14.413 ( -1.415 0.000 -0.006) 1.415 14.594 ( -0.067 0.000 2.507) 2.508 14.656 ( 1.416 0.000 -4.047) 4.287 15.224 ( -2.952 0.000 6.684) 7.307 15.375 ( 2.278 0.000 -9.179) 9.457 15.980 ( -1.176 0.000 1.372) 1.808 18.907 ( -5.675 0.000 3.949) 6.914 19.034 ( 2.435 0.000 -0.755) 2.549 19.455 ( -2.930 0.000 3.824) 4.818 19.602 ( -4.481 0.000 -2.646) 5.204 19.994 ( -0.463 0.000 -12.895) 12.903 21.011 ( 7.823 0.000 11.650) 14.033 21.013 ( -3.747 0.000 5.992) 7.066 21.692 ( -0.063 0.000 -7.777) 7.777 23.597 ( 3.540 0.000 1.132) 3.716 23.764 ( -1.857 0.000 -1.171) 2.195 23.890 ( -2.704 0.000 -0.079) 2.705 24.068 ( -2.888 0.000 1.536) 3.271 ======================= Grid point 5 (6/129) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -5.009 0.000 -2.016) 5.400 0.966 ( 2.599 0.000 -4.536) 5.228 1.065 ( -0.088 0.000 5.847) 5.848 1.087 ( 0.237 0.000 2.279) 2.291 1.222 ( 0.545 0.000 -0.939) 1.085 1.384 ( 1.327 0.000 1.651) 2.118 1.445 ( -0.234 0.000 -1.695) 1.711 1.555 ( 4.222 0.000 1.863) 4.614 1.694 ( -0.643 0.000 -1.570) 1.697 1.874 ( 4.577 0.000 3.227) 5.601 1.948 ( 2.983 0.000 4.493) 5.393 2.087 ( 0.747 0.000 -2.351) 2.467 2.303 ( -9.203 0.000 -8.342) 12.421 2.434 ( -2.247 0.000 2.321) 3.231 2.582 ( 4.623 0.000 2.807) 5.408 2.812 ( 2.522 0.000 2.432) 3.504 2.867 ( 2.108 0.000 3.788) 4.335 2.995 ( -4.825 0.000 2.303) 5.346 3.159 ( 0.443 0.000 3.377) 3.406 3.368 ( -3.999 0.000 -9.506) 10.313 3.405 ( -4.769 0.000 -2.842) 5.551 3.502 ( -3.875 0.000 -5.332) 6.591 3.523 ( 4.530 0.000 2.094) 4.990 3.874 ( -2.590 0.000 1.017) 2.783 4.084 ( -2.789 0.000 1.559) 3.195 4.109 ( -0.263 0.000 0.309) 0.405 4.323 ( -2.809 0.000 -0.767) 2.911 4.477 ( -0.879 0.000 0.059) 0.881 6.512 ( -3.141 0.000 1.877) 3.660 6.856 ( -5.856 0.000 -1.966) 6.177 7.636 ( 0.962 0.000 -0.749) 1.220 8.113 ( -0.711 0.000 -0.558) 0.904 8.144 ( 3.958 0.000 1.138) 4.119 8.337 ( -4.488 0.000 -1.235) 4.655 8.502 ( -1.935 0.000 -1.024) 2.189 8.823 ( 8.720 0.000 3.139) 9.268 8.950 ( 0.436 0.000 0.945) 1.041 9.125 ( -0.928 0.000 1.854) 2.073 9.155 ( 0.054 0.000 -0.462) 0.465 9.311 ( 2.755 0.000 0.559) 2.811 13.344 ( 0.550 0.000 1.034) 1.171 13.471 ( -2.322 0.000 -0.753) 2.441 14.388 ( -1.069 0.000 -0.155) 1.080 14.599 ( -0.202 0.000 1.288) 1.304 14.664 ( 0.736 0.000 -1.840) 1.981 15.197 ( -1.921 0.000 2.949) 3.519 15.382 ( 1.427 0.000 -4.343) 4.571 15.967 ( -0.671 0.000 0.798) 1.042 18.840 ( -2.781 0.000 2.222) 3.559 19.072 ( 1.723 0.000 -0.722) 1.868 19.423 ( -1.500 0.000 1.347) 2.016 19.523 ( -2.785 0.000 -0.786) 2.894 19.944 ( 0.105 0.000 -7.743) 7.743 20.973 ( -2.390 0.000 3.287) 4.064 21.178 ( 4.764 0.000 7.337) 8.748 21.659 ( -0.332 0.000 -4.914) 4.925 23.668 ( 3.127 0.000 0.952) 3.269 23.728 ( -1.224 0.000 -0.792) 1.458 23.838 ( -2.502 0.000 -0.239) 2.513 24.027 ( -1.744 0.000 0.686) 1.874 ======================= Grid point 6 (7/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 0.000 0.000) 0.000 0.978 ( 0.000 0.000 0.000) 0.000 1.083 ( 0.000 0.000 0.000) 0.000 1.097 ( 0.000 0.000 -0.000) 0.000 1.218 ( 0.000 0.000 0.000) 0.000 1.400 ( 0.000 0.000 0.000) 0.000 1.442 ( 0.000 0.000 0.000) 0.000 1.597 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 -0.000) 0.000 2.033 ( -0.000 0.000 -0.000) 0.000 2.080 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 -0.000) 0.000 2.646 ( -0.000 0.000 0.000) 0.000 2.853 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 3.165 ( -0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 -0.000) 0.000 3.455 ( 0.000 0.000 -0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.289 ( 0.000 0.000 0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 6.485 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 0.000 0.000) 0.000 8.109 ( -0.000 0.000 0.000) 0.000 8.234 ( -0.000 0.000 -0.000) 0.000 8.240 ( 0.000 0.000 0.000) 0.000 8.478 ( 0.000 0.000 0.000) 0.000 8.928 ( 0.000 0.000 0.000) 0.000 8.957 ( 0.000 0.000 0.000) 0.000 9.111 ( 0.000 0.000 -0.000) 0.000 9.154 ( 0.000 0.000 0.000) 0.000 9.338 ( 0.000 0.000 0.000) 0.000 13.353 ( 0.000 0.000 0.000) 0.000 13.446 ( 0.000 0.000 0.000) 0.000 14.376 ( 0.000 0.000 0.000) 0.000 14.600 ( 0.000 0.000 0.000) 0.000 14.667 ( 0.000 0.000 0.000) 0.000 15.184 ( 0.000 0.000 0.000) 0.000 15.387 ( 0.000 0.000 0.000) 0.000 15.962 ( 0.000 0.000 0.000) 0.000 18.819 ( -0.000 0.000 0.000) 0.000 19.088 ( 0.000 0.000 0.000) 0.000 19.412 ( 0.000 0.000 0.000) 0.000 19.493 ( 0.000 0.000 -0.000) 0.000 19.928 ( 0.000 0.000 0.000) 0.000 20.956 ( 0.000 0.000 0.000) 0.000 21.244 ( 0.000 0.000 0.000) 0.000 21.642 ( 0.000 0.000 0.000) 0.000 23.708 ( 0.000 0.000 0.000) 0.000 23.714 ( 0.000 0.000 0.000) 0.000 23.806 ( 0.000 0.000 0.000) 0.000 24.011 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 13 (8/129) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( 0.000 14.361 0.000) 14.361 0.313 ( 0.000 15.828 0.000) 15.828 0.669 ( 0.000 31.540 0.000) 31.540 0.933 ( 0.000 -5.586 0.000) 5.586 1.181 ( 0.000 -6.347 0.000) 6.347 1.241 ( 0.000 -0.934 0.000) 0.934 1.261 ( 0.000 0.310 0.000) 0.310 1.446 ( 0.000 -9.260 0.000) 9.260 1.471 ( 0.000 -7.761 0.000) 7.761 1.764 ( 0.000 4.452 0.000) 4.452 1.772 ( 0.000 4.642 0.000) 4.642 2.204 ( 0.000 -11.553 0.000) 11.553 2.360 ( 0.000 2.478 0.000) 2.478 2.530 ( 0.000 -1.512 0.000) 1.512 2.625 ( 0.000 6.873 0.000) 6.873 2.651 ( 0.000 5.816 0.000) 5.816 2.825 ( 0.000 3.368 0.000) 3.368 2.976 ( 0.000 5.329 0.000) 5.329 3.210 ( 0.000 -8.187 0.000) 8.187 3.482 ( 0.000 -9.888 0.000) 9.888 3.553 ( 0.000 -0.446 0.000) 0.446 3.642 ( 0.000 -1.408 0.000) 1.408 3.925 ( 0.000 9.217 0.000) 9.217 4.144 ( 0.000 3.539 0.000) 3.539 4.266 ( 0.000 -2.380 0.000) 2.380 4.436 ( 0.000 -2.667 0.000) 2.667 4.479 ( 0.000 -2.361 0.000) 2.361 4.482 ( 0.000 -1.396 0.000) 1.396 7.053 ( 0.000 -2.638 0.000) 2.638 7.353 ( 0.000 -6.361 0.000) 6.361 7.487 ( 0.000 13.976 0.000) 13.976 7.735 ( 0.000 5.424 0.000) 5.424 8.194 ( 0.000 -1.357 0.000) 1.357 8.489 ( 0.000 -6.391 0.000) 6.391 8.560 ( 0.000 2.088 0.000) 2.088 8.644 ( 0.000 2.437 0.000) 2.437 8.696 ( 0.000 4.263 0.000) 4.263 8.737 ( 0.000 -3.740 0.000) 3.740 8.946 ( 0.000 -4.089 0.000) 4.089 8.997 ( 0.000 -1.859 0.000) 1.859 13.341 ( 0.000 4.072 0.000) 4.072 14.009 ( 0.000 5.841 0.000) 5.841 14.055 ( 0.000 -20.091 0.000) 20.091 14.433 ( 0.000 -4.234 0.000) 4.234 14.913 ( 0.000 20.795 0.000) 20.795 15.389 ( 0.000 -1.055 0.000) 1.055 15.473 ( 0.000 1.898 0.000) 1.898 15.970 ( 0.000 -6.476 0.000) 6.476 18.955 ( 0.000 3.366 0.000) 3.366 19.264 ( 0.000 -3.942 0.000) 3.942 19.974 ( 0.000 -1.044 0.000) 1.044 20.022 ( 0.000 -5.074 0.000) 5.074 20.364 ( 0.000 11.615 0.000) 11.615 20.901 ( 0.000 0.878 0.000) 0.878 20.908 ( 0.000 -0.362 0.000) 0.362 21.027 ( 0.000 -5.731 0.000) 5.731 23.873 ( 0.000 1.016 0.000) 1.016 23.898 ( 0.000 0.147 0.000) 0.147 23.974 ( 0.000 0.083 0.000) 0.083 24.038 ( 0.000 -1.124 0.000) 1.124 ======================= Grid point 14 (9/129) ======================= q-point: ( 0.08 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 7.898 10.209 2.031) 13.066 0.470 ( 12.042 9.139 5.996) 16.263 0.776 ( 8.659 25.474 2.885) 27.060 0.950 ( 1.566 -5.110 1.849) 5.655 1.164 ( 0.135 -4.488 -2.412) 5.097 1.236 ( -0.481 -1.027 -0.209) 1.153 1.269 ( 0.887 0.212 -0.707) 1.154 1.427 ( -2.069 -9.235 1.596) 9.598 1.485 ( 1.774 -6.658 -3.273) 7.628 1.732 ( 0.447 4.461 1.744) 4.811 1.848 ( 5.333 2.014 -11.709) 13.023 2.176 ( -3.171 -9.375 0.802) 9.929 2.355 ( -1.550 0.996 5.277) 5.589 2.573 ( -3.322 6.447 -2.878) 7.803 2.650 ( 0.266 4.752 -1.486) 4.986 2.718 ( -0.224 -9.682 9.683) 13.695 2.870 ( 3.283 3.695 2.061) 5.355 3.035 ( 5.556 1.313 2.212) 6.122 3.341 ( 1.379 -10.622 1.500) 10.816 3.438 ( -2.059 -8.907 1.292) 9.233 3.579 ( 1.982 -3.139 -3.055) 4.808 3.776 ( 8.112 -8.217 8.870) 14.560 3.921 ( -0.194 4.637 5.847) 7.465 4.113 ( -2.465 3.033 -3.141) 5.014 4.233 ( -2.616 -2.608 -1.166) 3.873 4.414 ( -2.917 -4.398 -1.731) 5.554 4.452 ( -1.622 -0.019 0.159) 1.630 4.497 ( 0.934 -1.092 1.200) 1.872 7.028 ( -3.327 0.095 -0.718) 3.405 7.247 ( -5.493 5.137 -2.239) 7.847 7.507 ( 4.218 0.559 3.167) 5.304 7.810 ( 2.909 3.795 -2.660) 5.472 8.173 ( -1.380 -0.463 -0.805) 1.664 8.465 ( -2.474 -5.675 -0.526) 6.213 8.627 ( -0.238 1.209 -0.072) 1.234 8.647 ( 2.788 -0.191 2.572) 3.798 8.707 ( 2.168 4.419 0.826) 4.991 8.791 ( 3.079 -4.888 5.051) 7.674 8.964 ( 1.847 -4.313 0.760) 4.753 9.024 ( 2.495 -2.098 0.271) 3.271 13.336 ( -0.607 4.120 1.262) 4.351 13.951 ( -4.275 8.471 -1.147) 9.558 14.067 ( 0.525 -19.764 1.870) 19.859 14.483 ( 4.671 -7.594 -6.415) 10.984 14.917 ( 0.279 20.241 0.326) 20.245 15.323 ( -3.150 3.438 -3.366) 5.751 15.463 ( -0.131 2.111 -3.587) 4.165 15.966 ( -0.575 -6.409 0.743) 6.478 18.934 ( -1.187 2.136 0.426) 2.480 19.228 ( -3.842 -4.015 0.543) 5.584 19.833 ( -16.849 3.454 16.264) 23.671 19.932 ( -4.216 -1.548 -4.478) 6.342 20.352 ( -3.955 9.671 -0.375) 10.455 20.506 ( -3.573 16.853 16.118) 23.591 21.034 ( -0.101 -4.704 3.812) 6.056 21.469 ( 19.614 -19.175 -13.908) 30.754 23.635 ( -8.872 10.632 -4.135) 14.452 23.856 ( -1.460 -0.312 -0.812) 1.700 24.019 ( -0.614 -0.702 0.946) 1.328 24.141 ( 1.808 -3.443 5.907) 7.072 ======================= Grid point 15 (10/129) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 11.511 4.495 -2.001) 12.519 0.739 ( 11.595 4.410 7.742) 14.623 0.948 ( 5.407 9.178 4.651) 11.623 1.028 ( 6.016 1.353 2.572) 6.681 1.170 ( 1.621 0.465 -1.711) 2.403 1.222 ( -0.767 -0.607 -0.015) 0.978 1.284 ( 0.925 0.460 -0.893) 1.366 1.397 ( -1.450 -6.723 2.252) 7.237 1.513 ( 2.750 -5.995 -2.593) 7.087 1.764 ( 2.036 4.957 0.094) 5.360 1.904 ( 5.501 1.041 -8.452) 10.138 2.094 ( -5.495 -5.093 1.203) 7.588 2.358 ( -1.254 -1.793 8.855) 9.121 2.485 ( -3.478 4.499 -3.520) 6.688 2.641 ( -0.988 1.298 -0.754) 1.798 2.705 ( -2.686 -4.146 6.570) 8.220 2.945 ( 3.399 3.333 0.978) 4.860 3.131 ( 2.476 -2.980 -0.471) 3.903 3.245 ( -6.935 -1.589 0.125) 7.116 3.408 ( -2.705 -3.729 0.452) 4.628 3.600 ( 0.882 -1.363 -0.005) 1.623 3.807 ( -2.040 4.812 -4.593) 6.957 3.983 ( -2.620 -5.300 7.045) 9.197 4.029 ( -4.218 -1.703 -0.239) 4.555 4.179 ( -2.086 -3.176 -0.655) 3.856 4.306 ( -6.403 -4.637 -2.427) 8.270 4.433 ( -0.751 0.506 -0.440) 1.007 4.517 ( 0.343 -0.463 1.245) 1.372 6.915 ( -7.613 5.687 2.064) 9.724 7.210 ( 1.164 3.368 -2.909) 4.600 7.578 ( 0.050 -5.582 1.155) 5.701 7.850 ( 3.351 -0.826 1.241) 3.667 8.163 ( 1.441 2.260 -1.086) 2.892 8.369 ( -6.226 -3.592 -1.419) 7.327 8.606 ( -1.657 1.867 1.352) 2.840 8.693 ( 1.663 5.615 -0.890) 5.923 8.804 ( 5.402 -2.332 2.662) 6.458 8.865 ( 3.154 -4.025 2.908) 5.883 9.020 ( 3.207 -3.164 1.691) 4.812 9.080 ( 2.796 -2.451 0.817) 3.807 13.332 ( -0.490 3.939 1.814) 4.364 13.859 ( -4.469 9.987 -1.729) 11.077 14.083 ( 0.127 -19.689 2.310) 19.824 14.528 ( 2.856 -8.338 -5.402) 10.338 14.923 ( -0.012 19.369 0.722) 19.382 15.276 ( -1.288 2.811 0.581) 3.147 15.439 ( 0.096 2.687 -6.594) 7.121 15.955 ( -1.049 -6.238 1.337) 6.465 18.930 ( 0.360 -0.718 1.040) 1.314 19.127 ( -6.771 -3.394 1.864) 7.800 19.638 ( -9.975 4.685 12.211) 16.449 19.819 ( -5.003 -1.779 -5.609) 7.724 20.257 ( -3.698 8.683 -6.133) 11.255 20.618 ( 4.551 6.005 12.184) 14.325 21.058 ( 0.453 -0.790 5.863) 5.934 21.636 ( 6.034 -11.452 -9.616) 16.125 23.545 ( -0.788 6.374 -0.929) 6.489 23.818 ( -1.845 -2.124 -1.153) 3.041 24.001 ( -1.660 1.203 0.532) 2.118 24.150 ( -2.100 -1.435 3.631) 4.433 ======================= Grid point 16 (11/129) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 9.927 2.260 -4.822) 11.265 0.963 ( 7.844 4.169 6.815) 11.196 1.019 ( 0.655 -0.327 3.951) 4.018 1.127 ( 0.969 -1.911 -0.650) 2.239 1.214 ( 2.774 4.050 0.355) 4.922 1.231 ( 2.794 3.911 1.659) 5.084 1.320 ( 3.394 4.351 2.974) 6.269 1.403 ( 0.786 -5.312 2.414) 5.887 1.570 ( 3.995 -5.095 -1.234) 6.591 1.793 ( 0.628 4.568 -1.041) 4.727 1.972 ( 2.748 -0.349 -3.846) 4.739 2.003 ( -2.194 -2.003 0.047) 2.971 2.375 ( -1.784 -3.840 8.773) 9.742 2.442 ( 0.781 3.288 -0.620) 3.435 2.603 ( -2.601 -4.030 0.166) 4.799 2.707 ( 0.840 -1.203 2.452) 2.858 2.922 ( -7.813 -2.786 -1.517) 8.433 3.113 ( 1.359 5.785 1.288) 6.081 3.179 ( -3.034 -5.349 -2.585) 6.670 3.379 ( 0.238 3.749 3.065) 4.849 3.605 ( -0.689 2.397 0.320) 2.515 3.719 ( -4.625 4.266 -6.445) 9.007 3.852 ( -7.599 1.511 -7.878) 11.049 3.962 ( -5.551 -6.221 5.976) 10.258 4.128 ( -4.029 -2.966 -0.269) 5.010 4.192 ( -3.869 -4.997 0.630) 6.352 4.413 ( -1.050 0.477 -0.902) 1.464 4.517 ( -0.820 -0.220 0.837) 1.192 6.783 ( -7.202 7.839 3.473) 11.197 7.207 ( -0.801 6.164 -4.584) 7.723 7.537 ( -3.128 -6.593 1.536) 7.458 7.934 ( 3.794 -8.207 0.428) 9.052 8.195 ( -2.101 -1.742 0.212) 2.738 8.277 ( 1.149 -0.684 -0.998) 1.668 8.586 ( -0.655 3.218 1.653) 3.677 8.708 ( 0.321 8.204 -0.987) 8.270 8.880 ( 1.749 -2.699 2.562) 4.112 8.962 ( 4.918 -5.113 1.993) 7.369 9.094 ( 3.274 -2.222 0.758) 4.029 9.141 ( 3.550 -1.174 1.870) 4.181 13.334 ( -0.237 3.594 1.907) 4.075 13.767 ( -4.196 11.570 -1.639) 12.416 14.091 ( -0.411 -19.713 2.020) 19.820 14.547 ( 1.412 -8.952 -3.738) 9.804 14.921 ( -0.528 18.584 0.746) 18.606 15.267 ( -0.983 1.906 3.850) 4.407 15.411 ( 0.644 3.110 -8.581) 9.150 15.939 ( -1.277 -6.041 1.598) 6.378 18.950 ( 0.477 -2.504 1.602) 3.011 19.009 ( -5.505 -1.748 1.683) 6.015 19.536 ( -5.440 2.936 5.666) 8.385 19.697 ( -5.114 -1.581 -4.436) 6.952 20.159 ( -2.655 8.017 -9.638) 12.815 20.733 ( 1.470 -5.807 10.359) 11.966 21.118 ( 3.109 6.745 6.837) 10.095 21.670 ( 2.205 -5.911 -7.162) 9.544 23.561 ( 2.082 3.223 0.297) 3.849 23.780 ( -1.459 -2.425 -1.115) 3.041 23.960 ( -2.654 1.948 0.183) 3.297 24.110 ( -3.223 -1.017 2.207) 4.037 ======================= Grid point 17 (12/129) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 6.545 1.407 -5.792) 8.852 1.026 ( -0.398 2.127 2.430) 3.253 1.085 ( -2.240 2.778 -0.087) 3.570 1.095 ( 1.581 3.874 6.319) 7.579 1.271 ( 2.754 5.271 -0.876) 6.011 1.326 ( 4.999 -0.442 1.580) 5.261 1.395 ( 0.889 1.370 2.718) 3.171 1.454 ( 3.841 -2.884 3.566) 5.982 1.645 ( 3.784 -2.509 -0.262) 4.548 1.768 ( -2.038 -0.074 -0.065) 2.041 1.962 ( -0.017 1.244 2.456) 2.753 2.032 ( 2.278 -2.426 -3.745) 5.010 2.378 ( -0.960 -4.145 5.167) 6.694 2.484 ( 0.933 1.128 -1.106) 1.835 2.515 ( -5.205 -4.514 -1.576) 7.067 2.752 ( 1.578 -3.428 2.939) 4.783 2.793 ( -1.407 1.763 1.861) 2.925 3.077 ( -4.376 -3.917 -1.966) 6.193 3.178 ( 2.316 6.515 3.427) 7.717 3.426 ( 2.036 1.859 3.275) 4.281 3.550 ( -6.608 1.607 -7.230) 9.926 3.578 ( -5.061 5.594 -4.267) 8.667 3.670 ( -5.834 2.674 -7.297) 9.718 3.889 ( -3.857 -4.261 3.169) 6.563 4.053 ( -3.117 -4.866 1.017) 5.868 4.142 ( -2.411 -2.683 0.953) 3.731 4.381 ( -1.865 0.800 -0.787) 2.177 4.496 ( -1.571 -0.551 0.372) 1.706 6.673 ( -5.622 8.676 2.943) 10.749 7.123 ( -5.282 11.298 -3.881) 13.062 7.507 ( -0.612 -10.273 0.624) 10.310 7.993 ( 2.762 -8.717 -1.504) 9.267 8.126 ( -2.559 -1.581 0.940) 3.151 8.317 ( -0.428 -6.165 1.000) 6.260 8.615 ( 2.728 5.593 -1.060) 6.312 8.712 ( 1.158 6.741 1.521) 7.007 8.913 ( 0.782 -2.644 1.427) 3.104 9.048 ( 3.154 -3.313 2.072) 5.021 9.136 ( 1.369 -1.951 0.114) 2.386 9.237 ( 4.540 -0.281 2.096) 5.008 13.339 ( -0.083 3.076 1.543) 3.442 13.689 ( -3.142 13.023 -1.175) 13.448 14.087 ( -0.695 -19.451 1.399) 19.513 14.551 ( 0.433 -9.959 -2.412) 10.256 14.910 ( -0.834 17.880 0.457) 17.905 15.269 ( -1.024 3.209 5.304) 6.283 15.388 ( 0.977 2.167 -8.564) 8.888 15.922 ( -1.120 -5.893 1.424) 6.165 18.902 ( -4.447 -0.389 3.148) 5.462 18.998 ( 1.987 -3.133 -0.891) 3.815 19.470 ( -3.299 1.494 2.041) 4.157 19.589 ( -4.396 -1.275 -2.335) 5.138 20.075 ( -1.425 7.717 -9.406) 12.250 20.766 ( -1.587 -13.055 6.940) 14.870 21.233 ( 5.021 10.756 7.260) 13.914 21.669 ( 0.788 -2.579 -5.507) 6.132 23.615 ( 3.122 1.774 0.816) 3.683 23.753 ( -0.887 -1.207 -0.897) 1.746 23.904 ( -3.161 1.583 -0.121) 3.537 24.054 ( -3.263 -1.478 1.192) 3.775 ======================= Grid point 18 (13/129) ======================= q-point: ( 0.42 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -0.424 1.421 -4.290) 4.539 1.022 ( 0.559 8.110 0.475) 8.143 1.081 ( 1.397 1.615 2.713) 3.452 1.121 ( -1.327 5.009 2.840) 5.909 1.301 ( 0.433 6.377 -0.961) 6.463 1.389 ( -0.014 1.143 0.950) 1.487 1.412 ( 2.797 -1.948 0.801) 3.501 1.533 ( 1.470 -3.211 0.762) 3.613 1.699 ( 1.732 0.249 -0.066) 1.751 1.770 ( 2.400 -5.199 3.754) 6.847 1.970 ( -1.149 -2.877 -1.284) 3.353 2.053 ( 1.821 -2.948 0.177) 3.470 2.311 ( -6.979 1.596 -6.459) 9.642 2.388 ( -1.083 -3.691 2.129) 4.396 2.574 ( 3.337 -1.051 4.929) 6.045 2.783 ( 0.408 -5.046 4.896) 7.043 2.844 ( 3.360 2.162 -1.134) 4.153 3.034 ( -0.262 1.831 1.985) 2.713 3.215 ( -0.102 4.591 2.700) 5.327 3.365 ( -5.836 0.024 -10.308) 11.845 3.431 ( -5.122 -0.252 -5.483) 7.508 3.466 ( -0.897 2.087 3.131) 3.868 3.607 ( -0.491 4.996 -1.421) 5.218 3.847 ( -1.354 -2.355 0.861) 2.850 4.023 ( -0.730 -4.305 1.418) 4.591 4.102 ( -1.922 -2.163 -0.067) 2.894 4.338 ( -2.026 1.698 -0.467) 2.684 4.468 ( -1.186 -1.054 0.085) 1.588 6.597 ( -3.213 8.763 1.517) 9.456 7.007 ( -4.502 14.627 -2.099) 15.447 7.503 ( -0.151 -12.710 -0.173) 12.712 8.026 ( 1.530 -8.152 -1.448) 8.420 8.127 ( 1.695 -1.451 1.408) 2.638 8.271 ( -3.855 -5.828 0.896) 7.045 8.621 ( -0.597 9.448 -2.164) 9.711 8.794 ( 4.906 -1.728 2.197) 5.646 8.919 ( -0.732 -3.900 0.413) 3.990 9.103 ( 1.681 -2.160 0.865) 2.870 9.161 ( 1.044 1.472 1.166) 2.149 9.311 ( 2.347 -0.469 0.772) 2.515 13.343 ( -0.078 2.687 0.821) 2.811 13.639 ( -1.561 13.867 -0.545) 13.966 14.079 ( -0.535 -19.022 0.680) 19.042 14.546 ( 0.001 -10.891 -1.207) 10.958 14.896 ( -0.635 17.339 0.160) 17.351 15.274 ( -0.696 6.467 4.065) 7.670 15.372 ( 0.722 -0.440 -5.708) 5.770 15.910 ( -0.642 -5.806 0.833) 5.900 18.849 ( -2.188 0.928 1.685) 2.913 19.030 ( 1.549 -3.841 -0.766) 4.212 19.428 ( -1.671 0.652 0.560) 1.879 19.513 ( -2.678 -1.001 -0.749) 2.955 20.023 ( -0.475 7.489 -5.717) 9.433 20.755 ( -1.601 -14.937 3.419) 15.407 21.351 ( 3.713 10.533 5.340) 12.379 21.655 ( 0.012 -0.629 -3.729) 3.781 23.681 ( 3.055 1.256 0.820) 3.404 23.739 ( -0.242 0.753 -0.513) 0.943 23.842 ( -3.083 0.608 -0.338) 3.160 24.003 ( -2.154 -2.338 0.480) 3.215 ======================= Grid point 19 (14/129) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 0.000 4.270 0.000) 4.270 1.045 ( 0.000 11.575 0.000) 11.575 1.097 ( 0.000 1.032 -0.000) 1.032 1.108 ( 0.000 1.361 0.000) 1.361 1.297 ( 0.000 6.902 0.000) 6.902 1.393 ( 0.000 -0.507 0.000) 0.507 1.457 ( -0.000 1.964 0.000) 1.964 1.527 ( 0.000 -5.083 0.000) 5.083 1.715 ( 0.000 0.676 0.000) 0.676 1.861 ( -0.000 -6.867 -0.000) 6.867 1.900 ( 0.000 -7.100 0.000) 7.100 2.094 ( -0.000 -5.448 0.000) 5.448 2.211 ( 0.000 7.214 0.000) 7.214 2.382 ( 0.000 -2.831 0.000) 2.831 2.630 ( -0.000 -1.511 0.000) 1.511 2.799 ( 0.000 -5.533 0.000) 5.533 2.880 ( 0.000 3.295 -0.000) 3.295 3.038 ( 0.000 4.558 0.000) 4.558 3.212 ( -0.000 3.171 0.000) 3.171 3.285 ( -0.000 -2.425 0.000) 2.425 3.358 ( -0.000 2.414 0.000) 2.414 3.466 ( 0.000 0.656 -0.000) 0.656 3.600 ( 0.000 2.389 0.000) 2.389 3.839 ( 0.000 -1.127 0.000) 1.127 4.024 ( 0.000 -3.088 0.000) 3.088 4.078 ( 0.000 -2.704 0.000) 2.704 4.315 ( 0.000 2.304 0.000) 2.304 4.456 ( 0.000 -1.255 0.000) 1.255 6.569 ( 0.000 8.683 0.000) 8.683 6.956 ( 0.000 15.843 0.000) 15.843 7.500 ( 0.000 -13.523 0.000) 13.523 8.040 ( -0.000 -7.328 0.000) 7.328 8.167 ( -0.000 -4.235 0.000) 4.235 8.215 ( 0.000 -3.182 0.000) 3.182 8.606 ( 0.000 10.303 0.000) 10.303 8.868 ( 0.000 -4.799 0.000) 4.799 8.894 ( 0.000 -4.429 0.000) 4.429 9.120 ( 0.000 -3.434 -0.000) 3.434 9.178 ( 0.000 4.856 0.000) 4.856 9.335 ( 0.000 -0.579 0.000) 0.579 13.344 ( 0.000 2.591 0.000) 2.591 13.623 ( 0.000 14.078 0.000) 14.078 14.075 ( 0.000 -18.810 0.000) 18.810 14.543 ( 0.000 -11.273 0.000) 11.273 14.890 ( 0.000 17.136 0.000) 17.136 15.277 ( 0.000 8.508 0.000) 8.508 15.366 ( 0.000 -2.181 0.000) 2.181 15.906 ( 0.000 -5.777 0.000) 5.777 18.832 ( -0.000 1.363 0.000) 1.363 19.044 ( 0.000 -4.077 0.000) 4.077 19.413 ( 0.000 0.390 0.000) 0.390 19.485 ( 0.000 -0.878 -0.000) 0.878 20.005 ( 0.000 7.382 0.000) 7.382 20.746 ( 0.000 -15.236 0.000) 15.236 21.403 ( 0.000 10.136 0.000) 10.136 21.644 ( 0.000 -0.002 0.000) 0.002 23.716 ( 0.000 1.021 0.000) 1.021 23.744 ( 0.000 2.783 0.000) 2.783 23.798 ( 0.000 -0.782 0.000) 0.782 23.983 ( 0.000 -2.836 0.000) 2.836 ======================= Grid point 26 (15/129) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 0.000 12.510 0.000) 12.510 0.615 ( 0.000 14.962 0.000) 14.962 0.772 ( 0.000 -9.883 0.000) 9.883 0.882 ( 0.000 -11.048 0.000) 11.048 1.220 ( 0.000 2.374 0.000) 2.374 1.257 ( 0.000 -1.635 0.000) 1.635 1.310 ( 0.000 -2.743 0.000) 2.743 1.317 ( 0.000 1.492 0.000) 1.492 1.423 ( 0.000 19.755 0.000) 19.755 1.822 ( 0.000 0.227 0.000) 0.227 1.834 ( 0.000 1.483 0.000) 1.483 1.896 ( 0.000 -19.265 0.000) 19.265 2.412 ( 0.000 2.938 0.000) 2.938 2.475 ( 0.000 -3.388 0.000) 3.388 2.738 ( 0.000 3.640 0.000) 3.640 2.753 ( 0.000 2.497 0.000) 2.497 2.913 ( 0.000 6.372 0.000) 6.372 3.053 ( 0.000 -7.431 0.000) 7.431 3.113 ( 0.000 8.083 0.000) 8.083 3.285 ( 0.000 -9.681 0.000) 9.681 3.561 ( 0.000 1.496 0.000) 1.496 3.605 ( 0.000 -2.511 0.000) 2.511 4.086 ( 0.000 7.021 0.000) 7.021 4.198 ( 0.000 -4.560 0.000) 4.560 4.227 ( 0.000 4.872 0.000) 4.872 4.336 ( 0.000 -6.133 0.000) 6.133 4.458 ( 0.000 -0.393 0.000) 0.393 4.460 ( 0.000 -0.645 0.000) 0.645 7.077 ( 0.000 4.675 0.000) 4.675 7.208 ( 0.000 -7.839 0.000) 7.839 7.729 ( 0.000 9.372 0.000) 9.372 7.814 ( 0.000 0.882 0.000) 0.882 8.212 ( 0.000 4.049 0.000) 4.049 8.343 ( 0.000 -8.115 0.000) 8.115 8.601 ( 0.000 2.329 0.000) 2.329 8.659 ( 0.000 -3.703 0.000) 3.703 8.699 ( 0.000 3.537 0.000) 3.537 8.763 ( 0.000 -0.386 0.000) 0.386 8.878 ( 0.000 0.101 0.000) 0.101 8.940 ( 0.000 -3.816 0.000) 3.816 13.470 ( 0.000 9.304 0.000) 9.304 13.708 ( 0.000 -15.139 0.000) 15.139 14.155 ( 0.000 8.469 0.000) 8.469 14.316 ( 0.000 -7.520 0.000) 7.520 15.239 ( 0.000 10.929 0.000) 10.929 15.354 ( 0.000 -2.809 0.000) 2.809 15.566 ( 0.000 8.862 0.000) 8.862 15.789 ( 0.000 -11.643 0.000) 11.643 19.045 ( 0.000 5.654 0.000) 5.654 19.163 ( 0.000 -5.997 0.000) 5.997 19.954 ( 0.000 -0.725 0.000) 0.725 19.959 ( 0.000 -1.510 0.000) 1.510 20.604 ( 0.000 12.508 0.000) 12.508 20.829 ( 0.000 -9.594 0.000) 9.594 20.920 ( 0.000 0.856 0.000) 0.856 20.936 ( 0.000 -1.369 0.000) 1.369 23.893 ( 0.000 0.792 0.000) 0.792 23.900 ( 0.000 0.000 0.000) 0.000 23.983 ( 0.000 0.912 0.000) 0.912 24.009 ( 0.000 -1.629 0.000) 1.629 ======================= Grid point 27 (16/129) ======================= q-point: ( 0.08 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 3.221 10.937 3.664) 11.975 0.684 ( 6.646 11.791 0.541) 13.546 0.793 ( 1.596 -9.045 3.054) 9.679 0.912 ( 3.392 -9.993 -1.134) 10.613 1.222 ( 0.255 1.919 0.058) 1.937 1.264 ( 0.697 -1.307 -0.197) 1.495 1.304 ( -0.476 -1.489 1.013) 1.862 1.336 ( 1.696 -3.081 -1.370) 3.774 1.442 ( 2.098 22.495 0.884) 22.610 1.821 ( 0.922 3.693 0.051) 3.806 1.867 ( 3.219 -1.361 -4.080) 5.372 1.897 ( -0.223 -18.494 1.393) 18.548 2.399 ( -2.315 3.841 3.749) 5.845 2.516 ( -0.122 -8.238 6.739) 10.644 2.690 ( -3.643 5.391 -1.659) 6.715 2.747 ( -0.680 0.965 -1.022) 1.561 2.956 ( 3.281 6.010 0.398) 6.859 3.080 ( 1.408 -2.311 -1.021) 2.892 3.173 ( 5.144 -0.822 0.875) 5.282 3.277 ( 0.126 -7.558 0.429) 7.571 3.581 ( 1.482 2.719 2.483) 3.969 3.659 ( 3.519 -4.729 6.481) 8.761 4.054 ( -2.822 6.489 -0.965) 7.142 4.161 ( -2.868 -4.304 -2.508) 5.748 4.191 ( -3.136 4.607 -2.045) 5.937 4.303 ( -3.123 -6.287 -2.141) 7.339 4.459 ( -0.122 0.585 0.998) 1.163 4.475 ( 0.892 -1.022 1.445) 1.982 7.076 ( -0.128 4.990 -0.979) 5.087 7.200 ( -0.257 -6.632 -1.249) 6.753 7.656 ( -5.076 10.425 2.216) 11.805 7.812 ( -2.221 -4.422 0.678) 4.995 8.222 ( 0.993 5.284 -0.924) 5.456 8.343 ( -0.570 -6.542 -0.612) 6.595 8.643 ( 2.994 1.709 1.471) 3.748 8.694 ( 0.275 2.350 1.910) 3.041 8.702 ( 3.131 -2.138 1.387) 4.037 8.778 ( 1.610 -1.079 0.681) 2.054 8.891 ( 1.772 0.412 -0.972) 2.063 8.962 ( 2.245 -4.147 -0.893) 4.799 13.469 ( -0.290 9.635 1.207) 9.715 13.714 ( 0.297 -15.398 0.993) 15.433 14.137 ( -1.763 9.829 0.064) 9.986 14.324 ( 0.788 -8.967 -0.879) 9.045 15.231 ( -0.433 10.288 -1.069) 10.353 15.333 ( -1.208 -1.807 -2.535) 3.339 15.563 ( -0.012 9.181 -1.460) 9.297 15.786 ( -0.326 -11.549 0.427) 11.561 19.012 ( -2.915 5.346 0.017) 6.089 19.127 ( -3.613 -5.968 0.292) 6.982 19.863 ( -8.545 1.149 3.115) 9.168 19.894 ( -5.287 -1.955 -1.828) 5.925 20.555 ( -5.298 10.318 2.513) 11.868 20.696 ( -6.125 -0.744 5.607) 8.338 20.994 ( 6.453 4.348 1.524) 7.929 21.174 ( 14.723 -12.060 -4.643) 19.590 23.772 ( -6.751 4.460 -3.361) 8.762 23.834 ( -3.951 -2.089 -2.062) 4.922 24.030 ( 1.490 1.798 2.034) 3.097 24.079 ( 2.738 -2.947 3.064) 5.057 ======================= Grid point 28 (17/129) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 6.563 7.693 2.974) 10.541 0.839 ( 6.996 1.455 3.509) 7.961 0.869 ( 5.034 -2.338 4.451) 7.114 0.992 ( 4.997 -6.954 -0.878) 8.608 1.235 ( 1.117 2.800 0.570) 3.068 1.277 ( 0.583 0.052 -0.585) 0.827 1.302 ( -0.276 -1.552 1.781) 2.379 1.371 ( 2.810 -7.026 -1.416) 7.698 1.510 ( 3.870 21.979 2.213) 22.427 1.857 ( 2.791 4.138 -1.117) 5.115 1.898 ( -0.571 -14.539 2.211) 14.717 1.916 ( 3.686 -1.786 -3.832) 5.609 2.359 ( -3.674 3.422 5.602) 7.522 2.495 ( -4.677 -9.080 7.395) 12.610 2.607 ( -3.524 6.676 -2.539) 7.964 2.717 ( -1.521 -1.860 -2.383) 3.384 2.986 ( -0.783 2.873 -2.054) 3.618 3.082 ( -0.099 -4.433 -4.285) 6.166 3.232 ( 1.467 3.468 1.820) 4.182 3.335 ( 3.489 -4.827 3.590) 6.954 3.631 ( 1.617 4.564 4.662) 6.722 3.754 ( 2.068 -7.266 5.668) 9.444 3.981 ( -3.911 5.271 -1.153) 6.664 4.072 ( -4.903 0.793 -7.131) 8.690 4.104 ( -4.094 -1.302 0.209) 4.301 4.197 ( -6.304 -6.081 -3.190) 9.322 4.459 ( -0.491 1.824 1.034) 2.153 4.494 ( 0.258 -1.638 1.514) 2.245 7.050 ( -2.456 8.007 -0.189) 8.377 7.201 ( 1.349 -5.869 -2.246) 6.427 7.587 ( -3.630 7.198 2.273) 8.376 7.756 ( -2.763 -7.949 0.648) 8.441 8.228 ( -0.453 3.453 -0.146) 3.486 8.295 ( -3.972 -3.687 -0.226) 5.424 8.668 ( -0.233 4.243 1.488) 4.502 8.751 ( 2.621 -2.265 2.458) 4.248 8.787 ( 5.643 0.667 2.088) 6.054 8.834 ( 3.127 1.611 -0.095) 3.519 8.946 ( 4.399 -1.689 0.076) 4.712 9.008 ( 2.822 -4.705 -0.977) 5.572 13.470 ( -0.411 10.142 1.836) 10.315 13.725 ( 0.135 -15.773 1.414) 15.837 14.094 ( -2.611 12.372 -0.063) 12.645 14.330 ( 0.244 -11.456 -1.076) 11.509 15.215 ( -0.458 9.109 -2.032) 9.344 15.299 ( -0.876 -0.895 -2.761) 3.032 15.554 ( -0.153 9.858 -1.882) 10.037 15.780 ( -0.714 -11.340 0.968) 11.404 18.958 ( -2.488 3.322 0.727) 4.213 19.042 ( -4.905 -4.844 0.832) 6.944 19.714 ( -7.672 3.263 2.716) 8.769 19.773 ( -5.873 -2.784 -2.383) 6.923 20.454 ( -5.345 10.497 -0.281) 11.783 20.628 ( -4.218 -5.867 4.850) 8.703 21.146 ( 7.666 10.125 2.830) 13.011 21.386 ( 9.029 -13.241 -2.516) 16.223 23.665 ( -2.927 5.526 -1.936) 6.546 23.757 ( -2.744 -3.946 -1.774) 5.123 24.044 ( -0.809 3.020 1.394) 3.423 24.106 ( -0.927 -2.968 2.265) 3.847 ======================= Grid point 29 (18/129) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 7.106 4.923 -0.784) 8.680 0.948 ( 3.832 -5.234 2.291) 6.879 1.025 ( 6.935 2.938 6.650) 10.047 1.084 ( 4.033 -2.821 1.609) 5.178 1.274 ( 2.059 3.747 0.441) 4.298 1.275 ( -0.097 0.749 0.465) 0.887 1.319 ( 1.316 -1.000 2.810) 3.260 1.437 ( 4.429 -8.293 -0.224) 9.405 1.592 ( 3.132 17.689 2.511) 18.139 1.866 ( -2.667 -4.352 1.805) 5.414 1.917 ( 2.197 -0.921 -0.665) 2.474 1.968 ( 3.101 -1.424 -3.924) 5.200 2.322 ( -2.615 0.873 5.365) 6.032 2.433 ( -4.629 -8.641 6.976) 12.031 2.550 ( -0.892 5.963 -2.329) 6.463 2.677 ( -1.130 -4.946 -2.919) 5.854 2.920 ( -3.879 3.917 -2.290) 5.970 3.036 ( -2.239 -6.738 -4.717) 8.524 3.280 ( 1.954 8.224 3.396) 9.110 3.402 ( 1.664 -2.817 3.693) 4.934 3.665 ( -0.481 4.097 3.081) 5.149 3.756 ( -3.136 -3.452 -0.605) 4.703 3.899 ( -4.700 2.943 -0.138) 5.547 3.910 ( -7.221 3.992 -7.881) 11.410 4.044 ( -4.860 -4.703 0.214) 6.766 4.069 ( -2.729 -6.480 -1.561) 7.203 4.447 ( -1.219 2.440 0.527) 2.779 4.493 ( -1.014 -2.068 1.051) 2.532 6.987 ( -4.133 12.330 1.153) 13.055 7.219 ( 1.370 -9.095 -3.295) 9.770 7.519 ( -4.444 8.795 2.005) 10.056 7.739 ( 0.859 -11.374 -0.627) 11.424 8.182 ( -4.449 0.801 1.080) 4.648 8.228 ( -2.445 -3.427 0.542) 4.245 8.682 ( 1.115 5.810 1.657) 6.144 8.796 ( 1.354 -5.574 2.247) 6.161 8.864 ( 0.953 6.365 -1.948) 6.724 8.921 ( 5.853 0.644 1.505) 6.077 9.037 ( 3.908 -2.240 -0.303) 4.515 9.080 ( 5.242 -4.566 2.277) 7.315 13.470 ( -0.395 10.378 1.886) 10.555 13.731 ( -0.116 -15.982 1.368) 16.041 14.040 ( -2.810 14.691 -0.207) 14.958 14.322 ( -0.619 -13.547 -1.016) 13.600 15.197 ( -0.419 8.533 -2.395) 8.872 15.280 ( 0.012 -1.153 -1.953) 2.268 15.540 ( -0.472 10.497 -1.567) 10.624 15.768 ( -1.012 -11.130 1.331) 11.255 18.928 ( -1.137 0.525 1.037) 1.626 18.962 ( -3.419 -2.543 0.681) 4.315 19.597 ( -5.486 3.134 0.840) 6.374 19.654 ( -5.246 -2.691 -2.339) 6.342 20.353 ( -4.349 11.093 -2.637) 12.204 20.568 ( -4.069 -10.390 3.857) 11.806 21.300 ( 6.639 10.922 3.599) 13.279 21.511 ( 5.208 -10.031 -1.366) 11.384 23.637 ( 0.302 4.249 -0.652) 4.309 23.717 ( -0.772 -3.834 -1.062) 4.053 24.014 ( -2.742 3.221 0.656) 4.280 24.074 ( -3.010 -2.660 1.330) 4.231 ======================= Grid point 30 (19/129) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 5.064 3.475 -3.604) 7.122 1.019 ( 3.620 -2.123 -1.206) 4.366 1.137 ( 0.164 2.661 2.732) 3.818 1.165 ( 3.686 0.500 6.937) 7.871 1.291 ( 1.527 -0.327 2.592) 3.027 1.306 ( 1.289 -1.606 1.313) 2.442 1.395 ( 4.692 3.264 2.977) 6.444 1.532 ( 5.054 -7.486 0.599) 9.052 1.633 ( -0.344 13.755 1.583) 13.850 1.804 ( -3.991 -0.069 1.680) 4.331 1.935 ( -0.307 -1.801 -1.145) 2.156 1.978 ( -0.656 -3.827 -3.416) 5.172 2.314 ( -0.150 -0.354 3.379) 3.401 2.389 ( -2.473 -6.769 2.863) 7.754 2.543 ( 0.002 4.732 0.456) 4.754 2.655 ( -0.356 -6.077 0.267) 6.093 2.873 ( 0.855 5.701 -0.967) 5.845 2.986 ( -0.215 -5.374 -2.222) 5.819 3.320 ( 0.399 7.190 2.419) 7.597 3.424 ( -1.042 -2.812 1.577) 3.388 3.595 ( -6.761 3.007 -5.113) 8.994 3.647 ( -6.712 -0.213 -3.647) 7.642 3.754 ( -4.476 4.530 -1.983) 6.670 3.827 ( -3.160 -1.343 0.588) 3.484 3.970 ( -1.707 -1.270 0.568) 2.203 4.047 ( -0.620 -6.174 -0.422) 6.220 4.418 ( -1.805 2.553 0.092) 3.128 4.467 ( -1.871 -2.220 0.468) 2.941 6.910 ( -4.241 14.867 1.265) 15.512 7.214 ( -0.469 -14.248 -2.835) 14.535 7.443 ( -3.972 15.674 0.898) 16.195 7.763 ( 1.764 -14.770 -1.805) 14.984 8.117 ( -2.304 1.114 1.843) 3.153 8.185 ( -2.588 -5.938 1.784) 6.719 8.723 ( 2.375 5.116 0.804) 5.697 8.824 ( 0.640 -5.408 1.216) 5.580 8.858 ( -0.553 7.942 -1.622) 8.125 8.996 ( 1.822 -5.054 -0.757) 5.426 9.125 ( 5.002 2.678 2.097) 6.049 9.198 ( 5.107 -3.483 2.576) 6.697 13.471 ( -0.290 10.381 1.508) 10.494 13.733 ( -0.228 -16.001 1.036) 16.036 13.988 ( -2.353 16.289 -0.258) 16.460 14.300 ( -1.050 -15.006 -0.880) 15.069 15.178 ( -0.424 8.880 -2.003) 9.113 15.280 ( 0.689 -2.315 -1.124) 2.664 15.521 ( -0.798 11.244 -1.065) 11.323 15.754 ( -0.990 -11.044 1.273) 11.161 18.903 ( -1.923 0.752 1.221) 2.399 18.937 ( 0.333 -2.669 -0.441) 2.725 19.509 ( -3.797 2.324 -0.175) 4.455 19.554 ( -4.160 -2.189 -1.497) 4.933 20.268 ( -2.981 11.500 -3.212) 12.306 20.510 ( -3.363 -12.999 2.481) 13.655 21.430 ( 5.120 9.223 3.614) 11.150 21.583 ( 3.027 -6.258 -0.884) 7.008 23.661 ( 2.126 2.775 0.189) 3.501 23.715 ( 0.797 -2.548 -0.376) 2.696 23.951 ( -3.775 3.028 0.007) 4.839 24.011 ( -3.782 -2.826 0.517) 4.749 ======================= Grid point 31 (20/129) ======================= q-point: ( 0.42 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 1.748 4.532 -4.007) 6.297 1.074 ( 2.400 -1.423 -1.682) 3.258 1.144 ( 0.120 4.440 2.878) 5.293 1.210 ( -0.450 -0.506 1.994) 2.106 1.343 ( 1.968 0.070 3.487) 4.004 1.363 ( 3.077 -2.100 4.383) 5.752 1.486 ( 2.898 3.303 -0.302) 4.405 1.600 ( -1.541 13.656 -0.069) 13.743 1.620 ( 2.447 -7.221 0.511) 7.642 1.743 ( -2.577 0.307 1.906) 3.220 1.883 ( -4.021 -3.525 -3.345) 6.307 1.943 ( -0.756 -8.271 -0.495) 8.320 2.334 ( 0.744 -0.158 0.228) 0.794 2.349 ( -1.992 -0.003 -0.690) 2.108 2.571 ( 1.863 2.314 5.041) 5.852 2.666 ( 0.581 -6.217 3.399) 7.109 2.930 ( 4.174 5.529 -0.832) 6.978 3.023 ( 3.617 -3.159 0.356) 4.815 3.295 ( -3.206 3.216 -2.027) 4.973 3.347 ( -5.665 -2.184 -6.512) 8.903 3.456 ( -3.684 3.888 -2.036) 5.730 3.516 ( -5.314 -0.199 1.889) 5.643 3.695 ( -1.771 4.685 -0.554) 5.039 3.793 ( -0.899 -3.980 0.701) 4.140 3.968 ( 0.752 0.474 0.410) 0.979 4.031 ( -0.790 -4.419 -0.560) 4.524 4.384 ( -1.551 2.679 -0.079) 3.097 4.434 ( -1.452 -2.324 0.093) 2.742 6.844 ( -2.749 15.980 0.675) 16.229 7.186 ( -1.052 -17.705 -1.431) 17.794 7.380 ( -2.612 21.239 -0.006) 21.399 7.781 ( 0.848 -17.632 -1.587) 17.723 8.108 ( 0.128 0.111 1.460) 1.470 8.152 ( -1.587 -4.696 1.744) 5.255 8.772 ( 2.438 2.461 -0.319) 3.478 8.828 ( -0.191 -0.616 -1.250) 1.406 8.838 ( -1.183 5.598 1.161) 5.838 9.009 ( 0.337 -7.393 -0.674) 7.431 9.222 ( 3.551 3.782 1.950) 5.542 9.284 ( 2.720 -2.367 1.359) 3.854 13.472 ( -0.153 10.332 0.830) 10.367 13.732 ( -0.171 -15.901 0.546) 15.912 13.951 ( -1.325 17.070 -0.172) 17.122 14.278 ( -0.786 -15.816 -0.548) 15.845 15.164 ( -0.281 9.608 -1.105) 9.676 15.291 ( 0.703 -3.991 -0.483) 4.081 15.502 ( -0.717 12.328 -0.548) 12.361 15.743 ( -0.604 -11.084 0.767) 11.127 18.881 ( -0.782 2.464 0.484) 2.630 18.946 ( 0.678 -4.164 -0.506) 4.249 19.451 ( -2.023 1.657 -0.204) 2.623 19.486 ( -2.399 -1.698 -0.549) 2.990 20.213 ( -1.470 11.595 -2.134) 11.881 20.466 ( -1.925 -14.173 1.143) 14.348 21.524 ( 3.031 6.942 2.616) 8.014 21.621 ( 1.334 -3.137 -0.773) 3.496 23.712 ( 2.675 1.762 0.502) 3.242 23.740 ( 1.739 -0.837 0.095) 1.933 23.875 ( -3.859 2.885 -0.403) 4.835 23.943 ( -3.122 -3.626 0.003) 4.784 ======================= Grid point 32 (21/129) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.000 5.768 0.000) 5.768 1.093 ( 0.000 -2.115 -0.000) 2.115 1.158 ( 0.000 3.376 0.000) 3.376 1.204 ( 0.000 0.769 -0.000) 0.769 1.375 ( 0.000 1.250 -0.000) 1.250 1.428 ( -0.000 -4.415 -0.000) 4.415 1.485 ( 0.000 7.840 0.000) 7.840 1.585 ( 0.000 12.607 0.000) 12.607 1.642 ( 0.000 -7.776 0.000) 7.776 1.743 ( 0.000 -4.363 0.000) 4.363 1.809 ( 0.000 -0.731 0.000) 0.731 1.939 ( 0.000 -10.429 0.000) 10.429 2.322 ( 0.000 3.228 0.000) 3.228 2.343 ( 0.000 -0.566 0.000) 0.566 2.614 ( 0.000 1.121 0.000) 1.121 2.688 ( 0.000 -5.525 0.000) 5.525 2.978 ( 0.000 6.000 -0.000) 6.000 3.071 ( 0.000 -2.138 0.000) 2.138 3.245 ( -0.000 0.472 -0.000) 0.472 3.249 ( 0.000 -0.593 0.000) 0.593 3.424 ( -0.000 3.183 0.000) 3.183 3.464 ( 0.000 -1.000 0.000) 1.000 3.677 ( 0.000 5.475 -0.000) 5.475 3.788 ( 0.000 -4.715 0.000) 4.715 3.982 ( 0.000 -0.073 0.000) 0.073 4.018 ( 0.000 -2.993 0.000) 2.993 4.367 ( 0.000 2.841 0.000) 2.841 4.420 ( 0.000 -2.414 0.000) 2.414 6.818 ( 0.000 16.312 0.000) 16.312 7.171 ( 0.000 -18.757 -0.000) 18.757 7.353 ( 0.000 23.108 0.000) 23.108 7.784 ( -0.000 -19.056 0.000) 19.056 8.116 ( 0.000 -0.692 0.000) 0.692 8.141 ( 0.000 -3.117 0.000) 3.117 8.804 ( 0.000 -1.103 0.000) 1.103 8.820 ( 0.000 5.616 -0.000) 5.616 8.823 ( -0.000 2.700 0.000) 2.700 9.010 ( 0.000 -7.918 0.000) 7.918 9.263 ( 0.000 3.521 0.000) 3.521 9.313 ( 0.000 -1.701 0.000) 1.701 13.473 ( 0.000 10.316 0.000) 10.316 13.732 ( 0.000 -15.839 0.000) 15.839 13.938 ( 0.000 17.267 0.000) 17.267 14.269 ( 0.000 -16.065 0.000) 16.065 15.159 ( 0.000 9.958 0.000) 9.958 15.298 ( 0.000 -4.937 0.000) 4.937 15.493 ( 0.000 13.015 0.000) 13.015 15.739 ( 0.000 -11.123 0.000) 11.123 18.875 ( 0.000 3.101 0.000) 3.101 18.953 ( 0.000 -4.718 0.000) 4.718 19.431 ( 0.000 1.403 0.000) 1.403 19.461 ( 0.000 -1.478 0.000) 1.478 20.194 ( 0.000 11.575 0.000) 11.575 20.450 ( 0.000 -14.480 0.000) 14.480 21.561 ( 0.000 5.749 0.000) 5.749 21.631 ( 0.000 -1.731 0.000) 1.731 23.744 ( 0.000 1.674 0.000) 1.674 23.776 ( -0.000 -1.464 0.000) 1.464 23.817 ( 0.000 4.457 0.000) 4.457 23.908 ( 0.000 -4.546 0.000) 4.546 ======================= Grid point 65 (22/129) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( 2.895 0.000 15.167) 15.440 0.332 ( -10.199 0.000 16.045) 19.012 0.462 ( 10.004 0.000 22.555) 24.674 1.009 ( 1.030 0.000 1.819) 2.090 1.180 ( 0.602 0.000 -1.872) 1.967 1.261 ( -1.663 0.000 0.092) 1.666 1.306 ( -0.981 0.000 0.920) 1.345 1.448 ( -0.945 0.000 -5.582) 5.661 1.617 ( -0.615 0.000 -5.971) 6.002 1.667 ( -1.122 0.000 3.955) 4.111 1.874 ( -23.522 0.000 3.736) 23.817 2.248 ( 1.569 0.000 -4.381) 4.654 2.459 ( 3.852 0.000 6.997) 7.988 2.500 ( -4.704 0.000 -2.820) 5.485 2.612 ( -1.217 0.000 1.881) 2.241 2.746 ( 3.320 0.000 -2.800) 4.343 2.912 ( 14.752 0.000 2.747) 15.006 3.087 ( -4.864 0.000 7.480) 8.922 3.390 ( 16.357 0.000 1.864) 16.463 3.408 ( 1.810 0.000 -6.580) 6.824 3.594 ( 0.694 0.000 -0.723) 1.003 3.748 ( -4.989 0.000 -2.111) 5.417 4.071 ( -0.709 0.000 -1.387) 1.558 4.136 ( 16.529 0.000 -0.400) 16.534 4.278 ( -1.813 0.000 -1.079) 2.110 4.441 ( 0.597 0.000 -1.624) 1.730 4.481 ( 1.268 0.000 -1.502) 1.966 4.488 ( -0.451 0.000 -2.066) 2.115 7.116 ( 1.347 0.000 0.747) 1.540 7.143 ( -2.268 0.000 0.278) 2.285 7.447 ( 3.110 0.000 2.113) 3.760 7.719 ( -9.218 0.000 -1.037) 9.277 8.232 ( -1.547 0.000 1.286) 2.012 8.529 ( 2.875 0.000 -3.470) 4.506 8.589 ( 1.990 0.000 1.073) 2.261 8.669 ( 0.120 0.000 3.141) 3.143 8.682 ( 0.455 0.000 2.325) 2.369 8.960 ( -0.765 0.000 -3.682) 3.761 8.986 ( 0.574 0.000 -0.292) 0.644 9.057 ( 9.155 0.000 0.575) 9.173 13.330 ( 0.574 0.000 2.701) 2.762 13.831 ( -0.624 0.000 -2.772) 2.842 14.466 ( -0.031 0.000 1.373) 1.374 14.513 ( 2.078 0.000 1.940) 2.843 14.840 ( -34.057 0.000 -1.585) 34.094 15.091 ( 2.697 0.000 -9.209) 9.595 15.563 ( -4.113 0.000 7.512) 8.564 16.022 ( 1.046 0.000 -1.166) 1.566 18.927 ( 0.071 0.000 0.098) 0.121 19.278 ( -1.853 0.000 -2.636) 3.222 19.959 ( -5.289 0.000 -2.051) 5.673 20.084 ( 17.711 0.000 -4.015) 18.161 20.216 ( 80.949 0.000 1.634) 80.966 20.280 ( -6.113 0.000 1.848) 6.387 21.118 ( 4.580 0.000 3.060) 5.508 21.521 ( -42.589 0.000 -1.034) 42.602 23.432 ( -0.155 0.000 1.974) 1.980 23.838 ( 0.610 0.000 -2.381) 2.457 23.984 ( 14.273 0.000 -0.105) 14.273 24.044 ( -0.186 0.000 -0.499) 0.533 ======================= Grid point 66 (23/129) ======================= q-point: ( 0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.253 ( 0.572 0.000 9.659) 9.676 0.525 ( 10.761 0.000 10.918) 15.330 0.810 ( 12.649 0.000 19.401) 23.160 1.055 ( 2.533 0.000 2.963) 3.898 1.178 ( -0.175 0.000 -1.327) 1.339 1.227 ( -1.294 0.000 -2.137) 2.498 1.292 ( -0.697 0.000 1.432) 1.593 1.422 ( 0.929 0.000 -4.721) 4.811 1.617 ( 4.332 0.000 -7.480) 8.644 1.648 ( -2.266 0.000 2.805) 3.606 1.684 ( -3.092 0.000 2.356) 3.887 2.221 ( -2.779 0.000 -2.195) 3.541 2.423 ( -2.945 0.000 -1.345) 3.238 2.538 ( 1.144 0.000 7.030) 7.122 2.606 ( -0.387 0.000 1.754) 1.796 2.797 ( 4.051 0.000 -1.020) 4.177 2.994 ( -5.811 0.000 8.120) 9.985 3.119 ( 6.560 0.000 3.049) 7.234 3.353 ( -4.596 0.000 -6.760) 8.174 3.573 ( -4.376 0.000 -0.140) 4.378 3.602 ( 5.678 0.000 -2.989) 6.417 3.623 ( -3.838 0.000 -5.826) 6.977 4.024 ( -3.834 0.000 -1.339) 4.061 4.228 ( -2.190 0.000 -2.074) 3.016 4.290 ( 2.165 0.000 -4.704) 5.178 4.412 ( -2.727 0.000 -4.050) 4.882 4.462 ( -2.237 0.000 0.858) 2.396 4.498 ( 1.017 0.000 -1.130) 1.520 7.060 ( -6.178 0.000 3.064) 6.896 7.121 ( 0.141 0.000 -1.770) 1.776 7.629 ( 12.427 0.000 3.574) 12.931 7.662 ( 0.048 0.000 -0.646) 0.648 8.183 ( -3.466 0.000 0.481) 3.499 8.520 ( -3.442 0.000 -1.718) 3.846 8.602 ( -5.580 0.000 -1.200) 5.707 8.644 ( 1.909 0.000 2.758) 3.354 8.751 ( 5.690 0.000 2.355) 6.158 8.924 ( 0.419 0.000 -2.050) 2.092 9.014 ( 2.363 0.000 0.334) 2.386 9.124 ( 0.613 0.000 -0.074) 0.617 13.349 ( -0.189 0.000 3.668) 3.672 13.779 ( -3.131 0.000 -3.489) 4.688 14.467 ( -0.586 0.000 1.920) 2.008 14.522 ( -4.135 0.000 3.454) 5.388 14.572 ( 2.356 0.000 3.816) 4.485 15.107 ( 3.422 0.000 -9.837) 10.416 15.509 ( -4.773 0.000 6.773) 8.285 16.032 ( 0.337 0.000 -0.455) 0.566 18.932 ( 0.450 0.000 0.109) 0.463 19.217 ( -2.951 0.000 -4.007) 4.977 19.841 ( -5.066 0.000 -4.295) 6.641 20.132 ( -8.062 0.000 -5.180) 9.583 20.162 ( -3.918 0.000 4.475) 5.948 20.822 ( -20.933 0.000 19.829) 28.833 21.207 ( 1.973 0.000 7.034) 7.305 21.231 ( 25.821 0.000 -22.500) 34.249 23.451 ( 1.200 0.000 2.192) 2.499 23.831 ( -0.253 0.000 -2.420) 2.433 24.024 ( -1.535 0.000 -0.846) 1.752 24.176 ( 4.670 0.000 -5.102) 6.916 ======================= Grid point 67 (24/129) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 10.692 0.000 -3.245) 11.174 0.766 ( 9.521 0.000 6.840) 11.723 1.070 ( 5.851 0.000 11.780) 13.153 1.135 ( 4.538 0.000 3.392) 5.666 1.157 ( -1.180 0.000 -1.588) 1.979 1.197 ( -0.983 0.000 -2.026) 2.252 1.317 ( 2.309 0.000 5.231) 5.718 1.442 ( 2.569 0.000 -2.161) 3.357 1.615 ( -1.597 0.000 0.206) 1.610 1.675 ( 2.110 0.000 -0.286) 2.130 1.715 ( 7.908 0.000 -7.239) 10.721 2.134 ( -5.302 0.000 0.225) 5.307 2.377 ( -1.053 0.000 -0.426) 1.136 2.564 ( -0.336 0.000 -0.250) 0.419 2.602 ( -1.968 0.000 5.516) 5.856 2.892 ( 4.885 0.000 2.068) 5.304 2.938 ( -2.757 0.000 6.318) 6.894 3.180 ( -9.886 0.000 -4.673) 10.935 3.235 ( 4.459 0.000 3.381) 5.596 3.415 ( -8.107 0.000 -5.388) 9.734 3.579 ( -1.263 0.000 -1.432) 1.909 3.628 ( -0.867 0.000 -5.227) 5.298 3.903 ( -7.736 0.000 -2.831) 8.238 4.183 ( -1.783 0.000 -0.894) 1.994 4.228 ( -5.883 0.000 -1.853) 6.168 4.359 ( -2.287 0.000 -0.413) 2.324 4.407 ( -2.425 0.000 -0.451) 2.467 4.507 ( 0.475 0.000 -1.190) 1.281 6.938 ( -8.117 0.000 4.807) 9.434 7.111 ( -0.584 0.000 -3.519) 3.567 7.650 ( -1.170 0.000 -0.106) 1.175 7.909 ( 13.867 0.000 4.162) 14.478 8.127 ( -1.487 0.000 -0.498) 1.568 8.364 ( -9.021 0.000 -1.536) 9.151 8.552 ( -0.138 0.000 -2.959) 2.962 8.663 ( -1.146 0.000 2.739) 2.969 8.911 ( 8.960 0.000 2.447) 9.288 8.940 ( 1.004 0.000 0.117) 1.011 9.074 ( 3.351 0.000 0.920) 3.475 9.131 ( 0.309 0.000 -0.299) 0.430 13.358 ( -0.595 0.000 3.983) 4.027 13.689 ( -4.378 0.000 -3.561) 5.643 14.470 ( -0.449 0.000 1.816) 1.871 14.518 ( 1.740 0.000 -1.464) 2.274 14.627 ( 1.162 0.000 4.528) 4.675 15.133 ( 3.935 0.000 -10.592) 11.299 15.446 ( -4.670 0.000 6.864) 8.302 16.030 ( -0.451 0.000 0.058) 0.454 18.944 ( 0.871 0.000 -0.522) 1.015 19.128 ( -4.357 0.000 -3.962) 5.889 19.737 ( -4.066 0.000 -3.147) 5.142 19.947 ( -6.555 0.000 -11.277) 13.044 19.966 ( -16.711 0.000 15.282) 22.645 20.800 ( 5.995 0.000 9.555) 11.280 21.247 ( -1.688 0.000 8.965) 9.122 21.445 ( 8.845 0.000 -15.888) 18.184 23.496 ( 2.349 0.000 2.295) 3.284 23.807 ( -1.034 0.000 -2.473) 2.681 23.983 ( -2.208 0.000 -0.915) 2.390 24.180 ( -1.286 0.000 -2.063) 2.431 ======================= Grid point 68 (25/129) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 10.527 0.000 -8.194) 13.341 0.931 ( 4.535 0.000 3.173) 5.535 1.137 ( 0.437 0.000 -1.491) 1.554 1.144 ( 0.041 0.000 4.280) 4.280 1.167 ( -1.640 0.000 0.839) 1.842 1.259 ( 6.047 0.000 2.475) 6.534 1.415 ( 3.949 0.000 7.282) 8.284 1.474 ( 0.113 0.000 0.115) 0.161 1.604 ( 1.858 0.000 -3.676) 4.119 1.733 ( 3.673 0.000 0.972) 3.800 1.850 ( 8.417 0.000 -6.787) 10.813 2.037 ( -4.927 0.000 2.110) 5.360 2.393 ( 2.945 0.000 0.446) 2.979 2.511 ( -4.186 0.000 -6.082) 7.383 2.559 ( -4.808 0.000 1.912) 5.174 2.908 ( -1.898 0.000 8.370) 8.583 2.991 ( -7.447 0.000 2.572) 7.879 3.032 ( 6.843 0.000 0.852) 6.896 3.242 ( -7.298 0.000 -4.275) 8.458 3.333 ( 4.301 0.000 2.790) 5.127 3.522 ( -6.167 0.000 -9.256) 11.123 3.543 ( -2.130 0.000 -0.270) 2.147 3.714 ( -9.792 0.000 -3.985) 10.572 4.105 ( -6.264 0.000 1.570) 6.457 4.150 ( -1.550 0.000 0.350) 1.589 4.279 ( -5.616 0.000 1.377) 5.783 4.383 ( -0.457 0.000 -2.019) 2.070 4.504 ( -0.225 0.000 -1.211) 1.232 6.798 ( -8.596 0.000 4.946) 9.917 7.046 ( -4.269 0.000 -5.417) 6.897 7.633 ( -0.588 0.000 1.893) 1.982 8.069 ( 0.906 0.000 2.112) 2.298 8.212 ( -5.742 0.000 -1.555) 5.949 8.231 ( 11.746 0.000 0.212) 11.748 8.539 ( -0.286 0.000 -2.243) 2.261 8.643 ( -1.208 0.000 2.360) 2.651 8.952 ( 0.115 0.000 0.449) 0.463 9.081 ( 6.343 0.000 2.401) 6.782 9.135 ( 0.494 0.000 -0.972) 1.090 9.146 ( 4.184 0.000 0.579) 4.224 13.364 ( -0.515 0.000 3.551) 3.588 13.587 ( -4.354 0.000 -3.145) 5.371 14.458 ( -1.564 0.000 1.839) 2.414 14.555 ( 2.781 0.000 -2.558) 3.779 14.653 ( -0.390 0.000 4.075) 4.093 15.152 ( 2.817 0.000 -11.217) 11.565 15.403 ( -2.960 0.000 7.623) 8.177 16.016 ( -1.069 0.000 0.203) 1.088 18.960 ( 1.291 0.000 -2.160) 2.516 19.020 ( -5.072 0.000 -3.004) 5.895 19.641 ( -4.762 0.000 -3.498) 5.909 19.745 ( -12.617 0.000 13.059) 18.158 19.821 ( -0.526 0.000 -10.144) 10.157 20.995 ( 9.073 0.000 6.604) 11.222 21.225 ( -4.681 0.000 9.223) 10.343 21.498 ( 4.070 0.000 -12.076) 12.743 23.559 ( 3.023 0.000 2.258) 3.773 23.771 ( -1.496 0.000 -2.345) 2.781 23.934 ( -2.439 0.000 -0.784) 2.562 24.130 ( -2.850 0.000 -1.323) 3.142 ======================= Grid point 69 (26/129) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 8.375 0.000 -9.726) 12.835 0.949 ( -2.889 0.000 1.380) 3.201 1.123 ( -1.624 0.000 -2.113) 2.665 1.151 ( -0.678 0.000 3.400) 3.467 1.186 ( 2.206 0.000 1.255) 2.538 1.367 ( 3.818 0.000 1.383) 4.061 1.448 ( -1.519 0.000 0.141) 1.525 1.512 ( 3.346 0.000 3.549) 4.878 1.644 ( 2.830 0.000 -2.827) 3.999 1.813 ( 4.131 0.000 0.335) 4.144 1.958 ( 5.682 0.000 -5.703) 8.051 1.984 ( -1.220 0.000 2.825) 3.077 2.338 ( -8.788 0.000 -9.243) 12.754 2.458 ( -5.108 0.000 -2.412) 5.649 2.483 ( 5.563 0.000 -0.405) 5.578 2.925 ( -0.287 0.000 6.139) 6.145 2.936 ( -1.761 0.000 7.008) 7.226 3.107 ( -5.444 0.000 -1.006) 5.536 3.142 ( 2.587 0.000 -1.257) 2.877 3.329 ( -3.945 0.000 -6.443) 7.555 3.460 ( 4.665 0.000 1.829) 5.011 3.476 ( -6.064 0.000 -0.801) 6.117 3.537 ( -4.981 0.000 -0.999) 5.080 4.002 ( -5.756 0.000 3.316) 6.643 4.127 ( -1.067 0.000 0.720) 1.287 4.175 ( -5.280 0.000 0.138) 5.282 4.354 ( -1.849 0.000 -1.508) 2.386 4.489 ( -0.757 0.000 -1.094) 1.330 6.660 ( -7.565 0.000 3.699) 8.421 6.912 ( -6.235 0.000 -5.810) 8.522 7.647 ( 0.603 0.000 3.257) 3.313 8.104 ( 2.351 0.000 1.659) 2.878 8.132 ( -2.251 0.000 -0.322) 2.274 8.369 ( 1.056 0.000 -0.956) 1.425 8.515 ( -1.230 0.000 -1.485) 1.928 8.696 ( 6.531 0.000 1.805) 6.775 8.953 ( -0.045 0.000 -0.146) 0.152 9.141 ( 0.555 0.000 -0.841) 1.008 9.144 ( 0.562 0.000 0.043) 0.564 9.250 ( 5.013 0.000 0.971) 5.106 13.370 ( -0.441 0.000 2.547) 2.585 13.501 ( -3.209 0.000 -2.377) 3.994 14.431 ( -1.904 0.000 1.880) 2.676 14.596 ( 2.604 0.000 -2.056) 3.317 14.651 ( -1.367 0.000 3.055) 3.347 15.134 ( 0.614 0.000 -10.292) 10.310 15.406 ( -0.310 0.000 7.228) 7.235 15.993 ( -1.307 0.000 -0.096) 1.310 18.914 ( -4.530 0.000 -2.349) 5.103 18.974 ( 1.860 0.000 -4.840) 5.185 19.538 ( -3.264 0.000 -5.016) 5.985 19.597 ( -8.169 0.000 9.175) 12.284 19.829 ( 3.580 0.000 -2.313) 4.262 21.159 ( -6.122 0.000 8.411) 10.403 21.173 ( 5.982 0.000 4.318) 7.378 21.515 ( 3.328 0.000 -9.485) 10.052 23.629 ( 3.112 0.000 1.956) 3.676 23.733 ( -1.286 0.000 -1.863) 2.264 23.882 ( -2.593 0.000 -0.655) 2.674 24.067 ( -2.841 0.000 -1.502) 3.213 ======================= Grid point 70 (27/129) ======================= q-point: ( 0.42 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 6.345 0.000 -8.906) 10.936 0.877 ( -4.362 0.000 2.724) 5.142 1.065 ( -2.676 0.000 -6.164) 6.720 1.155 ( -0.663 0.000 3.590) 3.651 1.209 ( 0.474 0.000 -0.329) 0.577 1.410 ( 0.270 0.000 0.735) 0.783 1.453 ( 0.852 0.000 2.523) 2.663 1.569 ( 1.750 0.000 -0.180) 1.759 1.670 ( 1.045 0.000 -0.764) 1.294 1.885 ( 3.151 0.000 -2.409) 3.966 2.019 ( 3.193 0.000 -3.864) 5.013 2.023 ( 3.292 0.000 2.234) 3.979 2.146 ( -6.163 0.000 -7.316) 9.566 2.358 ( -2.980 0.000 -4.174) 5.129 2.563 ( 2.996 0.000 -5.275) 6.067 2.913 ( -3.000 0.000 -0.059) 3.000 2.925 ( -2.248 0.000 -0.913) 2.426 3.028 ( -3.610 0.000 5.568) 6.636 3.096 ( -0.736 0.000 -5.737) 5.784 3.354 ( 3.732 0.000 4.896) 6.156 3.370 ( -3.060 0.000 2.050) 3.683 3.496 ( -0.827 0.000 3.085) 3.194 3.556 ( 3.298 0.000 1.591) 3.662 3.918 ( -4.227 0.000 3.654) 5.587 4.085 ( -3.701 0.000 -1.363) 3.944 4.114 ( -0.620 0.000 0.349) 0.712 4.306 ( -2.034 0.000 -0.873) 2.214 4.470 ( -0.612 0.000 -0.898) 1.086 6.549 ( -5.108 0.000 1.883) 5.444 6.790 ( -3.335 0.000 -4.395) 5.517 7.677 ( 0.549 0.000 4.441) 4.475 8.112 ( -0.221 0.000 0.396) 0.454 8.175 ( 4.026 0.000 1.936) 4.467 8.315 ( -4.582 0.000 -1.092) 4.710 8.486 ( -1.021 0.000 -0.453) 1.117 8.844 ( 6.699 0.000 -0.868) 6.755 8.950 ( -0.042 0.000 -0.870) 0.871 9.120 ( -2.285 0.000 -2.793) 3.609 9.149 ( 0.534 0.000 -0.155) 0.556 9.325 ( 2.250 0.000 0.906) 2.426 13.368 ( -0.681 0.000 1.261) 1.433 13.448 ( -1.312 0.000 -1.493) 1.987 14.408 ( -1.396 0.000 2.185) 2.592 14.633 ( -1.628 0.000 1.965) 2.551 14.635 ( 2.177 0.000 -1.057) 2.419 15.095 ( 0.181 0.000 -9.076) 9.078 15.445 ( 0.746 0.000 6.754) 6.795 15.967 ( -1.092 0.000 -0.750) 1.325 18.829 ( -3.140 0.000 -2.730) 4.161 18.990 ( 2.623 0.000 -7.118) 7.586 19.482 ( -0.782 0.000 -2.381) 2.506 19.509 ( -4.804 0.000 6.377) 7.984 19.918 ( 4.911 0.000 4.112) 6.406 21.076 ( -5.898 0.000 6.852) 9.040 21.233 ( -0.480 0.000 -2.258) 2.309 21.562 ( 4.915 0.000 -4.226) 6.482 23.691 ( 2.341 0.000 1.279) 2.668 23.710 ( -0.335 0.000 -1.012) 1.066 23.830 ( -2.408 0.000 -0.545) 2.469 24.014 ( -1.751 0.000 -1.885) 2.573 ======================= Grid point 71 (28/129) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 1.110 0.000 4.464) 4.600 0.892 ( 4.704 0.000 -6.855) 8.314 0.968 ( -3.036 0.000 -10.048) 10.497 1.151 ( -1.604 0.000 3.523) 3.871 1.227 ( 1.254 0.000 1.226) 1.754 1.394 ( -1.674 0.000 -0.725) 1.824 1.472 ( 0.064 0.000 1.586) 1.587 1.575 ( -0.878 0.000 -1.816) 2.017 1.694 ( 1.352 0.000 0.936) 1.644 1.872 ( -2.578 0.000 -6.209) 6.723 1.968 ( -5.863 0.000 -3.296) 6.726 2.064 ( 2.872 0.000 -2.029) 3.517 2.175 ( 8.053 0.000 -5.608) 9.813 2.330 ( 1.338 0.000 1.063) 1.709 2.537 ( -1.115 0.000 -9.433) 9.499 2.857 ( -1.910 0.000 -2.852) 3.432 2.871 ( 0.440 0.000 -6.061) 6.077 2.988 ( -5.156 0.000 9.361) 10.687 3.087 ( 0.634 0.000 -3.776) 3.829 3.383 ( 2.415 0.000 3.958) 4.636 3.449 ( 3.103 0.000 6.176) 6.912 3.539 ( 2.971 0.000 7.248) 7.833 3.577 ( -1.573 0.000 2.309) 2.794 3.880 ( -1.639 0.000 2.811) 3.254 4.027 ( -1.001 0.000 -3.083) 3.241 4.104 ( -0.436 0.000 -0.371) 0.573 4.290 ( 0.864 0.000 -0.025) 0.864 4.461 ( 0.166 0.000 -0.770) 0.788 6.486 ( -1.922 0.000 0.093) 1.924 6.764 ( 2.557 0.000 -2.680) 3.704 7.706 ( -0.123 0.000 6.142) 6.143 8.114 ( 0.144 0.000 0.518) 0.537 8.214 ( -4.801 0.000 -1.201) 4.949 8.271 ( 4.622 0.000 2.122) 5.086 8.485 ( 0.964 0.000 0.639) 1.157 8.884 ( -2.891 0.000 -4.562) 5.401 8.940 ( -0.537 0.000 -1.616) 1.702 9.066 ( -0.130 0.000 -3.859) 3.862 9.161 ( 0.507 0.000 0.732) 0.891 9.342 ( -0.779 0.000 0.130) 0.790 13.354 ( -1.106 0.000 0.138) 1.115 13.439 ( 0.937 0.000 -0.714) 1.178 14.400 ( -0.414 0.000 2.368) 2.404 14.609 ( -1.499 0.000 0.858) 1.728 14.671 ( 1.752 0.000 0.396) 1.796 15.067 ( 1.041 0.000 -8.583) 8.646 15.490 ( 0.653 0.000 7.242) 7.272 15.946 ( -0.497 0.000 -1.559) 1.636 18.771 ( -1.210 0.000 -4.072) 4.248 19.009 ( 2.583 0.000 -7.338) 7.779 19.466 ( -2.394 0.000 4.683) 5.259 19.487 ( 1.705 0.000 0.898) 1.927 20.043 ( 4.684 0.000 9.327) 10.437 21.001 ( -4.379 0.000 4.520) 6.293 21.147 ( -5.295 0.000 -8.833) 10.299 21.648 ( 4.653 0.000 -0.056) 4.654 23.708 ( -1.430 0.000 0.005) 1.430 23.713 ( 0.921 0.000 -0.058) 0.922 23.806 ( 0.649 0.000 -0.003) 0.649 23.986 ( -0.092 0.000 -2.345) 2.347 ======================= Grid point 72 (29/129) ======================= q-point: (-0.42 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -1.103 0.000 -9.156) 9.222 0.937 ( 2.605 0.000 -5.941) 6.487 0.968 ( 6.077 0.000 2.910) 6.737 1.116 ( -3.776 0.000 2.919) 4.772 1.253 ( -0.031 0.000 2.286) 2.286 1.349 ( -2.125 0.000 -1.915) 2.861 1.473 ( -0.478 0.000 0.425) 0.640 1.502 ( -5.987 0.000 -2.657) 6.550 1.718 ( 0.534 0.000 0.415) 0.677 1.774 ( -3.405 0.000 -6.156) 7.035 1.874 ( -1.815 0.000 -2.014) 2.711 2.096 ( 1.164 0.000 -1.675) 2.040 2.226 ( 2.023 0.000 -13.838) 13.985 2.470 ( 10.352 0.000 7.611) 12.849 2.481 ( -0.572 0.000 -6.231) 6.258 2.782 ( -4.459 0.000 -4.673) 6.459 2.908 ( -6.539 0.000 7.567) 10.001 2.934 ( 7.730 0.000 -1.943) 7.970 3.066 ( -0.840 0.000 -4.824) 4.896 3.459 ( -3.572 0.000 -3.801) 5.216 3.476 ( 4.639 0.000 5.186) 6.958 3.614 ( 3.103 0.000 12.864) 13.233 3.664 ( 5.756 0.000 9.011) 10.693 3.863 ( -0.795 0.000 -0.663) 1.035 4.026 ( 2.578 0.000 -3.741) 4.543 4.097 ( 0.184 0.000 -0.958) 0.975 4.333 ( 3.137 0.000 0.055) 3.137 4.468 ( 0.845 0.000 -0.900) 1.235 6.477 ( 1.329 0.000 -1.456) 1.971 6.858 ( 7.825 0.000 -1.807) 8.031 7.718 ( -2.139 0.000 7.350) 7.655 8.125 ( -3.743 0.000 -0.878) 3.844 8.135 ( 2.104 0.000 1.587) 2.636 8.367 ( 4.146 0.000 1.734) 4.494 8.524 ( 2.440 0.000 1.261) 2.747 8.717 ( -9.953 0.000 -7.290) 12.338 8.913 ( -1.210 0.000 -2.602) 2.869 9.068 ( 0.951 0.000 -3.448) 3.576 9.172 ( 0.077 0.000 1.408) 1.410 9.292 ( -4.089 0.000 -1.417) 4.327 13.329 ( -1.290 0.000 -0.436) 1.362 13.477 ( 3.149 0.000 -0.140) 3.152 14.411 ( 0.353 0.000 2.073) 2.103 14.583 ( -1.332 0.000 -0.335) 1.374 14.709 ( 1.523 0.000 2.532) 2.955 15.058 ( 1.977 0.000 -8.494) 8.721 15.533 ( 0.160 0.000 8.245) 8.247 15.936 ( 0.315 0.000 -2.302) 2.324 18.748 ( 1.330 0.000 -5.973) 6.119 19.015 ( 1.063 0.000 -5.841) 5.937 19.452 ( -1.090 0.000 3.440) 3.608 19.559 ( 4.693 0.000 3.798) 6.037 20.173 ( 3.317 0.000 13.154) 13.566 20.951 ( -2.209 0.000 1.335) 2.581 20.965 ( -8.204 0.000 -13.292) 15.620 21.732 ( 3.602 0.000 1.909) 4.076 23.654 ( -3.444 0.000 -0.412) 3.469 23.742 ( 1.776 0.000 0.561) 1.862 23.839 ( 2.325 0.000 -0.071) 2.326 23.988 ( 1.434 0.000 -3.020) 3.343 ======================= Grid point 73 (30/129) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 1.208 0.000 -7.949) 8.040 0.908 ( -3.119 0.000 -10.383) 10.841 1.039 ( -5.102 0.000 3.622) 6.257 1.118 ( 7.157 0.000 4.973) 8.715 1.225 ( -3.641 0.000 1.451) 3.919 1.305 ( -1.386 0.000 -1.106) 1.773 1.340 ( -9.294 0.000 -0.189) 9.296 1.454 ( -1.432 0.000 -0.827) 1.653 1.704 ( -1.615 0.000 -4.302) 4.595 1.716 ( -0.624 0.000 -0.388) 0.735 1.892 ( 3.836 0.000 -0.429) 3.860 2.102 ( 0.160 0.000 0.144) 0.216 2.187 ( 1.134 0.000 -13.442) 13.489 2.460 ( -0.001 0.000 -1.383) 1.383 2.662 ( -4.835 0.000 -5.210) 7.108 2.726 ( 10.545 0.000 6.050) 12.158 2.822 ( -3.289 0.000 5.122) 6.087 3.015 ( -2.050 0.000 -5.361) 5.739 3.119 ( 10.654 0.000 0.214) 10.656 3.343 ( -5.774 0.000 -4.291) 7.194 3.594 ( 4.590 0.000 6.818) 8.219 3.730 ( 2.031 0.000 9.392) 9.609 3.823 ( 6.379 0.000 7.532) 9.870 3.852 ( 1.361 0.000 -4.669) 4.863 4.093 ( 5.926 0.000 -2.472) 6.421 4.111 ( 1.817 0.000 -0.677) 1.939 4.394 ( 2.942 0.000 -0.285) 2.956 4.481 ( 0.855 0.000 -1.383) 1.626 6.524 ( 4.551 0.000 -2.459) 5.173 7.026 ( 9.594 0.000 -1.231) 9.673 7.691 ( -3.547 0.000 7.101) 7.937 8.060 ( -2.949 0.000 -1.072) 3.138 8.219 ( 5.274 0.000 3.404) 6.277 8.397 ( -6.111 0.000 -0.052) 6.112 8.516 ( -2.463 0.000 -5.775) 6.278 8.578 ( 2.219 0.000 1.867) 2.900 8.870 ( -1.755 0.000 -4.090) 4.451 9.057 ( -0.657 0.000 -2.940) 3.013 9.171 ( -1.016 0.000 1.440) 1.762 9.179 ( -6.447 0.000 -2.615) 6.957 13.305 ( -0.956 0.000 -0.366) 1.024 13.555 ( 4.805 0.000 0.136) 4.807 14.428 ( 0.540 0.000 1.418) 1.517 14.554 ( -1.267 0.000 -1.440) 1.918 14.756 ( 1.634 0.000 5.617) 5.849 15.062 ( 2.423 0.000 -8.543) 8.880 15.570 ( -0.488 0.000 9.182) 9.195 15.938 ( 1.143 0.000 -2.797) 3.021 18.770 ( 4.273 0.000 -8.197) 9.244 18.997 ( -0.462 0.000 -4.007) 4.033 19.447 ( -0.987 0.000 1.942) 2.179 19.696 ( 6.797 0.000 6.788) 9.605 20.281 ( 1.173 0.000 14.777) 14.824 20.724 ( -9.691 0.000 -16.351) 19.007 20.928 ( -0.002 0.000 -2.209) 2.209 21.806 ( 3.022 0.000 3.213) 4.410 23.584 ( -3.535 0.000 -0.159) 3.538 23.781 ( 1.904 0.000 0.607) 1.999 23.887 ( 2.690 0.000 -0.246) 2.701 24.009 ( 2.194 0.000 -4.109) 4.659 ======================= Grid point 74 (31/129) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -10.848 0.000 -16.458) 19.711 0.789 ( -4.159 0.000 -2.987) 5.120 0.963 ( -6.097 0.000 7.736) 9.850 1.155 ( -2.028 0.000 -1.157) 2.334 1.158 ( -9.261 0.000 0.947) 9.309 1.278 ( 5.832 0.000 5.869) 8.274 1.300 ( 0.179 0.000 1.921) 1.929 1.420 ( -0.932 0.000 -1.651) 1.896 1.668 ( -0.514 0.000 -2.956) 3.000 1.692 ( -1.982 0.000 0.753) 2.120 1.999 ( 7.113 0.000 -0.650) 7.142 2.104 ( -1.225 0.000 4.385) 4.553 2.166 ( 2.712 0.000 -11.365) 11.684 2.471 ( 0.641 0.000 4.014) 4.065 2.582 ( 0.243 0.000 -7.529) 7.533 2.724 ( -4.651 0.000 5.766) 7.408 2.941 ( -3.129 0.000 -4.799) 5.730 3.014 ( 12.699 0.000 -0.016) 12.699 3.209 ( -5.985 0.000 -4.811) 7.679 3.313 ( 8.957 0.000 0.512) 8.971 3.707 ( 3.588 0.000 7.381) 8.207 3.751 ( -1.116 0.000 -1.411) 1.799 3.868 ( 1.362 0.000 -3.711) 3.953 3.960 ( 4.956 0.000 3.627) 6.141 4.164 ( 3.488 0.000 1.176) 3.681 4.227 ( 8.071 0.000 -0.297) 8.077 4.438 ( 1.829 0.000 -0.398) 1.871 4.485 ( 0.397 0.000 -2.103) 2.140 6.631 ( 7.723 0.000 -2.430) 8.096 7.179 ( 5.476 0.000 0.223) 5.481 7.680 ( 0.358 0.000 6.507) 6.517 7.958 ( -8.279 0.000 -3.998) 9.194 8.226 ( -5.879 0.000 0.387) 5.892 8.352 ( 6.420 0.000 3.760) 7.440 8.532 ( 2.239 0.000 -2.427) 3.302 8.624 ( 1.395 0.000 3.009) 3.317 8.806 ( -2.618 0.000 -6.474) 6.983 8.997 ( -6.105 0.000 -1.352) 6.253 9.057 ( -3.031 0.000 -3.093) 4.330 9.143 ( -2.407 0.000 0.823) 2.544 13.292 ( -0.252 0.000 0.170) 0.304 13.656 ( 5.446 0.000 0.045) 5.446 14.442 ( 0.380 0.000 0.934) 1.008 14.522 ( -1.211 0.000 -2.087) 2.413 14.828 ( 2.503 0.000 10.046) 10.353 15.071 ( 2.450 0.000 -8.569) 8.913 15.596 ( -1.251 0.000 9.612) 9.693 15.953 ( 1.745 0.000 -2.929) 3.410 18.833 ( 6.372 0.000 -11.122) 12.818 18.968 ( -0.943 0.000 -2.475) 2.649 19.425 ( -1.835 0.000 -0.027) 1.835 19.865 ( 6.520 0.000 9.393) 11.434 20.345 ( -1.108 0.000 13.219) 13.265 20.456 ( -9.810 0.000 -17.693) 20.231 20.931 ( 1.868 0.000 -4.669) 5.029 21.879 ( 2.889 0.000 4.001) 4.935 23.520 ( -3.109 0.000 0.365) 3.130 23.816 ( 1.493 0.000 0.184) 1.504 23.940 ( 2.894 0.000 -0.148) 2.898 24.027 ( 1.790 0.000 -5.851) 6.119 ======================= Grid point 75 (32/129) ======================= q-point: (-0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( -14.161 0.000 -17.211) 22.288 0.617 ( -12.421 0.000 1.039) 12.464 0.830 ( -13.455 0.000 13.424) 19.007 1.029 ( -3.368 0.000 -0.711) 3.443 1.149 ( 1.592 0.000 -2.234) 2.743 1.316 ( 0.119 0.000 2.716) 2.718 1.330 ( -2.096 0.000 2.855) 3.542 1.459 ( 4.547 0.000 -1.196) 4.701 1.655 ( -2.231 0.000 3.061) 3.788 1.655 ( 0.430 0.000 -2.926) 2.958 2.108 ( -0.585 0.000 10.326) 10.343 2.137 ( 7.312 0.000 -4.890) 8.797 2.198 ( 4.938 0.000 -3.253) 5.913 2.493 ( -0.348 0.000 0.540) 0.643 2.630 ( 6.953 0.000 -2.626) 7.432 2.671 ( -3.224 0.000 4.173) 5.273 2.857 ( -3.396 0.000 -4.070) 5.301 3.070 ( -6.164 0.000 -5.470) 8.241 3.224 ( 9.790 0.000 -3.597) 10.430 3.462 ( 6.336 0.000 0.033) 6.336 3.680 ( -3.535 0.000 -13.471) 13.927 3.790 ( 1.614 0.000 5.981) 6.195 3.863 ( -0.682 0.000 1.447) 1.599 4.041 ( 2.877 0.000 -0.385) 2.902 4.241 ( 3.136 0.000 2.745) 4.168 4.374 ( 6.798 0.000 -0.349) 6.807 4.458 ( 0.480 0.000 -0.650) 0.808 4.478 ( 0.087 0.000 -2.780) 2.782 6.795 ( 10.021 0.000 -1.406) 10.119 7.220 ( -1.099 0.000 1.784) 2.096 7.727 ( -11.865 0.000 -4.117) 12.559 7.782 ( 6.563 0.000 6.517) 9.249 8.196 ( 0.462 0.000 2.606) 2.647 8.482 ( 5.346 0.000 1.538) 5.563 8.553 ( 1.084 0.000 -2.451) 2.680 8.652 ( -1.534 0.000 1.645) 2.249 8.717 ( -1.658 0.000 -5.245) 5.501 8.848 ( -7.736 0.000 -0.231) 7.740 9.013 ( -1.181 0.000 -1.733) 2.097 9.089 ( -3.197 0.000 0.046) 3.197 13.296 ( 0.360 0.000 0.890) 0.960 13.755 ( 4.749 0.000 -0.478) 4.773 14.452 ( 0.208 0.000 0.889) 0.913 14.493 ( -0.765 0.000 -1.829) 1.983 14.962 ( 6.105 0.000 15.975) 17.102 15.078 ( 2.339 0.000 -8.593) 8.906 15.607 ( -2.141 0.000 9.361) 9.603 15.977 ( 1.928 0.000 -2.659) 3.285 18.886 ( 4.050 0.000 -14.624) 15.175 18.943 ( -0.713 0.000 -1.265) 1.452 19.375 ( -2.942 0.000 -1.189) 3.173 20.006 ( 2.936 0.000 9.317) 9.769 20.205 ( -7.707 0.000 -15.837) 17.613 20.361 ( -2.345 0.000 9.552) 9.835 20.959 ( 3.379 0.000 -4.693) 5.783 21.951 ( 2.713 0.000 3.114) 4.130 23.470 ( -2.391 0.000 1.000) 2.591 23.839 ( 0.919 0.000 -0.411) 1.006 23.994 ( 2.582 0.000 -0.003) 2.582 24.012 ( -0.395 0.000 -8.432) 8.441 ======================= Grid point 76 (33/129) ======================= q-point: (-0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.130 ( 1.689 0.000 11.563) 11.685 0.373 ( -12.959 0.000 7.093) 14.773 0.595 ( -16.727 0.000 15.264) 22.645 0.999 ( -0.462 0.000 0.720) 0.856 1.171 ( 1.343 0.000 -1.983) 2.395 1.293 ( -2.152 0.000 1.229) 2.478 1.320 ( -0.841 0.000 1.741) 1.934 1.489 ( -0.185 0.000 -4.473) 4.477 1.648 ( 0.302 0.000 -4.710) 4.720 1.654 ( -0.036 0.000 5.126) 5.126 2.212 ( 4.402 0.000 -6.929) 8.209 2.221 ( 3.653 0.000 9.597) 10.269 2.330 ( 6.621 0.000 4.377) 7.937 2.485 ( 3.697 0.000 1.285) 3.914 2.635 ( -2.275 0.000 2.999) 3.765 2.692 ( -5.243 0.000 -12.926) 13.949 2.793 ( -0.727 0.000 -0.579) 0.930 2.967 ( 0.953 0.000 6.127) 6.201 3.356 ( 6.215 0.000 -5.679) 8.419 3.454 ( -12.665 0.000 -14.275) 19.084 3.556 ( 3.624 0.000 -0.694) 3.690 3.811 ( -1.608 0.000 2.543) 3.009 3.898 ( 3.682 0.000 7.812) 8.636 4.073 ( 1.131 0.000 -1.837) 2.158 4.291 ( 0.617 0.000 1.643) 1.755 4.450 ( -0.245 0.000 -1.498) 1.518 4.470 ( 0.612 0.000 -2.632) 2.703 4.472 ( 3.062 0.000 -1.311) 3.331 6.988 ( 9.782 0.000 -0.172) 9.783 7.187 ( -2.585 0.000 1.866) 3.188 7.513 ( -8.301 0.000 -1.344) 8.409 7.910 ( 0.553 0.000 -2.072) 2.144 8.227 ( 0.929 0.000 2.334) 2.512 8.498 ( -1.740 0.000 -7.066) 7.277 8.562 ( 1.065 0.000 -1.287) 1.671 8.613 ( 1.804 0.000 5.246) 5.548 8.721 ( -5.181 0.000 1.323) 5.347 8.783 ( 6.470 0.000 8.468) 10.657 8.990 ( -0.614 0.000 -0.804) 1.011 9.031 ( -2.433 0.000 -0.780) 2.555 13.311 ( 0.484 0.000 1.621) 1.691 13.823 ( 2.505 0.000 -1.530) 2.935 14.459 ( 0.117 0.000 1.108) 1.114 14.484 ( 0.528 0.000 -0.338) 0.627 15.084 ( 2.348 0.000 -8.774) 9.083 15.199 ( 7.757 0.000 6.201) 9.931 15.596 ( -3.142 0.000 8.544) 9.103 16.002 ( 1.745 0.000 -1.921) 2.595 18.905 ( 10.856 0.000 10.410) 15.040 18.930 ( -0.303 0.000 -0.386) 0.491 19.319 ( -2.057 0.000 -0.751) 2.190 20.039 ( -2.659 0.000 3.861) 4.689 20.062 ( -0.292 0.000 -9.283) 9.288 20.347 ( -3.211 0.000 6.737) 7.464 21.022 ( 4.720 0.000 -1.801) 5.052 21.973 ( -3.123 0.000 -5.424) 6.259 23.439 ( -1.404 0.000 1.576) 2.111 23.848 ( 0.329 0.000 -1.252) 1.295 23.923 ( -4.396 0.000 -7.102) 8.352 24.033 ( 1.441 0.000 -0.116) 1.446 ======================= Grid point 77 (34/129) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( -4.000 11.176 7.135) 13.850 0.475 ( 7.069 7.934 14.400) 17.896 0.796 ( 0.233 24.118 10.474) 26.295 0.960 ( 1.256 -4.847 2.612) 5.648 1.152 ( -1.997 -5.323 -1.324) 5.837 1.208 ( 0.423 -0.667 -2.088) 2.232 1.271 ( -0.594 -0.599 0.055) 0.846 1.413 ( 0.298 -6.803 -1.701) 7.018 1.542 ( -3.036 -8.978 3.050) 9.956 1.660 ( 0.191 6.374 -3.471) 7.260 1.910 ( -13.914 1.550 4.591) 14.734 2.190 ( 1.658 -7.981 -1.337) 8.260 2.424 ( 3.002 -0.281 5.251) 6.055 2.576 ( -2.523 5.545 -3.596) 7.074 2.672 ( -2.226 5.259 1.543) 5.915 2.717 ( 10.690 -6.588 3.034) 12.918 2.845 ( 6.342 -0.289 4.371) 7.708 3.038 ( -0.145 -0.770 6.269) 6.318 3.237 ( 5.450 -9.968 1.640) 11.478 3.457 ( -0.914 1.877 -4.109) 4.609 3.503 ( 2.974 -7.324 0.592) 7.927 3.758 ( 2.038 -2.312 2.626) 4.049 3.999 ( 2.348 1.200 5.826) 6.395 4.097 ( -1.047 1.943 -2.719) 3.502 4.264 ( -2.057 -1.508 -1.026) 2.748 4.410 ( -0.724 -3.774 -2.930) 4.833 4.460 ( 1.499 -1.025 -0.832) 1.998 4.482 ( 0.576 -0.643 -0.430) 0.964 7.059 ( -1.369 -0.246 1.443) 2.004 7.354 ( -5.927 5.785 -0.697) 8.312 7.487 ( 8.052 6.196 1.150) 10.225 7.741 ( -4.386 3.184 -0.393) 5.434 8.226 ( -1.937 -1.176 2.189) 3.151 8.458 ( 0.560 -5.371 -1.474) 5.598 8.600 ( 3.384 0.364 1.109) 3.580 8.650 ( 1.068 -0.251 1.189) 1.618 8.692 ( 1.046 1.772 2.040) 2.898 8.829 ( 0.359 -7.106 2.849) 7.664 8.942 ( 0.109 -4.271 -0.254) 4.280 8.993 ( 1.100 -2.482 -0.034) 2.715 13.365 ( 0.781 3.849 2.443) 4.625 13.909 ( 0.486 3.325 -6.192) 7.045 14.101 ( 0.838 -15.245 3.390) 15.640 14.500 ( -6.142 -12.508 2.097) 14.091 14.941 ( 0.104 19.871 1.741) 19.947 15.281 ( -5.208 5.767 -7.221) 10.608 15.558 ( -3.956 -0.210 6.113) 7.285 15.961 ( 0.983 -6.267 -0.970) 6.417 18.947 ( 0.113 3.012 -0.312) 3.030 19.259 ( -1.158 -3.210 -1.334) 3.664 19.887 ( 6.337 -2.045 -4.325) 7.940 20.021 ( 3.192 -4.512 -2.159) 5.934 20.389 ( -1.094 10.369 1.759) 10.574 20.554 ( 36.042 16.936 -9.745) 40.998 21.056 ( 3.832 -6.063 2.866) 7.724 21.258 ( -27.287 -14.753 9.723) 32.508 23.697 ( -6.143 11.969 -9.915) 16.713 23.847 ( 0.062 0.744 -2.527) 2.635 23.982 ( 10.458 -0.045 0.071) 10.458 24.036 ( 1.365 -0.904 -0.415) 1.689 ======================= Grid point 78 (35/129) ======================= q-point: ( 0.08 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 2.693 11.791 3.974) 12.731 0.688 ( 8.714 8.392 11.952) 17.007 0.939 ( 7.067 11.398 9.923) 16.683 1.011 ( 2.566 -4.134 3.983) 6.288 1.133 ( 0.696 -1.762 0.735) 2.032 1.211 ( 0.693 0.818 -1.341) 1.717 1.268 ( 0.413 -0.371 0.028) 0.556 1.411 ( 0.717 -4.147 -2.232) 4.764 1.490 ( -2.670 -9.107 1.966) 9.692 1.679 ( 3.799 6.303 -5.855) 9.404 1.783 ( -2.939 4.465 2.663) 5.972 2.184 ( -2.104 -5.348 0.040) 5.747 2.464 ( -1.253 2.115 1.256) 2.761 2.521 ( -1.500 -0.323 2.050) 2.561 2.639 ( -1.512 4.689 -0.265) 4.933 2.801 ( 2.698 -1.607 0.191) 3.146 2.984 ( -1.406 -2.421 7.699) 8.192 3.052 ( 3.673 -3.086 0.346) 4.810 3.321 ( -1.357 -8.235 -2.758) 8.789 3.422 ( -0.297 -3.597 -1.242) 3.817 3.571 ( 2.916 -0.938 -0.024) 3.063 3.769 ( -0.616 5.435 -4.010) 6.782 4.034 ( -4.286 0.927 -2.771) 5.187 4.111 ( 4.378 -10.539 5.313) 12.588 4.208 ( -2.599 -1.737 -1.524) 3.478 4.352 ( -3.709 -4.509 -4.213) 7.199 4.461 ( -1.276 0.450 0.411) 1.414 4.504 ( 1.647 -0.317 -0.418) 1.729 7.033 ( -2.213 0.341 1.436) 2.660 7.239 ( -5.332 6.269 0.708) 8.260 7.581 ( 2.327 -0.042 3.599) 4.286 7.769 ( 5.359 5.493 -1.634) 7.847 8.177 ( -3.254 -0.177 0.898) 3.380 8.454 ( -2.218 -5.754 -0.522) 6.189 8.626 ( -1.044 2.591 -0.479) 2.835 8.681 ( 0.129 2.725 1.344) 3.041 8.724 ( 4.408 -0.874 1.659) 4.790 8.857 ( 2.211 -5.640 0.648) 6.093 8.965 ( 2.544 -4.732 -0.414) 5.388 9.048 ( 3.036 -5.104 0.905) 6.008 13.385 ( -0.167 3.886 3.415) 5.176 13.864 ( -2.064 5.440 -5.908) 8.292 14.131 ( 0.413 -16.248 4.010) 16.741 14.436 ( -0.691 -6.177 0.048) 6.216 14.949 ( -0.239 19.676 2.345) 19.817 15.195 ( 0.131 6.424 -7.544) 9.910 15.503 ( -4.405 -0.146 5.258) 6.861 15.971 ( 0.363 -6.242 -0.254) 6.257 18.939 ( -0.584 1.686 0.317) 1.813 19.202 ( -3.453 -2.302 -2.904) 5.065 19.831 ( -4.616 -0.813 -4.457) 6.468 19.963 ( -7.917 -7.523 -1.102) 10.977 20.377 ( -3.288 12.736 1.618) 13.253 20.849 ( -14.237 1.978 13.723) 19.873 21.084 ( 10.038 -6.984 -4.394) 12.994 21.206 ( 15.894 -5.052 -4.447) 17.261 23.568 ( -3.316 8.438 -1.717) 9.227 23.823 ( -1.189 -0.984 -2.492) 2.932 24.021 ( -0.581 0.186 -0.548) 0.820 24.147 ( 4.362 -2.449 -3.026) 5.847 ======================= Grid point 79 (36/129) ======================= q-point: ( 0.17 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 7.699 9.036 -2.094) 12.055 0.903 ( 8.537 9.034 7.623) 14.581 1.048 ( 1.308 -4.233 2.351) 5.016 1.097 ( 4.035 -2.567 3.600) 5.986 1.183 ( 2.097 3.622 2.116) 4.689 1.227 ( 0.977 3.657 0.760) 3.861 1.313 ( 4.107 2.408 4.930) 6.854 1.423 ( 0.859 -3.418 0.147) 3.528 1.478 ( 1.517 -7.888 -0.481) 8.047 1.751 ( 6.577 4.120 -6.444) 10.088 1.768 ( 0.120 4.577 0.041) 4.578 2.118 ( -4.583 -2.461 1.342) 5.372 2.423 ( -1.432 4.495 -1.645) 4.996 2.518 ( -1.573 -6.928 4.956) 8.662 2.604 ( -1.947 3.040 -2.159) 4.206 2.843 ( -0.253 -5.833 5.272) 7.867 2.972 ( -1.258 2.156 2.898) 3.825 3.090 ( 0.049 -5.978 -2.112) 6.341 3.230 ( -4.920 -2.222 -1.912) 5.728 3.407 ( -0.304 1.604 0.088) 1.635 3.607 ( 0.923 2.674 -0.593) 2.891 3.709 ( -3.453 5.725 -5.993) 8.979 3.904 ( -7.660 0.316 -3.533) 8.441 4.124 ( -3.815 -5.847 1.304) 7.102 4.187 ( -1.234 -4.221 0.684) 4.451 4.254 ( -3.363 -6.869 -2.317) 7.991 4.428 ( -2.002 1.885 -0.153) 2.754 4.524 ( 0.497 0.297 -0.585) 0.823 6.972 ( -5.445 3.480 3.390) 7.297 7.167 ( -2.323 4.612 -1.582) 5.401 7.614 ( -0.707 -2.597 2.052) 3.385 7.877 ( 5.106 -4.002 1.297) 6.616 8.147 ( 1.213 2.940 -0.592) 3.235 8.351 ( -6.815 -2.008 -0.275) 7.110 8.603 ( -0.278 4.501 -1.877) 4.884 8.699 ( 0.275 4.113 1.548) 4.403 8.843 ( 5.895 -4.289 1.627) 7.470 8.908 ( 2.978 -3.679 1.412) 4.940 9.028 ( 3.849 -4.311 -0.291) 5.786 9.104 ( 2.748 -3.180 0.419) 4.223 13.391 ( -0.812 3.854 3.821) 5.487 13.788 ( -3.145 8.018 -4.923) 9.921 14.150 ( -0.431 -17.397 4.060) 17.870 14.449 ( 1.953 -6.265 -2.677) 7.088 14.950 ( -0.608 17.122 1.530) 17.201 15.197 ( 2.830 5.870 -6.559) 9.246 15.442 ( -4.171 0.283 4.983) 6.504 15.971 ( -0.382 -6.057 0.260) 6.074 18.932 ( -0.120 -0.348 -0.325) 0.491 19.107 ( -4.844 -2.431 -3.020) 6.205 19.727 ( -4.146 -1.004 -3.102) 5.274 19.775 ( -9.597 -6.028 -1.156) 11.391 20.226 ( -11.151 14.671 3.887) 18.834 20.835 ( 3.216 1.664 8.345) 9.097 21.157 ( 1.665 -5.538 2.969) 6.500 21.430 ( 9.267 -2.992 -8.686) 13.049 23.545 ( 0.532 4.373 1.046) 4.528 23.786 ( -1.417 -2.164 -2.070) 3.313 23.996 ( -1.671 1.576 -0.978) 2.496 24.162 ( -0.904 -1.878 -1.907) 2.825 ======================= Grid point 80 (37/129) ======================= q-point: ( 0.25 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 8.227 5.492 -6.675) 11.934 1.044 ( 1.032 2.331 0.878) 2.696 1.072 ( 2.770 1.564 1.620) 3.570 1.162 ( 1.395 0.437 3.460) 3.757 1.222 ( 1.706 4.442 0.836) 4.831 1.273 ( 3.957 1.073 2.095) 4.604 1.433 ( 3.653 3.847 6.046) 8.044 1.434 ( 0.815 -4.623 0.337) 4.706 1.538 ( 4.406 -4.462 -1.187) 6.383 1.773 ( 0.423 3.368 -0.594) 3.446 1.860 ( 6.830 1.281 -5.881) 9.103 2.041 ( -3.819 -0.403 2.637) 4.658 2.416 ( 0.974 1.179 -0.008) 1.529 2.493 ( -2.797 -5.173 0.741) 5.927 2.524 ( -4.445 0.927 -5.658) 7.254 2.843 ( -2.112 -7.807 7.920) 11.319 2.931 ( -3.540 -1.422 2.676) 4.660 3.075 ( -1.100 -5.058 -2.883) 5.925 3.172 ( 0.816 4.634 0.165) 4.708 3.431 ( 1.956 3.886 1.827) 4.719 3.567 ( -6.868 5.027 -8.892) 12.309 3.605 ( -1.640 5.060 -0.695) 5.364 3.722 ( -9.022 1.266 -3.324) 9.698 4.042 ( -5.242 -5.356 2.724) 7.974 4.124 ( -3.621 -2.789 0.152) 4.573 4.210 ( -2.528 -7.132 0.480) 7.582 4.392 ( -1.349 2.029 -1.110) 2.678 4.517 ( -0.794 0.263 -0.906) 1.233 6.862 ( -7.427 6.326 4.350) 10.682 7.109 ( -2.760 5.542 -5.046) 7.987 7.589 ( -2.328 -3.777 3.146) 5.439 7.944 ( 1.686 -10.309 0.820) 10.478 8.197 ( -0.856 0.612 -0.045) 1.053 8.267 ( 2.194 -0.178 -0.203) 2.210 8.587 ( -0.728 4.286 -1.156) 4.498 8.708 ( 0.509 6.068 0.792) 6.141 8.908 ( 1.284 -3.547 0.240) 3.780 9.005 ( 4.775 -4.933 2.052) 7.166 9.093 ( 2.880 -3.474 -0.563) 4.548 9.174 ( 4.376 -0.333 0.725) 4.448 13.389 ( -1.043 3.558 3.449) 5.064 13.707 ( -2.988 10.156 -4.114) 11.358 14.151 ( -1.273 -17.916 3.867) 18.373 14.473 ( 1.952 -7.834 -3.631) 8.852 14.940 ( -0.962 15.466 0.712) 15.513 15.226 ( 2.726 6.596 -6.325) 9.536 15.395 ( -2.969 0.229 5.661) 6.397 15.959 ( -1.015 -5.849 0.388) 5.949 18.931 ( 0.622 -2.115 -2.340) 3.214 18.997 ( -5.008 -2.275 -2.656) 6.109 19.611 ( -6.242 -2.950 -2.387) 7.305 19.647 ( -3.960 -2.160 0.966) 4.613 20.056 ( -6.928 15.345 0.912) 16.861 20.916 ( -0.046 -9.231 7.502) 11.895 21.225 ( 4.599 2.804 3.063) 6.196 21.516 ( 4.058 0.058 -7.080) 8.161 23.581 ( 2.311 2.196 1.763) 3.643 23.754 ( -1.038 -1.806 -1.603) 2.628 23.950 ( -2.548 1.787 -1.178) 3.328 24.115 ( -2.859 -1.615 -1.547) 3.629 ======================= Grid point 81 (38/129) ======================= q-point: ( 0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 6.512 2.758 -9.177) 11.585 1.036 ( -0.558 1.168 -0.375) 1.348 1.094 ( -0.209 2.478 -0.264) 2.500 1.181 ( -1.318 3.169 0.150) 3.436 1.279 ( 2.575 7.399 2.105) 8.112 1.364 ( 3.857 -0.055 1.934) 4.315 1.421 ( -0.894 -1.497 0.653) 1.862 1.521 ( 2.069 0.091 2.795) 3.478 1.619 ( 4.509 -2.521 -1.918) 5.510 1.783 ( 0.859 -0.237 0.978) 1.323 1.928 ( 2.149 -2.521 -5.437) 6.366 2.019 ( 0.886 1.712 2.744) 3.353 2.346 ( -7.789 0.412 -6.988) 10.473 2.400 ( -2.986 -4.468 -1.998) 5.733 2.518 ( 3.953 2.402 -1.935) 5.014 2.839 ( -1.613 -9.114 4.282) 10.198 2.914 ( -0.448 -0.854 6.510) 6.581 3.033 ( -0.918 -2.691 -1.739) 3.334 3.226 ( 2.463 4.410 0.603) 5.087 3.357 ( -7.533 1.462 -8.701) 11.601 3.476 ( -2.616 1.959 1.526) 3.607 3.546 ( -2.505 6.227 1.645) 6.910 3.594 ( -1.898 5.555 -1.390) 6.032 3.956 ( -5.094 -4.354 3.731) 7.670 4.069 ( -2.325 -4.460 0.801) 5.093 4.152 ( -3.280 -3.824 -0.099) 5.039 4.361 ( -1.505 1.511 -1.164) 2.429 4.489 ( -1.461 -0.424 -1.081) 1.866 6.737 ( -7.119 7.708 3.427) 11.038 7.013 ( -4.017 9.305 -6.376) 11.973 7.569 ( -1.604 -7.084 4.566) 8.579 7.974 ( 1.639 -9.980 -0.202) 10.116 8.159 ( -1.352 0.346 2.195) 2.601 8.325 ( 0.554 -4.453 -0.463) 4.511 8.574 ( 0.370 5.690 -2.114) 6.082 8.741 ( 2.791 3.697 0.935) 4.726 8.920 ( 0.181 -3.113 -0.881) 3.240 9.077 ( 2.242 -4.097 0.599) 4.709 9.140 ( 2.202 -0.839 0.009) 2.356 9.262 ( 3.954 -0.030 0.438) 3.979 13.382 ( -1.176 3.189 2.572) 4.262 13.642 ( -1.910 11.640 -3.305) 12.250 14.138 ( -1.759 -17.912 3.540) 18.343 14.490 ( 1.572 -9.751 -3.543) 10.494 14.922 ( -1.081 15.240 0.514) 15.287 15.232 ( 0.906 8.765 -6.333) 10.851 15.387 ( -0.572 -1.285 6.218) 6.375 15.937 ( -1.293 -5.712 0.059) 5.857 18.898 ( -3.875 -1.429 -2.750) 4.962 18.935 ( 1.544 -3.259 -4.980) 6.148 19.513 ( -3.225 -1.112 -1.400) 3.687 19.579 ( -4.297 -1.242 3.587) 5.734 19.983 ( -1.004 12.860 0.571) 12.912 20.900 ( -4.134 -15.334 6.141) 17.027 21.345 ( 5.202 7.349 3.544) 9.677 21.541 ( 2.313 1.719 -6.727) 7.318 23.641 ( 2.890 1.245 1.717) 3.585 23.733 ( -0.476 -0.309 -1.210) 1.337 23.891 ( -2.967 1.129 -1.071) 3.350 24.048 ( -3.122 -1.949 -1.680) 4.045 ======================= Grid point 82 (39/129) ======================= q-point: ( 0.42 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 4.351 1.166 -8.434) 9.561 1.030 ( 0.096 8.334 -0.425) 8.345 1.081 ( -1.228 1.792 -4.329) 4.843 1.130 ( -1.798 1.010 -0.522) 2.127 1.309 ( 0.273 7.631 1.904) 7.869 1.403 ( -0.233 -0.710 0.050) 0.749 1.450 ( 2.130 0.381 2.493) 3.301 1.529 ( -1.143 -2.757 -0.242) 2.994 1.683 ( 2.772 -0.697 -1.622) 3.286 1.822 ( 2.157 -4.029 -0.657) 4.617 1.905 ( -1.345 -5.887 -2.662) 6.600 2.077 ( 2.951 -0.454 1.245) 3.235 2.199 ( -3.891 4.862 -4.612) 7.749 2.333 ( -1.491 -1.932 -4.330) 4.970 2.570 ( 1.721 0.261 -5.761) 6.018 2.799 ( -2.991 -8.397 -1.726) 9.079 2.940 ( -0.055 0.786 3.188) 3.284 3.027 ( 0.248 1.141 -0.941) 1.500 3.186 ( -2.806 5.048 -3.043) 6.528 3.304 ( 2.010 -2.729 3.637) 4.972 3.413 ( -2.668 2.753 4.078) 5.597 3.537 ( -1.234 3.518 3.265) 4.956 3.595 ( 0.852 3.587 0.297) 3.698 3.891 ( -3.041 -2.570 3.782) 5.491 4.036 ( -1.562 -3.750 -0.184) 4.067 4.097 ( -2.026 -2.465 -0.254) 3.201 4.325 ( -1.510 1.847 -0.897) 2.549 4.459 ( -0.946 -1.151 -1.018) 1.804 6.631 ( -4.921 8.360 1.901) 9.885 6.924 ( -1.834 12.491 -5.513) 13.776 7.566 ( -1.139 -10.113 5.622) 11.626 8.009 ( 2.028 -9.225 -0.292) 9.450 8.167 ( 0.749 -0.998 2.502) 2.796 8.282 ( -4.049 -3.735 0.114) 5.510 8.579 ( 1.090 7.993 -1.900) 8.288 8.814 ( 3.905 -1.825 0.155) 4.313 8.903 ( -1.345 -4.048 -2.250) 4.822 9.108 ( 1.066 -3.762 -0.112) 3.912 9.166 ( 0.411 3.600 -1.226) 3.825 9.319 ( 1.842 -0.772 0.152) 2.003 13.368 ( -1.172 3.013 1.626) 3.619 13.605 ( -0.470 12.366 -2.668) 12.659 14.119 ( -1.707 -17.829 3.141) 18.184 14.504 ( 1.470 -11.454 -2.910) 11.908 14.906 ( -0.794 15.953 0.770) 15.991 15.211 ( 0.005 9.947 -5.720) 11.474 15.420 ( 0.817 -2.132 6.068) 6.483 15.912 ( -1.116 -5.665 -0.633) 5.808 18.825 ( -2.297 -0.181 -3.311) 4.034 18.947 ( 2.525 -3.729 -6.928) 8.263 19.470 ( -1.332 -0.134 1.171) 1.778 19.520 ( -3.263 0.176 3.540) 4.817 20.012 ( 2.567 8.863 3.877) 10.009 20.835 ( -4.736 -16.035 4.213) 17.243 21.408 ( -0.381 9.385 0.084) 9.394 21.573 ( 4.099 0.960 -3.920) 5.752 23.700 ( 2.225 0.956 1.050) 2.640 23.727 ( 0.521 1.422 -0.649) 1.647 23.830 ( -2.856 0.190 -0.787) 2.968 23.988 ( -1.997 -2.521 -1.869) 3.720 ======================= Grid point 83 (40/129) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 5.114 2.007 -4.794) 7.292 1.002 ( -2.248 3.463 -7.681) 8.720 1.034 ( 0.127 10.256 -2.078) 10.465 1.127 ( -0.210 -0.595 1.412) 1.547 1.327 ( 0.511 6.547 2.868) 7.166 1.384 ( -1.109 -0.609 -1.091) 1.671 1.445 ( -2.044 -0.930 -1.111) 2.505 1.533 ( 0.606 -3.618 0.056) 3.669 1.708 ( 0.324 -0.102 -1.114) 1.164 1.765 ( -4.159 -6.241 -5.620) 9.372 1.943 ( 3.345 -4.950 1.079) 6.070 2.066 ( -2.609 -1.075 -2.552) 3.805 2.202 ( 4.407 3.348 -5.483) 7.790 2.326 ( 2.068 0.149 1.014) 2.308 2.519 ( -2.185 -1.751 -9.496) 9.900 2.744 ( -0.985 -6.906 -2.472) 7.401 2.935 ( -0.266 2.787 -2.388) 3.680 3.011 ( -2.540 2.570 1.805) 4.039 3.166 ( 0.137 5.765 -1.217) 5.894 3.397 ( 4.495 0.528 5.927) 7.457 3.417 ( 1.505 -1.703 3.523) 4.193 3.535 ( -1.038 -0.421 7.747) 7.828 3.614 ( 1.279 3.206 2.125) 4.053 3.866 ( -1.663 -1.674 2.356) 3.334 4.001 ( -1.379 -2.060 -2.176) 3.299 4.082 ( 0.328 -2.173 0.305) 2.219 4.310 ( 0.584 1.904 -0.552) 2.066 4.447 ( 0.187 -1.420 -0.932) 1.709 6.573 ( -1.634 8.923 0.434) 9.082 6.910 ( 2.836 13.587 -4.138) 14.484 7.575 ( -0.836 -11.842 6.933) 13.747 8.041 ( 1.190 -7.705 0.196) 7.798 8.193 ( -3.849 -2.833 1.689) 5.069 8.205 ( 1.186 -3.839 -0.127) 4.020 8.605 ( 2.256 9.398 -0.279) 9.669 8.836 ( -3.600 -3.399 -3.661) 6.157 8.881 ( 2.089 -4.338 -0.847) 4.888 9.112 ( -0.911 -1.468 -1.282) 2.151 9.151 ( -0.345 3.171 -1.646) 3.589 9.331 ( -0.696 -1.257 -0.563) 1.543 13.353 ( -1.004 2.939 0.875) 3.227 13.600 ( 1.026 12.647 -2.218) 12.880 14.103 ( -1.299 -18.074 2.597) 18.305 14.523 ( 1.633 -12.524 -2.033) 12.793 14.900 ( -0.292 17.144 1.008) 17.176 15.188 ( 0.264 9.759 -5.254) 11.087 15.467 ( 1.025 -2.062 6.515) 6.910 15.891 ( -0.553 -5.686 -1.477) 5.901 18.780 ( -0.606 1.000 -4.414) 4.567 18.967 ( 2.565 -3.843 -6.986) 8.375 19.464 ( -0.973 0.314 4.326) 4.445 19.498 ( 0.201 0.499 2.016) 2.087 20.100 ( 3.529 5.669 8.054) 10.462 20.763 ( -3.916 -15.034 1.324) 15.592 21.346 ( -4.229 11.138 -4.585) 12.766 21.644 ( 3.730 -0.590 -0.527) 3.813 23.717 ( -0.659 1.005 0.044) 1.203 23.740 ( -0.220 2.437 -0.392) 2.478 23.799 ( 0.991 -0.678 0.042) 1.202 23.960 ( 0.069 -2.595 -2.114) 3.348 ======================= Grid point 84 (41/129) ======================= q-point: (-0.42 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -0.231 5.046 -9.281) 10.567 0.948 ( 4.095 2.485 -3.925) 6.192 1.024 ( 0.059 5.179 0.165) 5.182 1.114 ( -1.799 1.015 1.084) 2.332 1.318 ( -2.064 -0.213 -0.873) 2.251 1.382 ( 0.346 2.881 0.173) 2.907 1.407 ( -2.341 1.370 1.165) 2.952 1.471 ( -5.191 -6.245 -5.269) 9.680 1.681 ( -1.716 0.709 -1.551) 2.420 1.724 ( 1.420 -4.222 -0.771) 4.521 1.945 ( -2.060 1.956 -2.588) 3.843 2.054 ( 1.711 -3.382 -0.831) 3.880 2.216 ( 1.365 -0.636 -12.008) 12.102 2.423 ( 2.188 -4.278 -2.132) 5.257 2.470 ( 4.826 -0.063 1.923) 5.196 2.729 ( -1.348 -4.411 -0.561) 4.647 2.920 ( -3.128 1.158 3.156) 4.592 2.968 ( 2.046 2.771 -2.483) 4.246 3.147 ( -0.999 6.639 -3.673) 7.653 3.424 ( -0.987 -1.935 -1.302) 2.532 3.527 ( 4.593 2.833 4.009) 6.723 3.612 ( 3.992 0.031 11.957) 12.605 3.683 ( 4.480 1.837 6.821) 8.365 3.841 ( -1.195 -1.960 -0.240) 2.308 3.981 ( 0.899 -3.117 -2.461) 4.072 4.097 ( 1.106 -1.129 -0.610) 1.694 4.340 ( 2.449 0.964 -0.446) 2.670 4.457 ( 1.136 -1.257 -1.097) 2.018 6.572 ( 1.587 9.579 -0.926) 9.754 6.993 ( 7.195 12.659 -3.168) 14.901 7.589 ( -1.575 -11.915 7.954) 14.412 8.060 ( 0.431 -7.568 1.605) 7.748 8.110 ( -3.530 -1.213 -0.510) 3.767 8.258 ( 3.030 -7.671 0.191) 8.250 8.657 ( 2.458 9.459 1.170) 9.843 8.717 ( -5.910 0.289 -5.497) 8.077 8.898 ( 0.033 -2.851 -1.325) 3.144 9.063 ( -2.443 0.691 -3.021) 3.946 9.150 ( -0.013 -1.632 0.475) 1.699 9.283 ( -3.580 -1.300 -2.014) 4.308 13.338 ( -0.852 2.996 0.310) 3.130 13.626 ( 2.689 12.459 -1.724) 12.862 14.092 ( -0.886 -18.651 1.834) 18.762 14.548 ( 1.714 -13.045 -1.116) 13.205 14.903 ( 0.093 18.423 0.830) 18.442 15.177 ( 0.908 8.941 -4.363) 9.990 15.516 ( 0.724 -1.543 7.342) 7.537 15.879 ( 0.240 -5.754 -2.245) 6.181 18.764 ( 1.425 1.606 -5.854) 6.236 18.976 ( 1.225 -3.672 -5.582) 6.792 19.466 ( -0.604 1.268 3.569) 3.836 19.552 ( 3.866 -0.711 3.716) 5.410 20.209 ( 2.955 3.615 11.362) 12.284 20.695 ( -2.861 -12.664 -3.016) 13.329 21.222 ( -5.720 12.817 -6.390) 15.421 21.703 ( 2.366 -3.005 0.809) 3.909 23.669 ( -3.206 1.482 -0.308) 3.545 23.748 ( 0.851 0.346 0.438) 1.017 23.842 ( 2.820 0.502 -0.267) 2.877 23.970 ( 1.929 -1.793 -2.692) 3.766 ======================= Grid point 85 (42/129) ======================= q-point: (-0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -3.313 4.929 -8.199) 10.124 0.933 ( 0.212 2.364 -7.127) 7.512 1.016 ( -3.892 -0.261 0.621) 3.950 1.129 ( 3.737 0.769 3.393) 5.105 1.266 ( -4.604 -0.140 -2.729) 5.354 1.289 ( -4.631 -3.725 -1.189) 6.061 1.358 ( -2.310 1.458 -1.280) 3.016 1.418 ( -1.916 2.661 2.169) 3.932 1.628 ( -2.602 -2.436 -1.848) 4.015 1.780 ( 3.197 0.069 0.591) 3.251 1.907 ( 0.232 2.051 -2.849) 3.518 2.078 ( 0.582 -1.873 0.569) 2.042 2.183 ( 1.339 -0.453 -11.278) 11.366 2.409 ( 0.997 -5.481 -4.319) 7.049 2.590 ( -1.358 -3.271 1.616) 3.893 2.744 ( 6.941 -0.882 2.133) 7.315 2.846 ( -3.860 2.734 4.674) 6.650 3.075 ( 3.271 2.638 -3.260) 5.319 3.116 ( 3.392 2.207 -1.426) 4.291 3.370 ( -3.264 1.580 -2.653) 4.493 3.596 ( 1.409 0.488 2.296) 2.738 3.748 ( 4.414 1.694 8.798) 9.988 3.815 ( 2.210 -2.878 -1.854) 4.075 3.846 ( 4.773 2.196 6.611) 8.444 4.028 ( 5.153 -4.463 -1.189) 6.920 4.121 ( 2.076 -1.169 -0.935) 2.560 4.386 ( 2.310 -0.090 -0.526) 2.371 4.475 ( 1.277 -0.856 -1.647) 2.253 6.624 ( 4.504 9.957 -1.796) 11.075 7.139 ( 8.625 10.826 -2.129) 14.005 7.578 ( -3.042 -10.915 7.565) 13.624 8.014 ( -4.372 -6.065 -0.076) 7.477 8.125 ( 3.489 -4.933 0.635) 6.075 8.304 ( 1.107 -7.550 0.434) 7.643 8.577 ( -4.508 5.617 -4.192) 8.334 8.711 ( 1.843 8.661 0.819) 8.893 8.872 ( -1.775 -0.501 -2.310) 2.956 9.002 ( -2.675 -3.429 -2.411) 4.973 9.137 ( -2.259 -1.796 -0.230) 2.895 9.189 ( -4.250 -1.136 -1.845) 4.771 13.324 ( -0.590 3.278 0.097) 3.332 13.686 ( 4.146 11.522 -1.366) 12.322 14.084 ( -0.658 -19.223 1.024) 19.261 14.576 ( 1.425 -13.379 -0.244) 13.457 14.909 ( 0.259 19.224 0.277) 19.227 15.186 ( 1.662 8.438 -2.672) 9.005 15.559 ( 0.078 -0.923 8.143) 8.195 15.881 ( 1.074 -5.830 -2.732) 6.528 18.784 ( 3.774 1.435 -7.376) 8.409 18.965 ( 0.117 -2.986 -3.789) 4.826 19.471 ( -0.210 2.333 1.644) 2.862 19.669 ( 5.794 -2.576 5.536) 8.418 20.307 ( 1.435 2.670 12.478) 12.841 20.622 ( -2.412 -6.928 -7.612) 10.572 21.085 ( -5.135 12.119 -6.375) 14.624 21.745 ( 1.367 -6.177 1.731) 6.559 23.609 ( -2.847 2.363 0.168) 3.703 23.770 ( 1.175 -1.277 0.855) 1.935 23.896 ( 2.940 1.106 -0.845) 3.253 24.002 ( 2.681 -0.783 -3.734) 4.663 ======================= Grid point 86 (43/129) ======================= q-point: (-0.25 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -10.333 1.743 -11.525) 15.576 0.875 ( -6.205 5.604 -1.671) 8.526 0.968 ( -0.665 -1.424 0.112) 1.575 1.138 ( -4.722 -0.880 -1.985) 5.198 1.202 ( -0.436 -2.089 2.430) 3.235 1.258 ( -1.331 3.992 3.129) 5.244 1.310 ( -0.246 0.356 0.012) 0.433 1.378 ( -2.831 -0.131 1.583) 3.246 1.581 ( -1.652 -5.138 -0.164) 5.400 1.799 ( -1.219 5.773 -0.708) 5.943 1.956 ( 5.464 -3.890 -2.085) 7.024 2.081 ( -1.009 -1.167 3.773) 4.076 2.175 ( 2.518 0.401 -8.393) 8.772 2.442 ( 4.330 -5.373 -2.261) 7.261 2.540 ( -1.410 -0.923 -1.909) 2.547 2.763 ( -3.405 2.491 4.724) 6.334 2.944 ( 4.003 -0.323 -0.435) 4.039 3.057 ( 3.451 5.162 -3.116) 6.947 3.208 ( -0.458 -1.416 -1.013) 1.800 3.321 ( 2.204 1.526 -2.463) 3.641 3.619 ( 0.497 -4.780 1.855) 5.151 3.806 ( -0.296 -3.683 -7.265) 8.151 3.847 ( 2.593 4.221 6.306) 8.019 3.981 ( 5.133 1.800 3.331) 6.378 4.140 ( 4.583 -2.573 1.750) 5.539 4.196 ( 6.615 -3.031 0.589) 7.301 4.419 ( 1.366 -0.792 -0.521) 1.663 4.485 ( 0.564 -0.620 -2.364) 2.508 6.730 ( 7.398 9.642 -1.572) 12.254 7.267 ( 3.705 8.773 0.558) 9.540 7.563 ( -0.574 -11.052 4.861) 12.087 7.916 ( -5.387 -4.949 -1.516) 7.471 8.182 ( 1.352 -2.589 -1.041) 3.101 8.324 ( 1.798 -4.312 3.667) 5.939 8.537 ( 1.454 4.055 -2.659) 5.062 8.732 ( -0.161 6.191 0.746) 6.238 8.814 ( -2.980 1.550 -3.386) 4.770 8.929 ( -4.396 -5.485 -1.219) 7.134 9.047 ( -4.358 -1.043 -3.057) 5.424 9.135 ( -2.472 -1.523 0.828) 3.019 13.318 ( -0.114 3.519 0.338) 3.537 13.767 ( 4.825 9.985 -1.494) 11.190 14.075 ( -0.583 -19.444 0.542) 19.460 14.599 ( 0.826 -13.935 0.585) 13.972 14.915 ( 0.342 19.081 -0.190) 19.085 15.219 ( 2.571 8.657 -0.119) 9.031 15.590 ( -0.796 -0.435 8.551) 8.599 15.895 ( 1.677 -5.877 -2.792) 6.719 18.834 ( 4.494 0.578 -8.202) 9.370 18.963 ( 1.930 -0.961 -2.735) 3.483 19.468 ( -0.264 4.094 -1.106) 4.249 19.807 ( 5.412 -5.130 5.511) 9.272 20.368 ( -0.198 2.919 8.834) 9.306 20.534 ( -3.177 4.335 -6.951) 8.786 20.982 ( -2.376 6.619 -5.967) 9.223 21.770 ( 0.217 -10.377 2.390) 10.651 23.568 ( -1.476 4.272 0.921) 4.613 23.801 ( 1.513 -1.804 0.952) 2.540 23.944 ( 2.472 0.831 -1.434) 2.976 24.031 ( 2.236 0.021 -5.151) 5.616 ======================= Grid point 87 (44/129) ======================= q-point: (-0.17 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -10.071 7.034 -9.771) 15.696 0.703 ( -11.086 6.239 1.749) 12.841 0.944 ( -2.142 -1.169 2.172) 3.267 1.027 ( -8.351 8.641 2.894) 12.360 1.175 ( 0.483 1.930 -1.576) 2.538 1.250 ( -1.600 -3.820 2.568) 4.873 1.327 ( -2.500 -0.096 2.278) 3.384 1.359 ( 2.715 -6.383 -0.326) 6.944 1.563 ( -0.785 -6.428 2.056) 6.794 1.754 ( -2.660 5.633 -1.200) 6.344 2.056 ( 5.556 -6.910 -3.019) 9.367 2.086 ( -1.037 -2.365 9.090) 9.450 2.216 ( 4.962 1.756 -3.587) 6.369 2.519 ( 1.647 -4.164 -7.115) 8.407 2.554 ( 5.518 -0.896 1.942) 5.918 2.728 ( -2.299 4.717 4.454) 6.883 2.906 ( -3.200 4.413 -3.297) 6.371 3.080 ( -4.835 1.000 -4.820) 6.900 3.227 ( 6.926 0.560 -1.331) 7.075 3.369 ( 1.652 -6.784 -2.919) 7.568 3.646 ( 1.362 -4.512 2.160) 5.184 3.719 ( -5.104 -5.812 -8.717) 11.654 3.915 ( 1.759 5.456 5.188) 7.731 4.068 ( 3.426 1.955 -1.000) 4.070 4.223 ( 3.003 -1.740 3.648) 5.035 4.335 ( 6.405 -3.641 0.247) 7.372 4.435 ( 0.649 -0.963 -0.524) 1.274 4.475 ( -0.315 -0.808 -2.885) 3.013 6.892 ( 9.541 8.419 -0.230) 12.726 7.277 ( -2.123 5.657 3.009) 6.750 7.575 ( -2.052 -9.630 0.684) 9.870 7.835 ( -0.788 -0.194 -0.046) 0.813 8.193 ( 0.618 0.565 1.652) 1.852 8.403 ( 3.948 -5.886 1.755) 7.302 8.574 ( 2.719 2.871 -1.725) 4.314 8.698 ( -4.069 -0.735 -3.159) 5.204 8.737 ( -3.000 5.457 -0.076) 6.228 8.829 ( -4.580 -2.547 -0.175) 5.243 8.977 ( -1.959 -2.836 -1.770) 3.875 9.083 ( -3.146 -1.213 0.438) 3.400 13.323 ( 0.372 3.574 0.892) 3.703 13.849 ( 4.362 7.989 -2.439) 9.424 14.068 ( -0.380 -18.970 0.859) 18.993 14.611 ( -0.145 -15.376 1.187) 15.422 14.921 ( 0.448 18.252 -0.175) 18.258 15.286 ( 3.775 7.987 2.661) 9.226 15.604 ( -1.777 -0.127 8.312) 8.501 15.918 ( 1.836 -5.923 -2.403) 6.650 18.869 ( 2.780 1.271 -4.863) 5.744 19.037 ( 7.362 2.462 -4.510) 8.978 19.455 ( 0.667 7.950 -4.681) 9.250 19.909 ( 3.335 -6.418 1.432) 7.373 20.384 ( -0.353 8.155 0.629) 8.187 20.440 ( -5.027 11.807 1.771) 12.954 20.946 ( 1.147 -0.165 -4.917) 5.052 21.762 ( -2.905 -16.358 2.518) 16.803 23.572 ( 1.807 7.849 1.478) 8.189 23.834 ( 1.546 -0.838 0.553) 1.844 23.971 ( 1.069 -0.445 -3.043) 3.256 24.035 ( 0.756 0.668 -5.761) 5.849 ======================= Grid point 88 (45/129) ======================= q-point: (-0.08 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 0.899 13.403 5.043) 14.348 0.499 ( -10.586 9.138 4.943) 14.832 0.854 ( -9.051 20.616 8.436) 24.043 0.942 ( -0.473 -5.213 1.045) 5.338 1.185 ( 0.192 0.288 -1.216) 1.264 1.221 ( -1.495 -5.960 -0.604) 6.174 1.291 ( -1.647 -0.757 0.619) 1.916 1.402 ( 1.584 -7.530 -0.518) 7.713 1.561 ( -0.882 -7.794 3.182) 8.464 1.697 ( -2.304 5.169 -1.873) 5.961 2.121 ( -2.751 -7.658 9.627) 12.605 2.140 ( 4.137 -8.812 -2.369) 10.019 2.321 ( 5.520 1.444 2.208) 6.118 2.496 ( 0.979 -1.110 -2.815) 3.180 2.625 ( 0.239 0.472 -2.210) 2.273 2.715 ( -2.062 5.189 3.331) 6.502 2.837 ( -2.163 4.338 -2.289) 5.361 2.980 ( -0.848 1.610 0.232) 1.835 3.271 ( -3.941 -8.051 -2.843) 9.404 3.396 ( 4.888 -1.931 -1.780) 5.549 3.558 ( -5.395 -3.639 -5.557) 8.558 3.700 ( 1.569 -5.478 5.752) 8.096 3.959 ( 0.710 6.130 4.143) 7.433 4.105 ( 1.398 2.461 -2.739) 3.938 4.276 ( 0.782 -1.393 2.232) 2.745 4.415 ( 1.792 -4.045 -1.889) 4.811 4.445 ( 0.580 -0.845 -1.167) 1.553 4.463 ( 1.155 -0.924 -1.399) 2.036 7.047 ( 3.921 3.051 1.287) 5.132 7.298 ( 6.029 9.560 1.312) 11.379 7.481 ( -6.356 -3.246 0.535) 7.157 7.843 ( -1.747 -2.418 -0.407) 3.011 8.223 ( 0.731 -0.729 3.653) 3.796 8.462 ( 1.423 -5.208 -1.697) 5.659 8.562 ( -1.922 2.830 -3.163) 4.659 8.642 ( 0.757 1.679 1.569) 2.420 8.680 ( -2.525 0.056 0.627) 2.602 8.797 ( 0.288 -1.012 3.500) 3.654 8.947 ( -0.628 -3.594 -0.712) 3.718 9.024 ( -2.856 -1.412 -0.431) 3.215 13.340 ( 0.743 3.698 1.606) 4.100 13.903 ( 2.619 5.012 -4.425) 7.181 14.074 ( 0.434 -16.924 2.191) 17.071 14.591 ( -3.031 -17.373 1.310) 17.684 14.930 ( 0.428 18.101 0.444) 18.112 15.358 ( 1.073 3.182 0.022) 3.358 15.595 ( -2.876 -0.089 7.287) 7.835 15.942 ( 1.587 -6.064 -1.676) 6.488 18.919 ( 3.180 3.079 -0.831) 4.503 19.203 ( 9.218 -0.682 0.205) 9.246 19.519 ( 14.865 19.525 -8.475) 25.962 19.963 ( 3.216 -3.813 -2.390) 5.531 20.325 ( -2.418 21.193 -2.886) 21.525 20.409 ( -1.444 6.013 4.924) 7.905 20.978 ( 3.539 -3.947 -1.633) 5.547 21.638 ( -12.936 -22.738 2.778) 26.307 23.672 ( 8.759 12.427 -1.585) 15.286 23.861 ( 1.121 1.009 -0.123) 1.513 23.923 ( -3.854 0.333 -7.252) 8.219 24.028 ( 0.512 -0.743 -1.480) 1.734 ======================= Grid point 89 (46/129) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -1.772 12.083 2.549) 12.475 0.649 ( 4.313 9.234 7.880) 12.883 0.832 ( 1.404 -7.694 5.208) 9.396 0.871 ( -0.771 -10.203 -0.341) 10.237 1.205 ( 0.338 1.116 -1.637) 2.010 1.242 ( -0.036 -2.385 -1.152) 2.649 1.324 ( -0.524 -0.492 1.166) 1.370 1.376 ( -2.045 -3.870 3.667) 5.710 1.438 ( 0.590 23.904 2.609) 24.053 1.801 ( -0.516 6.512 -0.818) 6.584 1.889 ( -3.378 -8.735 3.360) 9.950 1.919 ( -0.473 -14.183 1.957) 14.325 2.460 ( 2.362 3.482 4.042) 5.835 2.557 ( 5.887 -6.445 5.998) 10.591 2.694 ( -1.133 5.246 -3.788) 6.570 2.759 ( -1.638 0.304 -0.449) 1.725 2.915 ( 1.307 5.999 0.342) 6.149 3.056 ( 4.082 -6.344 0.244) 7.548 3.093 ( -1.296 5.120 -0.272) 5.288 3.278 ( -0.309 -11.206 -0.435) 11.219 3.573 ( 2.602 6.118 2.218) 7.008 3.684 ( 2.939 -4.886 4.607) 7.330 4.091 ( -0.913 4.989 0.303) 5.081 4.136 ( -1.043 1.050 -4.003) 4.268 4.238 ( -2.317 -0.006 -0.332) 2.340 4.307 ( -1.272 -5.789 -2.725) 6.524 4.455 ( 1.442 0.321 0.080) 1.479 4.467 ( 1.043 -0.791 0.255) 1.334 7.119 ( -2.120 6.143 4.034) 7.648 7.271 ( -2.978 -8.311 5.380) 10.338 7.696 ( 4.368 9.683 -2.949) 11.024 7.794 ( 0.491 -0.033 -2.022) 2.081 8.232 ( -1.636 3.008 1.754) 3.847 8.338 ( -0.989 -6.759 -0.220) 6.834 8.619 ( 2.373 1.835 1.621) 3.410 8.659 ( 1.767 -1.163 -0.343) 2.143 8.712 ( 0.858 1.434 1.718) 2.397 8.767 ( -0.010 -1.710 -0.026) 1.710 8.871 ( -1.116 -0.223 -0.661) 1.316 8.931 ( -0.482 -3.934 -0.879) 4.060 13.489 ( 0.787 8.978 1.860) 9.203 13.716 ( 0.800 -14.109 0.553) 14.143 14.123 ( 0.623 8.504 -2.455) 8.873 14.299 ( -0.393 -9.279 -1.896) 9.478 15.261 ( -0.895 10.512 1.708) 10.688 15.339 ( -2.805 0.587 -1.144) 3.086 15.594 ( -2.205 5.893 2.452) 6.753 15.786 ( 0.465 -11.032 -0.284) 11.046 19.039 ( 0.039 5.956 -0.491) 5.976 19.162 ( -0.112 -6.185 -0.333) 6.195 19.883 ( 2.652 1.489 -4.741) 5.633 19.938 ( 0.693 -3.792 -3.060) 4.922 20.613 ( 3.353 11.820 0.728) 12.307 20.768 ( 12.920 2.132 -3.313) 13.507 20.928 ( -0.787 -2.590 2.195) 3.485 21.037 ( -10.968 -8.963 5.180) 15.082 23.827 ( -5.215 3.158 -5.514) 8.220 23.856 ( -2.008 -0.162 -3.254) 3.827 23.988 ( 5.713 0.776 0.153) 5.767 24.011 ( 3.312 -1.436 -0.101) 3.611 ======================= Grid point 90 (47/129) ======================= q-point: ( 0.08 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 2.298 12.546 1.851) 12.888 0.805 ( 7.028 3.506 10.117) 12.808 0.873 ( 1.772 -8.144 2.178) 8.614 0.922 ( 4.288 -5.311 5.321) 8.655 1.207 ( 0.733 1.349 -1.471) 2.126 1.244 ( 0.940 -1.827 -1.498) 2.542 1.324 ( 0.407 -2.219 -0.151) 2.261 1.349 ( -1.600 -4.432 1.656) 4.994 1.497 ( 3.311 24.529 4.943) 25.240 1.800 ( 1.276 4.510 -2.369) 5.252 1.839 ( -1.568 0.843 1.435) 2.287 1.947 ( 0.837 -18.632 3.067) 18.901 2.489 ( -1.364 4.512 3.992) 6.177 2.621 ( -3.582 6.878 -4.424) 8.928 2.649 ( -0.030 -9.970 5.047) 11.175 2.715 ( -1.992 -1.266 -2.586) 3.501 2.963 ( 1.866 2.715 0.427) 3.322 3.052 ( -1.248 -2.152 0.248) 2.500 3.180 ( 5.111 0.149 -0.118) 5.114 3.307 ( 3.271 -8.451 2.021) 9.284 3.639 ( 2.864 6.486 2.035) 7.376 3.763 ( 2.918 -5.149 2.330) 6.360 4.053 ( -2.884 2.208 0.171) 3.636 4.065 ( -4.112 1.769 -4.470) 6.326 4.179 ( -3.447 -0.252 -0.113) 3.459 4.245 ( -3.735 -5.848 -3.087) 7.595 4.475 ( 0.276 0.883 0.392) 1.005 4.492 ( 1.364 -0.803 0.252) 1.603 7.098 ( -1.689 6.007 3.021) 6.933 7.231 ( -2.955 -6.022 3.674) 7.648 7.681 ( -3.112 8.301 0.360) 8.872 7.803 ( -0.345 -2.731 -1.543) 3.155 8.217 ( -0.188 4.679 0.414) 4.701 8.332 ( -0.346 -6.418 -0.260) 6.432 8.682 ( 1.809 2.792 2.194) 3.985 8.711 ( 3.248 2.616 0.424) 4.192 8.752 ( 2.900 -4.191 2.569) 5.707 8.775 ( 1.624 1.034 -0.922) 2.135 8.869 ( 1.748 -1.596 -1.304) 2.703 8.946 ( 2.202 -5.509 -0.674) 5.971 13.510 ( 0.253 9.056 2.651) 9.439 13.736 ( 0.785 -13.603 0.776) 13.648 14.109 ( -0.914 8.781 -2.195) 9.097 14.288 ( 0.318 -8.755 -2.631) 9.147 15.230 ( -2.701 7.813 0.447) 8.279 15.290 ( -1.318 1.548 -1.090) 2.307 15.566 ( -1.535 8.977 1.515) 9.232 15.794 ( 0.288 -11.563 0.258) 11.569 19.010 ( -2.445 5.249 -0.077) 5.791 19.122 ( -3.415 -5.501 -0.925) 6.541 19.823 ( -4.866 0.382 -4.374) 6.554 19.858 ( -6.500 -3.387 -2.990) 7.915 20.635 ( -4.261 12.966 4.489) 14.368 20.835 ( -7.145 -5.791 7.131) 11.638 21.007 ( 7.048 0.322 -1.071) 7.137 21.079 ( 15.307 -6.261 -3.676) 16.942 23.706 ( -4.580 5.421 -2.827) 7.639 23.785 ( -3.200 -2.928 -2.584) 5.049 24.044 ( 1.447 2.063 -0.480) 2.565 24.094 ( 3.169 -2.842 -1.151) 4.409 ======================= Grid point 91 (48/129) ======================= q-point: ( 0.17 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 4.240 11.090 -0.619) 11.889 0.908 ( 2.170 -9.241 0.500) 9.506 1.010 ( 7.661 2.877 9.835) 12.794 1.050 ( 5.686 -1.921 6.672) 8.974 1.226 ( 1.995 1.958 -0.949) 2.951 1.260 ( 1.154 -0.470 -1.312) 1.809 1.335 ( 0.013 -2.864 0.719) 2.952 1.353 ( 2.781 -4.729 -0.392) 5.500 1.591 ( 3.542 20.654 5.327) 21.622 1.831 ( 3.066 2.669 -3.047) 5.080 1.839 ( 1.261 2.148 -1.468) 2.891 1.966 ( -0.518 -14.575 3.508) 15.000 2.451 ( -3.823 3.202 2.627) 5.636 2.534 ( -2.686 5.509 -4.173) 7.415 2.607 ( -4.730 -5.019 0.892) 6.954 2.677 ( -1.695 -8.094 0.786) 8.307 2.967 ( -1.526 0.741 0.688) 1.830 3.024 ( -1.859 -3.276 -0.633) 3.819 3.256 ( 3.305 5.980 0.124) 6.834 3.390 ( 3.525 -5.236 1.573) 6.505 3.689 ( 1.630 5.913 0.143) 6.135 3.777 ( -2.071 -0.655 -3.081) 3.770 3.937 ( -6.457 3.199 -4.802) 8.659 4.005 ( -2.794 -4.423 2.166) 5.663 4.109 ( -3.753 -2.024 0.346) 4.278 4.145 ( -5.175 -4.673 -1.220) 7.078 4.471 ( -0.779 2.288 0.009) 2.417 4.510 ( 0.256 -1.530 -0.021) 1.551 7.076 ( -2.250 6.828 2.573) 7.635 7.196 ( -1.883 -3.498 1.323) 4.187 7.626 ( -3.161 5.101 1.594) 6.209 7.763 ( -2.541 -7.218 -0.045) 7.652 8.223 ( 0.449 3.897 -0.361) 3.939 8.293 ( -3.551 -3.458 0.059) 4.957 8.694 ( -0.219 5.058 0.629) 5.101 8.789 ( 2.594 -2.869 0.709) 3.932 8.812 ( 1.973 4.711 -0.912) 5.188 8.832 ( 5.147 -1.374 2.278) 5.794 8.937 ( 5.197 -2.811 -0.983) 5.990 9.007 ( 4.491 -6.241 0.459) 7.703 13.521 ( -0.456 9.464 3.057) 9.956 13.750 ( 0.272 -12.877 0.659) 12.897 14.071 ( -1.984 9.861 -1.639) 10.191 14.283 ( 0.436 -10.314 -3.497) 10.899 15.184 ( -1.608 7.285 -1.178) 7.553 15.270 ( -0.725 -1.107 0.271) 1.351 15.549 ( -0.938 11.880 1.190) 11.976 15.797 ( -0.241 -11.548 0.723) 11.573 18.957 ( -2.652 3.006 -0.642) 4.060 19.036 ( -4.611 -4.437 -1.487) 6.570 19.703 ( -5.691 -0.661 -3.145) 6.535 19.713 ( -5.924 -1.420 -3.236) 6.897 20.509 ( -9.185 13.990 5.153) 17.511 20.753 ( -5.578 -10.034 6.572) 13.228 21.167 ( 9.373 6.296 -0.961) 11.332 21.319 ( 10.734 -7.751 -3.699) 13.747 23.640 ( -1.483 4.878 -0.459) 5.119 23.726 ( -1.875 -3.844 -1.299) 4.470 24.045 ( -0.886 3.202 -1.245) 3.548 24.110 ( -0.578 -3.221 -1.576) 3.632 ======================= Grid point 92 (49/129) ======================= q-point: ( 0.25 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 4.571 8.469 -4.004) 10.424 0.941 ( 1.632 -7.333 -1.480) 7.657 1.149 ( 2.493 2.353 2.557) 4.276 1.185 ( 4.464 -0.182 5.415) 7.020 1.274 ( 3.230 1.331 0.489) 3.528 1.287 ( 2.567 0.114 1.410) 2.931 1.359 ( 2.252 -0.446 0.975) 2.494 1.432 ( 4.959 -5.872 0.495) 7.702 1.666 ( 1.689 17.169 4.372) 17.797 1.848 ( 0.169 3.350 -2.380) 4.113 1.881 ( 2.855 -0.018 -4.339) 5.194 1.963 ( -0.964 -9.850 3.890) 10.634 2.379 ( -3.818 0.987 0.325) 3.957 2.468 ( -4.301 -2.955 -2.559) 5.812 2.538 ( -0.437 2.570 -1.058) 2.813 2.653 ( -1.033 -9.168 1.113) 9.293 2.929 ( -2.508 1.517 2.985) 4.183 2.983 ( -1.734 -3.607 0.116) 4.004 3.310 ( 2.102 7.677 -0.715) 7.991 3.433 ( 0.132 -3.762 -1.450) 4.034 3.668 ( -6.290 3.310 -4.249) 8.281 3.688 ( -1.788 2.073 -2.833) 3.940 3.802 ( -4.829 7.510 -1.447) 9.045 3.945 ( -4.989 -4.593 3.227) 7.510 4.044 ( -3.750 -4.656 0.293) 5.985 4.064 ( -2.105 -5.208 0.720) 5.664 4.447 ( -1.558 3.067 -0.543) 3.482 4.499 ( -1.231 -2.030 -0.519) 2.430 7.025 ( -4.294 9.479 2.627) 10.733 7.169 ( -0.924 -2.632 -1.831) 3.337 7.565 ( -4.147 4.189 2.502) 6.404 7.733 ( -0.424 -10.730 -0.004) 10.738 8.207 ( -3.105 0.704 1.352) 3.459 8.237 ( -0.975 -2.196 0.224) 2.413 8.695 ( 0.351 6.464 -0.540) 6.496 8.809 ( 0.350 -2.068 -1.245) 2.439 8.845 ( 1.317 2.044 0.256) 2.445 8.933 ( 3.721 -3.724 -0.112) 5.266 9.042 ( 6.012 1.038 0.833) 6.157 9.121 ( 6.138 -4.608 1.333) 7.790 13.521 ( -0.926 9.806 2.969) 10.287 13.752 ( -0.237 -11.905 0.265) 11.910 14.023 ( -2.329 10.655 -1.007) 10.952 14.271 ( 0.024 -12.388 -3.932) 12.997 15.159 ( -0.490 7.624 -1.304) 7.750 15.266 ( 0.087 -3.267 0.790) 3.362 15.536 ( -1.020 13.330 0.975) 13.405 15.790 ( -0.890 -11.334 0.803) 11.397 18.909 ( -1.485 0.335 -2.544) 2.964 18.943 ( -3.824 -2.758 -2.537) 5.354 19.588 ( -4.479 0.510 -1.777) 4.846 19.614 ( -3.808 -1.691 -1.280) 4.359 20.366 ( -7.376 16.029 3.601) 18.008 20.670 ( -5.860 -14.758 5.689) 16.867 21.335 ( 8.100 7.199 -0.298) 10.841 21.464 ( 6.295 -5.213 -2.884) 8.668 23.638 ( 0.950 3.347 0.751) 3.559 23.703 ( -0.155 -3.168 -0.338) 3.189 24.002 ( -2.711 3.312 -1.709) 4.609 24.068 ( -2.813 -3.097 -1.809) 4.558 ======================= Grid point 93 (50/129) ======================= q-point: ( 0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 4.226 6.665 -6.640) 10.314 0.970 ( 2.789 -5.593 -3.020) 6.941 1.160 ( -0.482 3.182 -1.584) 3.587 1.216 ( -0.489 -1.352 -2.279) 2.695 1.355 ( 2.468 0.559 2.000) 3.225 1.367 ( 3.949 -0.569 3.021) 5.005 1.419 ( 2.984 2.917 1.292) 4.368 1.527 ( 4.312 -6.251 0.010) 7.594 1.683 ( -1.683 15.606 3.349) 16.049 1.820 ( -2.000 2.404 -0.243) 3.137 1.878 ( -1.151 -2.201 -4.384) 5.039 1.972 ( -0.243 -8.770 3.638) 9.498 2.320 ( -1.947 1.086 -2.005) 2.998 2.372 ( -3.296 -1.120 -2.424) 4.242 2.559 ( 2.203 2.123 -2.314) 3.836 2.650 ( 0.461 -8.125 -1.208) 8.227 2.925 ( 0.547 1.990 4.816) 5.239 2.979 ( 1.143 -3.051 1.961) 3.803 3.306 ( -1.909 3.493 -3.326) 5.187 3.356 ( -5.421 -1.538 -6.290) 8.445 3.552 ( -4.324 5.412 1.738) 7.142 3.629 ( -2.792 -0.153 0.388) 2.823 3.737 ( -2.752 8.151 0.056) 8.603 3.863 ( -4.289 -4.607 2.706) 6.851 3.991 ( -1.784 -1.985 1.535) 3.079 4.044 ( -0.856 -5.930 0.342) 6.001 4.409 ( -1.878 2.947 -0.951) 3.622 4.463 ( -1.988 -2.247 -0.968) 3.152 6.942 ( -5.099 12.319 1.965) 13.477 7.138 ( -0.936 -3.085 -4.153) 5.257 7.497 ( -4.115 5.923 3.783) 8.144 7.738 ( 0.898 -13.921 -0.720) 13.969 8.164 ( -1.840 1.058 2.764) 3.485 8.222 ( -1.477 -4.880 1.683) 5.369 8.706 ( 1.436 6.671 -2.253) 7.187 8.805 ( 0.094 -1.003 -1.693) 1.970 8.860 ( 0.181 1.630 0.107) 1.643 8.978 ( 1.637 -6.640 -0.877) 6.895 9.161 ( 5.283 3.275 1.222) 6.335 9.231 ( 4.501 -3.027 0.656) 5.463 13.513 ( -1.149 10.007 2.506) 10.380 13.744 ( -0.482 -10.928 -0.299) 10.942 13.977 ( -1.966 10.905 -0.349) 11.087 14.251 ( -0.077 -14.089 -3.858) 14.608 15.151 ( 0.132 8.612 -0.635) 8.637 15.279 ( 0.760 -4.485 1.101) 4.680 15.518 ( -1.189 13.654 0.593) 13.718 15.771 ( -1.266 -11.173 0.407) 11.252 18.872 ( -2.033 -0.828 -3.738) 4.335 18.880 ( 0.174 -1.801 -4.771) 5.103 19.517 ( -2.683 1.289 0.290) 2.991 19.549 ( -2.987 -1.745 1.364) 3.718 20.269 ( -4.168 15.801 2.985) 16.612 20.586 ( -5.149 -16.460 4.779) 17.896 21.469 ( 5.703 5.377 0.105) 7.839 21.543 ( 3.459 -1.927 -2.864) 4.887 23.674 ( 2.232 2.048 1.082) 3.216 23.713 ( 1.104 -1.676 0.108) 2.010 23.932 ( -3.586 2.951 -1.793) 4.978 23.995 ( -3.572 -3.222 -1.934) 5.185 ======================= Grid point 94 (51/129) ======================= q-point: ( 0.42 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 4.352 6.929 -6.712) 10.583 1.024 ( 4.101 -5.193 -3.280) 7.385 1.136 ( -0.828 3.277 -3.872) 5.140 1.184 ( -0.937 -0.295 -3.557) 3.690 1.376 ( -0.584 0.487 -1.263) 1.474 1.406 ( -0.269 -2.124 -3.315) 3.946 1.477 ( 2.108 4.039 2.525) 5.209 1.580 ( 0.939 -2.708 -0.756) 2.964 1.663 ( -1.048 9.968 3.125) 10.498 1.779 ( -2.680 -1.434 -0.245) 3.049 1.825 ( -1.346 -0.521 -0.603) 1.564 1.978 ( -1.002 -10.333 3.656) 11.006 2.287 ( -0.134 4.177 -3.070) 5.186 2.332 ( -0.074 0.746 -1.927) 2.068 2.568 ( -0.095 0.535 -6.220) 6.243 2.641 ( -0.386 -6.781 -4.582) 8.193 2.976 ( 2.094 2.835 2.472) 4.305 3.028 ( 2.402 -1.626 -0.130) 2.904 3.247 ( -1.803 1.407 -1.567) 2.773 3.266 ( 0.049 -1.075 1.644) 1.965 3.493 ( -4.024 4.999 4.238) 7.691 3.567 ( -4.410 -1.515 2.028) 5.085 3.697 ( -1.240 6.495 0.813) 6.662 3.818 ( -1.703 -5.230 2.020) 5.859 3.985 ( 0.151 -0.148 1.284) 1.302 4.030 ( -0.739 -3.729 0.545) 3.840 4.372 ( -1.330 2.744 -1.107) 3.244 4.424 ( -1.297 -2.410 -1.153) 2.970 6.861 ( -3.641 14.359 1.059) 14.851 7.104 ( -0.052 -4.052 -5.218) 6.607 7.450 ( -2.830 7.879 5.337) 9.929 7.757 ( 1.441 -16.577 -0.792) 16.658 8.154 ( -1.005 0.206 2.969) 3.141 8.193 ( -2.497 -3.962 2.317) 5.225 8.728 ( 2.190 5.357 -3.381) 6.703 8.801 ( 0.345 -2.411 -1.915) 3.098 8.856 ( -0.534 4.027 0.452) 4.088 8.998 ( 0.923 -7.448 -0.414) 7.517 9.238 ( 2.202 3.452 -0.449) 4.119 9.292 ( 1.795 -2.044 -0.480) 2.763 13.500 ( -1.196 10.133 1.848) 10.369 13.733 ( -0.400 -10.656 -0.757) 10.690 13.947 ( -1.110 11.291 0.087) 11.346 14.238 ( 0.440 -15.205 -3.378) 15.582 15.157 ( 0.521 9.769 0.423) 9.792 15.300 ( 0.697 -4.519 1.258) 4.742 15.501 ( -0.709 12.800 0.350) 12.824 15.747 ( -1.140 -11.067 -0.336) 11.130 18.831 ( -0.320 1.044 -4.668) 4.794 18.873 ( 1.601 -3.274 -6.065) 7.076 19.484 ( -1.517 1.291 2.475) 3.177 19.509 ( -2.175 -1.114 2.976) 3.851 20.234 ( -1.111 13.366 3.846) 13.953 20.520 ( -3.653 -15.707 4.000) 16.615 21.542 ( 1.464 4.312 -0.930) 4.648 21.584 ( 2.632 -0.355 -2.739) 3.815 23.724 ( 2.153 1.368 0.690) 2.643 23.743 ( 2.008 -0.201 0.231) 2.031 23.855 ( -3.515 2.700 -1.529) 4.688 23.924 ( -2.691 -3.829 -1.800) 5.014 ======================= Grid point 95 (52/129) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 5.538 7.503 -4.074) 10.176 1.072 ( -0.097 1.259 -3.514) 3.734 1.105 ( 1.920 -0.370 -3.936) 4.395 1.152 ( -1.109 -0.211 -3.942) 4.101 1.333 ( -2.208 -1.537 -3.297) 4.255 1.352 ( -2.573 -3.291 -4.426) 6.086 1.500 ( -0.936 2.916 -2.526) 3.970 1.577 ( 0.210 2.619 -0.320) 2.647 1.657 ( -1.447 2.923 0.209) 3.268 1.720 ( -1.663 0.075 -0.138) 1.671 1.857 ( 3.126 -1.835 2.767) 4.560 1.966 ( -1.189 -8.949 2.140) 9.278 2.277 ( 0.132 4.281 -5.323) 6.832 2.343 ( 1.127 -0.707 -0.192) 1.344 2.503 ( -1.794 2.140 -7.753) 8.241 2.606 ( -0.211 -6.901 -3.630) 7.800 2.998 ( -0.265 3.464 -1.595) 3.823 3.042 ( -0.695 -0.340 -1.762) 1.924 3.266 ( 1.885 4.277 1.157) 4.815 3.341 ( 3.941 -3.658 4.400) 6.948 3.460 ( 0.449 3.275 4.138) 5.297 3.514 ( -1.240 -1.941 7.027) 7.394 3.694 ( 0.133 5.010 1.528) 5.239 3.799 ( -1.225 -5.081 1.002) 5.322 3.986 ( -0.807 1.071 0.404) 1.401 4.030 ( 0.446 -2.851 1.003) 3.055 4.356 ( 0.351 2.663 -1.119) 2.910 4.408 ( 0.236 -2.499 -1.187) 2.777 6.821 ( -0.767 15.679 0.309) 15.700 7.100 ( 2.228 -6.077 -5.153) 8.273 7.441 ( -0.943 9.711 6.646) 11.805 7.786 ( 1.676 -18.096 0.042) 18.174 8.143 ( -1.729 -1.313 2.648) 3.424 8.148 ( -2.559 -1.840 0.949) 3.291 8.755 ( 1.962 2.767 -3.511) 4.882 8.789 ( -0.520 -2.012 -3.251) 3.859 8.857 ( 0.269 6.009 2.205) 6.407 9.013 ( 0.692 -7.385 0.362) 7.426 9.236 ( -1.538 3.905 -2.461) 4.866 9.296 ( -0.968 -2.304 -1.684) 3.014 13.484 ( -1.097 10.212 1.147) 10.334 13.724 ( -0.167 -11.671 -0.917) 11.708 13.937 ( 0.022 12.502 0.074) 12.502 14.240 ( 1.258 -15.812 -2.769) 16.102 15.174 ( 0.790 10.580 1.532) 10.720 15.312 ( -0.068 -2.192 1.086) 2.447 15.500 ( 0.519 9.756 0.819) 9.804 15.727 ( -0.562 -10.861 -1.170) 10.938 18.814 ( 0.779 2.602 -5.219) 5.883 18.882 ( 2.046 -4.253 -6.151) 7.753 19.479 ( -0.533 1.048 4.093) 4.258 19.497 ( -0.373 -0.585 3.256) 3.329 20.255 ( 0.898 9.944 5.508) 11.403 20.483 ( -1.892 -13.275 3.033) 13.748 21.523 ( -1.908 6.802 -3.363) 7.824 21.614 ( 1.206 -2.814 -1.816) 3.560 23.744 ( -0.556 1.597 -0.042) 1.691 23.772 ( -1.484 -1.045 -0.323) 1.843 23.811 ( 1.915 3.702 -0.585) 4.209 23.892 ( 0.523 -4.145 -1.504) 4.440 ======================= Grid point 96 (53/129) ======================= q-point: (-0.42 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -2.272 4.271 -4.854) 6.853 1.047 ( 3.753 6.560 -4.068) 8.583 1.092 ( -2.926 -1.071 -3.239) 4.495 1.134 ( 0.335 -0.543 -0.067) 0.642 1.276 ( -1.883 -2.483 -3.392) 4.606 1.297 ( -0.966 -4.202 -2.534) 5.001 1.415 ( -4.798 4.006 -6.721) 9.178 1.570 ( -1.912 -9.169 -4.507) 10.395 1.620 ( -0.423 10.819 1.518) 10.933 1.731 ( 1.686 0.271 0.283) 1.731 1.926 ( 2.227 -0.967 1.272) 2.741 1.981 ( 2.226 -4.707 1.825) 5.517 2.230 ( -1.177 2.796 -8.337) 8.872 2.320 ( -1.802 -5.712 -5.963) 8.452 2.516 ( 4.222 4.609 2.531) 6.744 2.626 ( 2.050 -5.971 1.416) 6.470 2.961 ( -2.709 2.794 0.152) 3.895 2.999 ( -1.332 -0.299 -1.964) 2.392 3.276 ( -0.181 6.026 -2.891) 6.686 3.372 ( 0.104 -3.689 -2.154) 4.273 3.578 ( 6.057 2.537 7.216) 9.757 3.615 ( 5.814 -0.543 10.051) 11.624 3.717 ( 2.021 2.120 1.946) 3.516 3.786 ( 0.373 -3.941 0.044) 3.959 3.967 ( -0.978 2.583 0.307) 2.779 4.044 ( 0.485 -4.024 0.507) 4.085 4.373 ( 1.763 2.256 -1.188) 3.100 4.420 ( 1.466 -2.343 -1.355) 3.078 6.834 ( 2.052 16.515 -0.269) 16.644 7.144 ( 4.428 -9.497 -4.059) 11.237 7.466 ( 0.022 11.560 6.797) 13.411 7.813 ( 0.438 -17.613 1.191) 17.658 8.098 ( -2.000 0.347 0.431) 2.075 8.136 ( 0.139 -3.953 0.885) 4.053 8.736 ( -1.938 1.830 -3.575) 4.459 8.782 ( 0.997 -1.330 -3.625) 3.988 8.882 ( 0.883 6.570 2.953) 7.257 9.025 ( -0.059 -5.850 0.760) 5.900 9.169 ( -3.667 3.627 -2.856) 5.896 9.239 ( -3.688 -3.082 -2.931) 5.630 13.469 ( -0.868 10.278 0.536) 10.328 13.718 ( -0.034 -13.542 -0.861) 13.569 13.949 ( 1.268 14.054 -0.322) 14.115 14.259 ( 1.852 -15.984 -2.335) 16.260 15.200 ( 0.871 10.970 2.337) 11.250 15.310 ( -0.457 1.130 0.928) 1.532 15.526 ( 1.388 5.853 1.973) 6.330 15.717 ( 0.249 -10.437 -1.821) 10.597 18.812 ( 1.573 3.336 -5.552) 6.665 18.891 ( 1.512 -4.540 -5.356) 7.182 19.497 ( 0.531 1.794 3.683) 4.131 19.530 ( 2.141 -1.510 3.674) 4.513 20.311 ( 1.848 6.795 6.964) 9.904 20.474 ( -0.164 -9.895 1.647) 10.033 21.448 ( -3.887 10.097 -4.526) 11.728 21.611 ( -0.666 -6.550 -1.773) 6.818 23.706 ( -2.497 2.081 -0.067) 3.251 23.741 ( -1.197 -1.224 0.199) 1.723 23.869 ( 3.589 2.322 -0.922) 4.373 23.923 ( 2.985 -2.841 -1.867) 4.524 ======================= Grid point 97 (54/129) ======================= q-point: (-0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -5.444 1.132 -5.738) 7.990 0.968 ( -3.960 -0.919 -6.373) 7.559 1.069 ( -2.986 3.904 -0.183) 4.918 1.134 ( -0.797 -1.566 1.773) 2.497 1.247 ( 0.748 0.768 -1.751) 2.053 1.282 ( -1.752 2.989 -2.947) 4.549 1.298 ( -2.106 0.042 -4.536) 5.001 1.490 ( -3.161 -10.410 -3.492) 11.426 1.626 ( -1.020 10.733 0.926) 10.821 1.772 ( 2.884 -2.917 -1.209) 4.276 1.953 ( 0.224 3.588 0.295) 3.607 2.034 ( 1.490 -3.320 2.003) 4.154 2.186 ( 0.863 1.810 -7.843) 8.095 2.274 ( 0.502 -6.809 -6.169) 9.202 2.588 ( -0.081 3.009 3.072) 4.301 2.680 ( 2.945 -5.177 2.626) 6.509 2.929 ( 0.133 5.513 3.274) 6.413 3.033 ( 4.564 -4.450 1.657) 6.587 3.243 ( -1.416 7.303 -4.451) 8.669 3.356 ( -0.515 -3.578 -3.304) 4.897 3.634 ( -0.938 3.554 -0.790) 3.760 3.718 ( 0.525 -4.492 0.838) 4.600 3.821 ( 7.103 3.586 4.713) 9.248 3.892 ( 8.300 -1.216 6.493) 10.608 3.966 ( 1.123 1.682 0.378) 2.057 4.058 ( 1.082 -4.932 0.923) 5.133 4.404 ( 1.823 1.776 -1.366) 2.889 4.445 ( 1.612 -2.105 -1.793) 3.201 6.892 ( 3.971 16.688 -0.438) 17.159 7.224 ( 4.842 -14.060 -1.647) 14.961 7.487 ( -0.687 13.553 4.914) 14.433 7.800 ( -2.351 -14.901 1.324) 15.143 8.097 ( 2.093 1.269 0.016) 2.448 8.165 ( 2.497 -5.717 0.338) 6.248 8.679 ( -1.993 4.824 -3.182) 6.114 8.773 ( -0.311 -4.245 -3.258) 5.360 8.906 ( 0.034 6.578 2.382) 6.996 8.990 ( -3.954 -0.270 -1.775) 4.343 9.099 ( -2.507 -0.999 -0.065) 2.700 9.138 ( -4.909 -3.453 -2.814) 6.629 13.457 ( -0.517 10.323 0.168) 10.337 13.714 ( -0.046 -15.082 -0.780) 15.102 13.981 ( 2.313 14.635 -0.869) 14.842 14.286 ( 1.917 -15.700 -2.160) 15.964 15.225 ( 0.584 11.414 2.248) 11.648 15.310 ( 0.096 2.597 1.658) 3.083 15.565 ( 1.298 3.561 3.266) 5.003 15.721 ( 1.049 -9.864 -2.032) 10.125 18.827 ( 2.697 2.959 -5.595) 6.880 18.895 ( 1.421 -3.824 -4.138) 5.811 19.530 ( 1.552 3.589 1.755) 4.287 19.604 ( 3.701 -3.806 3.205) 6.201 20.382 ( 2.062 4.901 7.360) 9.080 20.492 ( 1.587 -6.219 0.731) 6.460 21.338 ( -5.180 13.108 -5.005) 14.956 21.576 ( -2.172 -10.800 -1.602) 11.132 23.667 ( -1.514 3.319 0.715) 3.717 23.729 ( -0.201 -2.835 0.991) 3.010 23.931 ( 3.363 2.306 -1.874) 4.488 23.975 ( 3.309 -1.953 -2.880) 4.802 ======================= Grid point 98 (55/129) ======================= q-point: (-0.25 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -7.601 4.514 -6.796) 11.151 0.878 ( -3.783 -6.526 -2.756) 8.031 0.978 ( -6.234 5.513 0.322) 8.328 1.096 ( -3.573 -5.629 1.273) 6.787 1.214 ( -0.955 5.590 -4.926) 7.512 1.271 ( 0.422 -0.543 -1.259) 1.434 1.293 ( 0.992 0.971 1.838) 2.303 1.435 ( -1.785 -9.454 -0.246) 9.624 1.582 ( -3.715 14.369 1.375) 14.905 1.820 ( 2.573 -8.535 -2.048) 9.147 1.934 ( -2.280 5.820 0.315) 6.259 2.043 ( -1.774 -3.927 3.331) 5.446 2.197 ( 3.558 2.621 -5.839) 7.323 2.293 ( 4.227 -7.324 -5.692) 10.194 2.590 ( 0.641 5.596 1.091) 5.737 2.726 ( 1.048 -6.572 1.453) 6.812 2.997 ( 3.155 6.376 4.165) 8.244 3.130 ( 2.591 -5.936 3.131) 7.194 3.196 ( -0.540 7.688 -3.993) 8.680 3.321 ( -1.557 -3.699 -3.187) 5.125 3.592 ( -1.625 3.103 -3.332) 4.834 3.696 ( -1.775 -6.248 -4.508) 7.907 3.948 ( 3.866 5.168 3.021) 7.126 4.018 ( 3.836 0.497 -0.377) 3.887 4.077 ( 6.608 -1.992 6.218) 9.289 4.122 ( 5.389 -4.037 3.296) 7.497 4.426 ( 1.102 1.319 -1.530) 2.301 4.459 ( 0.759 -1.790 -2.282) 2.998 6.979 ( 5.037 15.099 0.381) 15.922 7.290 ( 0.921 -15.882 2.899) 16.171 7.497 ( 1.121 13.680 0.383) 13.731 7.753 ( -2.305 -11.452 0.587) 11.697 8.165 ( 4.334 1.198 -0.525) 4.527 8.226 ( 3.457 -4.701 0.625) 5.868 8.643 ( -0.376 5.732 -1.860) 6.038 8.747 ( -0.902 -4.402 -2.242) 5.021 8.873 ( -5.870 1.912 -2.057) 6.507 8.888 ( -3.368 2.536 -1.171) 4.376 9.023 ( -4.245 -0.109 -0.670) 4.299 9.077 ( -2.159 -3.999 1.529) 4.795 13.452 ( -0.112 10.235 0.131) 10.236 13.709 ( -0.092 -15.653 -0.701) 15.669 14.026 ( 2.816 13.701 -1.394) 14.057 14.310 ( 1.459 -14.928 -2.095) 15.145 15.241 ( 0.255 12.132 1.278) 12.202 15.331 ( 0.876 1.985 3.140) 3.816 15.601 ( 0.578 2.922 4.258) 5.197 15.738 ( 1.502 -9.384 -1.651) 9.646 18.865 ( 3.607 2.580 -4.702) 6.463 18.923 ( 3.585 -2.914 -3.022) 5.520 19.570 ( 2.508 5.990 -1.340) 6.631 19.692 ( 4.259 -6.317 0.976) 7.681 20.452 ( 1.987 5.111 5.964) 8.102 20.541 ( 2.711 -3.180 1.938) 4.606 21.207 ( -6.002 15.044 -5.121) 16.987 21.512 ( -3.891 -15.232 -1.207) 15.767 23.661 ( 0.512 4.789 1.616) 5.080 23.745 ( 1.304 -3.718 1.684) 4.285 23.976 ( 2.333 2.223 -2.942) 4.364 24.016 ( 2.452 -1.568 -4.096) 5.024 ======================= Grid point 99 (56/129) ======================= q-point: (-0.17 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -4.670 9.956 -3.031) 11.407 0.804 ( -3.475 -7.133 -1.129) 8.014 0.846 ( -6.953 5.963 1.988) 9.373 1.015 ( -5.111 -8.900 0.723) 10.289 1.200 ( 0.808 3.276 -2.881) 4.437 1.259 ( -0.377 -2.219 -1.174) 2.538 1.326 ( 0.364 1.483 3.150) 3.501 1.408 ( -1.643 -6.203 2.406) 6.853 1.510 ( -4.208 18.026 1.922) 18.610 1.851 ( 1.665 -14.209 -1.536) 14.389 1.880 ( -3.223 6.886 0.618) 7.628 2.011 ( -2.902 -5.673 4.766) 7.958 2.269 ( 5.601 3.629 -2.529) 7.137 2.368 ( 5.214 -6.874 -4.372) 9.672 2.631 ( 3.074 5.903 -0.146) 6.657 2.748 ( 0.905 -4.214 0.571) 4.348 3.013 ( -2.487 6.958 -0.413) 7.401 3.122 ( -2.847 0.117 -1.544) 3.241 3.206 ( 0.104 -0.419 -1.034) 1.120 3.280 ( -0.833 -3.418 -0.140) 3.521 3.566 ( -0.259 -0.737 -0.706) 1.053 3.620 ( -2.590 -4.582 -5.686) 7.748 4.024 ( 3.047 4.972 2.206) 6.235 4.088 ( 3.807 -0.926 -1.440) 4.174 4.198 ( 3.646 0.428 4.933) 6.149 4.252 ( 5.249 -4.255 1.868) 7.010 4.434 ( 0.548 0.634 -1.411) 1.641 4.453 ( -0.174 -1.199 -2.438) 2.722 7.081 ( 4.286 10.550 2.594) 11.679 7.285 ( -2.394 -8.915 5.724) 10.861 7.537 ( 3.003 9.139 -2.625) 9.972 7.739 ( 1.234 -9.013 -0.997) 9.152 8.230 ( 2.275 2.907 0.135) 3.694 8.301 ( 3.709 -4.393 0.354) 5.761 8.650 ( 1.427 4.391 -0.179) 4.621 8.707 ( -3.547 0.629 -1.687) 3.978 8.753 ( -4.670 -1.728 -1.101) 5.100 8.800 ( -3.707 -2.304 -2.858) 5.217 8.957 ( -3.100 2.566 1.092) 4.170 9.033 ( -3.123 -3.766 1.104) 5.015 13.454 ( 0.289 9.906 0.428) 9.920 13.705 ( -0.064 -15.414 -0.485) 15.422 14.072 ( 2.665 11.774 -1.843) 12.212 14.321 ( 0.628 -13.630 -1.975) 13.786 15.250 ( 0.305 12.736 0.802) 12.765 15.365 ( 0.757 0.126 3.510) 3.593 15.623 ( -0.486 3.264 4.525) 5.601 15.760 ( 1.334 -9.334 -0.957) 9.478 18.926 ( 4.476 4.093 -2.360) 6.508 19.010 ( 6.260 -3.851 -2.053) 7.631 19.626 ( 5.318 8.481 -4.854) 11.126 19.778 ( 5.123 -7.155 -2.052) 9.036 20.512 ( 1.688 6.477 4.664) 8.158 20.601 ( 2.111 -0.297 2.687) 3.430 21.068 ( -5.887 14.325 -4.643) 16.169 21.408 ( -6.763 -18.692 -0.291) 19.880 23.708 ( 3.696 5.662 2.063) 7.069 23.794 ( 2.898 -3.257 1.842) 4.733 23.989 ( 0.491 1.899 -4.090) 4.536 24.026 ( 0.574 -1.479 -4.929) 5.179 ======================= Grid point 100 (57/129) ======================= q-point: (-0.08 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 0.385 12.240 3.054) 12.621 0.689 ( -6.255 9.265 1.087) 11.232 0.801 ( -0.456 -7.642 3.361) 8.361 0.922 ( -4.147 -10.557 0.046) 11.343 1.204 ( 0.606 1.353 -1.861) 2.379 1.250 ( -0.161 -2.498 -0.913) 2.664 1.331 ( -0.907 0.504 2.543) 2.747 1.392 ( -1.680 -1.781 4.063) 4.743 1.451 ( -2.526 19.133 1.707) 19.374 1.828 ( -2.188 7.053 0.303) 7.391 1.877 ( 1.348 -17.906 0.194) 17.957 1.976 ( -3.692 -7.310 5.021) 9.606 2.373 ( 5.057 3.261 1.416) 6.182 2.440 ( 3.935 -3.538 0.240) 5.297 2.688 ( 2.662 4.586 -1.592) 5.536 2.767 ( 0.688 -2.028 0.627) 2.231 2.942 ( -3.378 6.774 -1.127) 7.653 3.041 ( -2.565 0.966 -3.437) 4.396 3.152 ( -3.604 -0.033 -1.027) 3.748 3.289 ( -0.051 -8.815 0.709) 8.844 3.540 ( -0.100 3.028 -1.225) 3.268 3.619 ( 1.942 -4.159 2.862) 5.409 4.080 ( 1.705 5.342 1.132) 5.720 4.140 ( 2.144 -0.106 -2.649) 3.409 4.256 ( 0.470 0.428 2.146) 2.238 4.317 ( 1.330 -5.040 -1.001) 5.308 4.438 ( 0.374 0.061 -1.150) 1.211 4.446 ( 0.940 -0.683 -0.695) 1.354 7.133 ( -0.759 6.372 4.497) 7.836 7.283 ( -1.022 -7.951 6.289) 10.189 7.595 ( 5.394 11.478 -3.720) 13.216 7.778 ( 2.750 -6.261 -2.559) 7.302 8.251 ( -0.679 3.916 1.840) 4.380 8.350 ( 0.849 -5.749 0.073) 5.811 8.620 ( -2.909 2.803 -0.965) 4.154 8.670 ( -2.739 -2.088 -0.771) 3.529 8.684 ( 1.478 3.353 0.434) 3.690 8.765 ( -0.026 -3.426 -0.235) 3.434 8.907 ( -2.430 1.507 0.470) 2.898 8.972 ( -3.143 -3.636 -0.117) 4.808 13.467 ( 0.689 9.392 1.033) 9.474 13.705 ( 0.263 -14.737 -0.001) 14.740 14.108 ( 1.916 9.722 -2.231) 10.157 14.316 ( -0.270 -11.603 -1.808) 11.746 15.259 ( 0.181 12.517 1.023) 12.560 15.378 ( -1.008 -1.147 1.803) 2.363 15.620 ( -1.731 4.127 3.763) 5.847 15.777 ( 0.765 -10.026 -0.550) 10.070 19.004 ( 3.709 5.440 -0.841) 6.637 19.119 ( 4.695 -5.844 -0.319) 7.503 19.753 ( 10.503 7.477 -6.315) 14.356 19.875 ( 5.984 -5.311 -3.448) 8.712 20.556 ( 1.517 8.169 2.408) 8.650 20.645 ( 2.382 4.332 0.498) 4.969 20.960 ( -3.307 7.590 -1.679) 8.447 21.244 ( -10.753 -17.810 2.106) 20.911 23.818 ( 6.373 3.906 0.508) 7.492 23.864 ( 3.187 -1.078 0.916) 3.487 23.952 ( -2.132 2.444 -5.589) 6.462 24.000 ( -0.752 -2.127 -3.224) 3.935 ======================= Grid point 125 (58/129) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 2.340 0.000 14.269) 14.460 0.631 ( -8.402 0.000 13.597) 15.983 0.876 ( 8.102 0.000 17.196) 19.009 1.058 ( 1.667 0.000 3.277) 3.677 1.128 ( 1.396 0.000 -3.485) 3.754 1.253 ( -3.231 0.000 -0.965) 3.372 1.335 ( -0.354 0.000 1.949) 1.981 1.348 ( -0.405 0.000 -4.075) 4.095 1.484 ( -0.662 0.000 -6.621) 6.654 1.720 ( -1.885 0.000 0.775) 2.038 1.938 ( -14.738 0.000 2.427) 14.937 2.150 ( 3.891 0.000 -5.451) 6.697 2.463 ( -1.653 0.000 0.088) 1.655 2.588 ( 4.422 0.000 4.570) 6.360 2.655 ( -2.733 0.000 2.227) 3.526 2.711 ( 3.633 0.000 -0.740) 3.707 3.007 ( 11.251 0.000 6.320) 12.904 3.232 ( -5.714 0.000 6.950) 8.997 3.293 ( 0.663 0.000 -3.811) 3.868 3.420 ( 8.877 0.000 0.559) 8.895 3.554 ( 1.745 0.000 -3.325) 3.755 3.622 ( -6.061 0.000 -9.391) 11.177 4.096 ( -1.423 0.000 3.230) 3.530 4.131 ( 5.898 0.000 0.070) 5.898 4.231 ( -2.625 0.000 -3.157) 4.105 4.366 ( -0.416 0.000 -5.207) 5.224 4.452 ( 1.489 0.000 -1.190) 1.906 4.461 ( 0.721 0.000 -0.904) 1.156 7.134 ( 2.874 0.000 0.978) 3.036 7.150 ( -3.920 0.000 0.359) 3.936 7.503 ( 4.504 0.000 3.247) 5.553 7.687 ( -4.500 0.000 -2.094) 4.963 8.270 ( -2.472 0.000 2.470) 3.495 8.461 ( 2.835 0.000 -3.338) 4.380 8.619 ( 4.075 0.000 1.866) 4.482 8.719 ( -2.640 0.000 1.439) 3.007 8.744 ( 0.178 0.000 3.598) 3.602 8.885 ( -2.319 0.000 -3.358) 4.080 8.979 ( 1.057 0.000 -0.289) 1.095 9.050 ( 3.272 0.000 -1.224) 3.493 13.407 ( 0.983 0.000 4.866) 4.964 13.753 ( -1.001 0.000 -4.896) 4.997 14.510 ( -0.122 0.000 3.068) 3.071 14.567 ( 3.900 0.000 3.263) 5.085 14.794 ( -15.439 0.000 -2.891) 15.707 14.901 ( 2.093 0.000 -9.284) 9.517 15.709 ( -4.505 0.000 6.828) 8.180 15.986 ( 2.149 0.000 -2.446) 3.256 18.940 ( 0.329 0.000 1.499) 1.534 19.200 ( -2.643 0.000 -4.980) 5.638 19.925 ( -8.679 0.000 -1.097) 8.748 20.005 ( 11.775 0.000 -3.583) 12.308 20.244 ( 43.911 0.000 1.339) 43.931 20.306 ( -13.132 0.000 0.521) 13.142 21.202 ( 8.596 0.000 5.097) 9.994 21.485 ( -22.037 0.000 -2.687) 22.200 23.490 ( -0.284 0.000 3.734) 3.745 23.771 ( 0.704 0.000 -4.155) 4.215 23.983 ( 6.469 0.000 0.144) 6.471 24.030 ( -0.753 0.000 -0.933) 1.199 ======================= Grid point 126 (59/129) ======================= q-point: ( 0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -8.093 0.000 14.297) 16.429 0.753 ( 6.098 0.000 11.290) 12.831 1.085 ( 5.383 0.000 3.245) 6.285 1.137 ( 0.916 0.000 -2.911) 3.051 1.139 ( 4.207 0.000 7.761) 8.828 1.188 ( -2.281 0.000 -1.257) 2.604 1.349 ( 2.001 0.000 -2.883) 3.509 1.367 ( 2.305 0.000 5.547) 6.007 1.472 ( 3.585 0.000 -4.942) 6.105 1.668 ( -3.253 0.000 -1.370) 3.529 1.753 ( -6.078 0.000 4.026) 7.290 2.174 ( 0.519 0.000 -2.380) 2.436 2.424 ( -2.489 0.000 1.580) 2.948 2.589 ( -2.885 0.000 0.474) 2.924 2.673 ( 0.910 0.000 1.424) 1.690 2.790 ( 5.045 0.000 0.347) 5.057 3.152 ( -5.202 0.000 7.561) 9.178 3.205 ( 6.196 0.000 5.803) 8.489 3.238 ( -4.529 0.000 -4.067) 6.088 3.444 ( -7.113 0.000 -9.368) 11.763 3.527 ( 2.637 0.000 -5.253) 5.878 3.565 ( 0.429 0.000 -2.147) 2.190 4.040 ( -5.934 0.000 2.288) 6.360 4.188 ( -0.540 0.000 -1.415) 1.515 4.213 ( 2.372 0.000 -2.451) 3.411 4.323 ( -0.985 0.000 -4.359) 4.469 4.456 ( -1.186 0.000 -1.044) 1.580 4.466 ( 0.768 0.000 -1.837) 1.991 7.087 ( -2.224 0.000 -1.593) 2.736 7.124 ( -3.855 0.000 3.149) 4.978 7.645 ( -0.084 0.000 -1.513) 1.515 7.694 ( 12.653 0.000 2.852) 12.971 8.209 ( -4.530 0.000 2.064) 4.978 8.479 ( 0.569 0.000 -2.386) 2.453 8.566 ( -10.630 0.000 -2.160) 10.847 8.703 ( 2.149 0.000 2.931) 3.635 8.804 ( 5.185 0.000 2.708) 5.850 8.893 ( 2.600 0.000 -0.778) 2.714 9.019 ( 2.965 0.000 0.149) 2.969 9.083 ( 1.533 0.000 -3.236) 3.581 13.440 ( -0.058 0.000 5.293) 5.293 13.691 ( -2.883 0.000 -5.154) 5.906 14.517 ( -0.735 0.000 3.216) 3.299 14.577 ( -6.525 0.000 1.383) 6.670 14.657 ( 3.210 0.000 4.472) 5.505 14.907 ( 3.021 0.000 -9.317) 9.795 15.648 ( -4.948 0.000 6.735) 8.357 16.010 ( 1.287 0.000 -1.750) 2.172 18.953 ( 0.000 0.000 2.226) 2.226 19.125 ( -2.949 0.000 -5.022) 5.824 19.778 ( -5.483 0.000 -2.010) 5.840 20.013 ( -15.038 0.000 -6.834) 16.518 20.187 ( 7.121 0.000 -0.543) 7.142 20.889 ( 23.956 0.000 -9.652) 25.827 21.063 ( -18.248 0.000 3.446) 18.570 21.360 ( 4.332 0.000 7.992) 9.091 23.512 ( 0.872 0.000 3.803) 3.901 23.762 ( 0.219 0.000 -4.283) 4.289 23.999 ( -1.675 0.000 -1.580) 2.303 24.093 ( 4.487 0.000 -2.985) 5.389 ======================= Grid point 127 (60/129) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -2.793 0.000 8.599) 9.041 0.906 ( 5.094 0.000 6.482) 8.244 1.122 ( -0.813 0.000 -1.991) 2.151 1.172 ( 0.261 0.000 -0.400) 0.477 1.173 ( 3.836 0.000 -0.411) 3.858 1.206 ( 1.164 0.000 3.543) 3.729 1.399 ( 4.318 0.000 -2.184) 4.839 1.444 ( 3.517 0.000 2.269) 4.185 1.589 ( -3.590 0.000 -2.945) 4.644 1.602 ( 8.672 0.000 1.292) 8.767 1.716 ( 0.001 0.000 2.445) 2.445 2.151 ( -2.648 0.000 1.455) 3.021 2.395 ( -1.010 0.000 1.904) 2.156 2.522 ( -4.089 0.000 -2.540) 4.814 2.646 ( -3.645 0.000 -2.067) 4.190 2.905 ( 6.495 0.000 0.336) 6.503 3.099 ( -3.850 0.000 8.381) 9.223 3.105 ( -6.145 0.000 -4.161) 7.422 3.284 ( -5.805 0.000 -5.615) 8.076 3.322 ( 3.704 0.000 5.394) 6.544 3.475 ( -4.103 0.000 -9.588) 10.429 3.556 ( -0.392 0.000 -1.419) 1.472 3.899 ( -9.395 0.000 2.412) 9.699 4.183 ( -0.329 0.000 0.989) 1.042 4.191 ( -2.656 0.000 -1.188) 2.910 4.318 ( 1.164 0.000 -2.419) 2.685 4.401 ( -3.818 0.000 -0.959) 3.936 4.467 ( 0.441 0.000 -2.739) 2.774 7.032 ( -2.843 0.000 -4.349) 5.196 7.035 ( -7.156 0.000 4.714) 8.569 7.647 ( 0.726 0.000 -0.422) 0.840 7.974 ( 14.464 0.000 1.937) 14.593 8.136 ( -3.373 0.000 1.609) 3.737 8.346 ( -9.600 0.000 -0.397) 9.608 8.491 ( 0.990 0.000 -2.772) 2.944 8.709 ( -1.819 0.000 1.666) 2.466 8.936 ( 1.682 0.000 -0.245) 1.700 8.963 ( 8.891 0.000 2.684) 9.288 9.080 ( 3.054 0.000 -0.510) 3.096 9.090 ( 0.952 0.000 -3.332) 3.466 13.451 ( -1.199 0.000 5.121) 5.259 13.604 ( -3.655 0.000 -4.781) 6.018 14.508 ( -0.337 0.000 0.345) 0.482 14.527 ( -1.416 0.000 3.203) 3.502 14.714 ( 0.717 0.000 3.176) 3.256 14.935 ( 3.645 0.000 -7.624) 8.451 15.587 ( -4.379 0.000 6.826) 8.110 16.018 ( 0.190 0.000 -1.317) 1.331 18.955 ( -1.038 0.000 1.890) 2.156 19.040 ( -3.620 0.000 -4.507) 5.781 19.693 ( -7.948 0.000 -4.881) 9.327 19.721 ( -4.449 0.000 -7.825) 9.002 20.183 ( -9.625 0.000 7.189) 12.014 20.906 ( 2.335 0.000 1.406) 2.726 21.170 ( 10.996 0.000 -11.387) 15.830 21.432 ( -0.893 0.000 9.337) 9.379 23.556 ( 1.917 0.000 3.643) 4.117 23.741 ( -0.415 0.000 -3.982) 4.004 23.956 ( -1.919 0.000 -1.648) 2.530 24.120 ( 0.096 0.000 -3.335) 3.336 ======================= Grid point 128 (61/129) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 2.130 0.000 -1.301) 2.495 0.993 ( 1.839 0.000 2.182) 2.854 1.088 ( -2.109 0.000 -4.913) 5.347 1.181 ( 0.714 0.000 1.462) 1.627 1.201 ( 0.101 0.000 1.248) 1.252 1.285 ( 5.119 0.000 0.387) 5.133 1.473 ( 2.219 0.000 -0.269) 2.235 1.519 ( 2.824 0.000 2.339) 3.667 1.532 ( 0.815 0.000 -2.854) 2.968 1.749 ( 4.828 0.000 0.131) 4.830 1.752 ( 4.173 0.000 -1.880) 4.577 2.094 ( -4.160 0.000 3.826) 5.653 2.384 ( -8.312 0.000 -5.992) 10.246 2.408 ( 1.601 0.000 0.192) 1.613 2.538 ( -5.627 0.000 -2.532) 6.171 3.006 ( -2.336 0.000 -2.884) 3.711 3.010 ( 2.985 0.000 0.165) 2.989 3.090 ( -0.728 0.000 5.181) 5.232 3.167 ( -4.560 0.000 -2.756) 5.328 3.305 ( -5.368 0.000 -8.553) 10.098 3.428 ( 3.557 0.000 4.854) 6.018 3.542 ( -0.574 0.000 0.055) 0.577 3.720 ( -10.272 0.000 4.595) 11.253 4.131 ( -3.407 0.000 1.027) 3.558 4.175 ( -1.292 0.000 2.218) 2.567 4.279 ( -5.198 0.000 -0.984) 5.291 4.347 ( -0.502 0.000 -1.487) 1.570 4.460 ( 0.246 0.000 -3.293) 3.303 6.896 ( -9.279 0.000 4.838) 10.464 6.925 ( -5.477 0.000 -6.547) 8.535 7.674 ( 1.749 0.000 2.114) 2.743 8.108 ( -0.124 0.000 1.392) 1.397 8.203 ( -5.275 0.000 0.471) 5.296 8.234 ( 10.933 0.000 0.308) 10.937 8.498 ( 0.526 0.000 -1.677) 1.757 8.675 ( -1.363 0.000 0.758) 1.560 8.948 ( -0.087 0.000 -0.567) 0.573 9.098 ( 1.416 0.000 -2.468) 2.846 9.109 ( 1.995 0.000 -1.113) 2.284 9.146 ( 7.006 0.000 0.667) 7.038 13.443 ( -1.758 0.000 4.149) 4.506 13.516 ( -3.306 0.000 -3.924) 5.131 14.507 ( -1.140 0.000 1.888) 2.205 14.529 ( 1.220 0.000 0.825) 1.473 14.719 ( -0.891 0.000 1.238) 1.525 14.962 ( 2.034 0.000 -6.287) 6.608 15.548 ( -2.689 0.000 6.899) 7.404 16.006 ( -0.847 0.000 -1.255) 1.514 18.918 ( -2.728 0.000 -2.062) 3.420 18.947 ( -4.057 0.000 -3.707) 5.495 19.500 ( -4.270 0.000 -8.793) 9.775 19.740 ( 3.895 0.000 0.559) 3.935 19.974 ( -13.789 0.000 9.458) 16.721 21.052 ( 9.755 0.000 -0.618) 9.775 21.266 ( 5.196 0.000 -10.907) 12.082 21.416 ( -4.940 0.000 9.666) 10.855 23.615 ( 2.416 0.000 3.249) 4.049 23.713 ( -0.649 0.000 -3.290) 3.353 23.912 ( -2.032 0.000 -1.334) 2.431 24.081 ( -2.248 0.000 -3.179) 3.894 ======================= Grid point 129 (62/129) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 5.729 0.000 -8.790) 10.492 0.980 ( -4.163 0.000 -11.676) 12.396 1.007 ( -1.971 0.000 3.273) 3.820 1.206 ( 0.779 0.000 2.090) 2.231 1.209 ( 0.010 0.000 2.199) 2.199 1.375 ( 3.685 0.000 -0.432) 3.710 1.483 ( 0.068 0.000 1.952) 1.954 1.563 ( 0.691 0.000 1.895) 2.017 1.589 ( 4.167 0.000 -2.799) 5.020 1.783 ( 1.902 0.000 -3.454) 3.944 1.859 ( 5.931 0.000 -3.721) 7.002 2.037 ( -3.194 0.000 2.581) 4.107 2.193 ( -7.616 0.000 -4.359) 8.775 2.422 ( -5.252 0.000 -0.450) 5.272 2.428 ( 0.858 0.000 -6.169) 6.228 2.942 ( -4.243 0.000 -5.004) 6.560 2.992 ( -7.136 0.000 -3.446) 7.924 3.040 ( 0.396 0.000 -1.451) 1.504 3.108 ( -0.012 0.000 0.790) 0.791 3.302 ( 5.188 0.000 1.024) 5.288 3.528 ( 4.154 0.000 5.042) 6.533 3.544 ( 0.331 0.000 2.044) 2.070 3.569 ( -7.893 0.000 8.185) 11.371 4.068 ( -3.921 0.000 2.583) 4.696 4.154 ( -1.856 0.000 1.920) 2.670 4.160 ( -6.295 0.000 -0.972) 6.369 4.324 ( -1.428 0.000 -1.266) 1.908 4.448 ( 0.044 0.000 -3.155) 3.155 6.734 ( -9.238 0.000 3.717) 9.958 6.785 ( -5.270 0.000 -6.754) 8.567 7.730 ( 2.229 0.000 4.800) 5.293 8.141 ( -1.864 0.000 1.109) 2.169 8.141 ( 2.655 0.000 1.821) 3.220 8.346 ( 0.600 0.000 -1.340) 1.468 8.493 ( -0.359 0.000 -0.670) 0.760 8.704 ( 4.672 0.000 -0.743) 4.730 8.938 ( -0.419 0.000 -1.032) 1.113 9.096 ( -1.398 0.000 -4.759) 4.960 9.121 ( 1.663 0.000 -1.072) 1.978 9.271 ( 4.919 0.000 0.958) 5.012 13.423 ( -1.951 0.000 2.676) 3.312 13.448 ( -2.070 0.000 -2.842) 3.516 14.489 ( -1.842 0.000 3.817) 4.238 14.568 ( 2.613 0.000 -0.861) 2.751 14.699 ( -1.583 0.000 0.778) 1.764 14.952 ( 0.162 0.000 -6.797) 6.799 15.548 ( -0.630 0.000 6.706) 6.735 15.976 ( -1.486 0.000 -1.564) 2.158 18.850 ( -1.408 0.000 -7.249) 7.384 18.853 ( -4.053 0.000 -3.023) 5.056 19.447 ( 0.627 0.000 -2.498) 2.575 19.776 ( -10.629 0.000 8.026) 13.319 19.859 ( 7.178 0.000 3.707) 8.079 21.177 ( 1.692 0.000 -4.151) 4.482 21.332 ( 8.414 0.000 -8.142) 11.709 21.341 ( -7.089 0.000 9.603) 11.936 23.674 ( 2.245 0.000 2.513) 3.370 23.691 ( -0.202 0.000 -2.229) 2.238 23.866 ( -2.270 0.000 -0.937) 2.455 24.017 ( -2.615 0.000 -3.180) 4.117 ======================= Grid point 130 (63/129) ======================= q-point: ( 0.42 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 7.900 0.000 -10.991) 13.535 0.847 ( -3.351 0.000 -12.138) 12.592 0.962 ( -3.695 0.000 2.723) 4.590 1.218 ( -0.439 0.000 2.515) 2.553 1.234 ( 1.154 0.000 3.223) 3.423 1.405 ( -0.349 0.000 -1.384) 1.427 1.486 ( -0.430 0.000 -0.026) 0.431 1.569 ( -0.454 0.000 0.560) 0.721 1.649 ( 3.171 0.000 -1.946) 3.720 1.788 ( 0.328 0.000 -6.537) 6.545 1.939 ( 4.313 0.000 -4.413) 6.171 1.992 ( -0.701 0.000 -4.825) 4.875 2.071 ( -5.410 0.000 1.514) 5.618 2.371 ( -0.181 0.000 4.548) 4.552 2.377 ( -0.789 0.000 -11.900) 11.926 2.817 ( -4.440 0.000 -5.828) 7.327 2.861 ( -4.244 0.000 -4.094) 5.896 3.045 ( 0.027 0.000 -0.618) 0.618 3.149 ( 1.528 0.000 4.680) 4.923 3.407 ( 4.474 0.000 -1.043) 4.593 3.479 ( -4.083 0.000 6.409) 7.599 3.597 ( 2.450 0.000 7.340) 7.738 3.625 ( 3.476 0.000 6.055) 6.982 4.009 ( -3.457 0.000 2.985) 4.567 4.037 ( -5.787 0.000 -1.770) 6.051 4.123 ( -1.825 0.000 0.490) 1.889 4.291 ( -1.193 0.000 -0.411) 1.262 4.436 ( 0.172 0.000 -2.622) 2.628 6.589 ( -6.959 0.000 2.182) 7.293 6.688 ( -1.415 0.000 -5.588) 5.764 7.800 ( 2.158 0.000 7.522) 7.826 8.128 ( -0.420 0.000 1.199) 1.270 8.215 ( 3.537 0.000 1.667) 3.910 8.293 ( -3.869 0.000 -1.116) 4.027 8.486 ( -0.047 0.000 0.384) 0.387 8.794 ( 3.888 0.000 -3.913) 5.516 8.924 ( -0.497 0.000 -1.393) 1.479 9.022 ( -2.964 0.000 -6.340) 6.998 9.152 ( 1.675 0.000 0.505) 1.750 9.338 ( 1.643 0.000 0.054) 1.644 13.393 ( -2.004 0.000 1.277) 2.376 13.413 ( -0.326 0.000 -1.862) 1.890 14.474 ( -1.609 0.000 4.431) 4.714 14.619 ( 3.054 0.000 -0.660) 3.124 14.668 ( -2.031 0.000 1.131) 2.325 14.917 ( 0.033 0.000 -7.933) 7.933 15.580 ( 0.757 0.000 6.445) 6.489 15.938 ( -1.530 0.000 -2.146) 2.636 18.765 ( -3.668 0.000 -2.875) 4.660 18.818 ( 2.014 0.000 -8.934) 9.158 19.475 ( 2.153 0.000 1.780) 2.793 19.642 ( -6.798 0.000 6.182) 9.188 20.037 ( 8.564 0.000 6.827) 10.952 21.104 ( -4.779 0.000 -9.636) 10.756 21.240 ( -7.678 0.000 9.359) 12.105 21.482 ( 8.809 0.000 -4.440) 9.864 23.689 ( 0.800 0.000 -1.017) 1.293 23.717 ( 1.088 0.000 1.362) 1.743 23.819 ( -1.939 0.000 -0.410) 1.982 23.960 ( -1.675 0.000 -3.209) 3.620 ======================= Grid point 131 (64/129) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 7.064 0.000 -9.924) 12.182 0.728 ( -3.508 0.000 -13.052) 13.515 0.946 ( 1.768 0.000 4.176) 4.535 1.203 ( -2.372 0.000 1.115) 2.621 1.278 ( 1.479 0.000 3.454) 3.757 1.359 ( -2.645 0.000 -2.891) 3.918 1.475 ( -0.217 0.000 -0.776) 0.805 1.549 ( -1.941 0.000 -0.175) 1.949 1.691 ( 1.984 0.000 -1.569) 2.529 1.725 ( -2.790 0.000 -7.630) 8.124 1.947 ( -4.107 0.000 0.107) 4.109 1.992 ( 3.467 0.000 -4.873) 5.980 2.001 ( 0.209 0.000 -5.971) 5.975 2.339 ( 2.101 0.000 -9.261) 9.496 2.443 ( 4.259 0.000 6.149) 7.480 2.770 ( -3.370 0.000 -5.667) 6.593 2.782 ( 3.616 0.000 -1.307) 3.845 3.024 ( -1.451 0.000 -3.125) 3.446 3.156 ( -4.196 0.000 6.891) 8.068 3.439 ( -0.194 0.000 -3.807) 3.812 3.492 ( 2.538 0.000 6.763) 7.223 3.701 ( 4.455 0.000 8.215) 9.345 3.730 ( 4.085 0.000 9.164) 10.033 3.923 ( -4.866 0.000 -2.921) 5.675 3.966 ( -1.742 0.000 0.905) 1.963 4.090 ( -1.427 0.000 -1.221) 1.878 4.288 ( 0.972 0.000 0.064) 0.974 4.433 ( 0.634 0.000 -2.180) 2.270 6.494 ( -3.588 0.000 0.869) 3.692 6.690 ( 3.980 0.000 -4.531) 6.031 7.875 ( 1.167 0.000 10.265) 10.331 8.130 ( 0.325 0.000 1.182) 1.226 8.186 ( -4.320 0.000 -1.599) 4.606 8.316 ( 4.058 0.000 1.914) 4.487 8.504 ( 1.623 0.000 1.234) 2.039 8.748 ( -5.879 0.000 -8.462) 10.304 8.901 ( -1.256 0.000 -1.958) 2.326 8.981 ( 1.441 0.000 -4.232) 4.470 9.187 ( 1.342 0.000 1.991) 2.401 9.332 ( -1.935 0.000 -1.237) 2.297 13.359 ( -1.879 0.000 0.459) 1.935 13.419 ( 1.675 0.000 -1.173) 2.045 14.468 ( -1.143 0.000 4.273) 4.423 14.630 ( -2.485 0.000 1.106) 2.720 14.680 ( 3.457 0.000 0.450) 3.487 14.891 ( 1.189 0.000 -8.579) 8.661 15.630 ( 1.302 0.000 6.436) 6.566 15.902 ( -0.995 0.000 -2.851) 3.020 18.690 ( -2.627 0.000 -3.366) 4.270 18.840 ( 3.953 0.000 -8.326) 9.217 19.543 ( 3.667 0.000 4.088) 5.491 19.566 ( -3.815 0.000 4.671) 6.031 20.237 ( 8.121 0.000 9.525) 12.517 20.924 ( -8.452 0.000 -12.779) 15.321 21.135 ( -7.433 0.000 8.604) 11.370 21.616 ( 7.000 0.000 -3.505) 7.828 23.709 ( -2.311 0.000 0.046) 2.312 23.712 ( 1.750 0.000 -0.055) 1.751 23.808 ( 0.877 0.000 0.352) 0.945 23.927 ( -0.268 0.000 -3.326) 3.337 ======================= Grid point 132 (65/129) ======================= q-point: (-0.42 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 0.642 0.000 -12.492) 12.509 0.769 ( 1.389 0.000 -10.539) 10.630 1.060 ( 6.922 0.000 5.426) 8.795 1.133 ( -3.967 0.000 -1.651) 4.297 1.298 ( -1.194 0.000 1.228) 1.713 1.310 ( -1.086 0.000 -1.250) 1.656 1.474 ( -0.041 0.000 1.009) 1.010 1.487 ( -4.662 0.000 1.199) 4.814 1.651 ( -1.406 0.000 -5.674) 5.846 1.703 ( -0.033 0.000 -1.809) 1.809 1.885 ( -2.095 0.000 2.868) 3.551 1.979 ( 1.000 0.000 -9.714) 9.765 2.030 ( 2.912 0.000 -4.241) 5.145 2.363 ( 3.440 0.000 -5.478) 6.469 2.589 ( 8.704 0.000 4.355) 9.733 2.677 ( -3.658 0.000 -5.645) 6.726 2.924 ( 9.068 0.000 2.108) 9.310 2.965 ( -2.344 0.000 -5.522) 5.999 3.073 ( -6.581 0.000 7.538) 10.006 3.372 ( -4.428 0.000 -4.455) 6.281 3.611 ( 5.488 0.000 7.847) 9.575 3.814 ( -3.281 0.000 -4.087) 5.241 3.827 ( 4.674 0.000 6.659) 8.136 3.866 ( 3.036 0.000 11.084) 11.493 3.962 ( 2.118 0.000 -2.225) 3.072 4.068 ( 0.391 0.000 -1.812) 1.854 4.321 ( 2.440 0.000 -1.168) 2.705 4.438 ( 0.819 0.000 -2.197) 2.344 6.461 ( 0.036 0.000 0.136) 0.141 6.795 ( 8.725 0.000 -4.054) 9.621 7.912 ( -2.980 0.000 11.264) 11.652 8.104 ( -3.467 0.000 -1.398) 3.738 8.171 ( 3.697 0.000 1.886) 4.150 8.398 ( 3.677 0.000 0.422) 3.701 8.551 ( -9.648 0.000 -8.130) 12.617 8.558 ( 3.085 0.000 2.268) 3.829 8.857 ( -2.260 0.000 -2.643) 3.478 8.996 ( 1.355 0.000 -3.617) 3.862 9.214 ( 0.122 0.000 2.687) 2.690 9.256 ( -5.031 0.000 -2.165) 5.477 13.329 ( -1.433 0.000 0.415) 1.492 13.466 ( 3.596 0.000 -0.871) 3.700 14.468 ( -0.757 0.000 3.546) 3.626 14.584 ( -2.610 0.000 0.352) 2.633 14.758 ( 4.085 0.000 2.213) 4.646 14.885 ( 2.153 0.000 -8.526) 8.793 15.684 ( 1.185 0.000 6.680) 6.785 15.877 ( -0.046 0.000 -3.521) 3.521 18.640 ( -0.564 0.000 -4.099) 4.137 18.879 ( 3.342 0.000 -6.746) 7.529 19.527 ( -2.460 0.000 3.296) 4.113 19.661 ( 6.530 0.000 5.488) 8.530 20.424 ( 6.081 0.000 11.612) 13.108 20.674 ( -10.708 0.000 -15.026) 18.451 21.033 ( -6.862 0.000 6.692) 9.585 21.722 ( 5.692 0.000 -2.993) 6.431 23.651 ( -3.312 0.000 0.129) 3.315 23.751 ( 2.060 0.000 0.351) 2.090 23.839 ( 2.021 0.000 0.222) 2.033 23.917 ( 0.827 0.000 -3.722) 3.813 ======================= Grid point 133 (66/129) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -7.406 0.000 -13.232) 15.163 0.657 ( 6.483 0.000 -8.856) 10.975 1.073 ( -1.919 0.000 0.327) 1.946 1.220 ( 0.707 0.000 1.695) 1.837 1.242 ( 1.238 0.000 3.346) 3.568 1.310 ( 0.846 0.000 1.435) 1.666 1.389 ( -6.630 0.000 3.814) 7.648 1.469 ( -1.815 0.000 3.003) 3.508 1.613 ( -0.395 0.000 -4.592) 4.609 1.692 ( 0.308 0.000 -1.717) 1.744 1.881 ( 1.037 0.000 -3.180) 3.345 1.983 ( 3.453 0.000 -3.469) 4.894 2.081 ( 4.145 0.000 -1.694) 4.478 2.412 ( 3.631 0.000 -3.649) 5.148 2.580 ( -4.084 0.000 -2.962) 5.045 2.797 ( 10.448 0.000 2.132) 10.663 2.896 ( -1.965 0.000 -6.159) 6.465 2.947 ( -6.414 0.000 6.172) 8.901 3.147 ( 9.386 0.000 2.491) 9.711 3.248 ( -5.824 0.000 -4.617) 7.432 3.717 ( -3.927 0.000 -6.023) 7.190 3.747 ( 4.454 0.000 7.690) 8.887 3.917 ( 2.831 0.000 0.773) 2.935 3.937 ( -0.216 0.000 7.415) 7.418 4.061 ( 7.820 0.000 0.146) 7.822 4.111 ( 4.212 0.000 1.641) 4.521 4.364 ( 2.846 0.000 -2.548) 3.820 4.440 ( 0.423 0.000 -2.730) 2.762 6.500 ( 3.941 0.000 0.277) 3.951 6.972 ( 10.948 0.000 -3.654) 11.542 7.875 ( -4.999 0.000 10.390) 11.530 8.026 ( -4.604 0.000 -2.620) 5.297 8.278 ( 5.750 0.000 2.183) 6.150 8.335 ( -7.850 0.000 -5.683) 9.692 8.461 ( 2.296 0.000 0.312) 2.317 8.634 ( 3.143 0.000 3.545) 4.738 8.791 ( -3.185 0.000 -2.856) 4.278 8.997 ( 0.371 0.000 -2.989) 3.012 9.131 ( -6.643 0.000 -1.968) 6.928 9.210 ( -1.811 0.000 2.291) 2.920 13.311 ( -0.668 0.000 0.982) 1.188 13.545 ( 4.937 0.000 -1.019) 5.041 14.470 ( -0.452 0.000 2.829) 2.865 14.536 ( -2.330 0.000 -0.458) 2.375 14.859 ( 5.021 0.000 4.116) 6.492 14.892 ( 2.450 0.000 -8.336) 8.688 15.732 ( 0.528 0.000 7.005) 7.025 15.870 ( 1.086 0.000 -3.999) 4.144 18.636 ( 2.193 0.000 -4.282) 4.811 18.903 ( 1.797 0.000 -4.749) 5.078 19.490 ( -2.733 0.000 1.649) 3.192 19.841 ( 9.101 0.000 6.653) 11.274 20.391 ( -11.121 0.000 -15.959) 19.451 20.562 ( 2.011 0.000 13.020) 13.174 20.935 ( -5.289 0.000 3.093) 6.127 21.811 ( 4.906 0.000 -2.749) 5.624 23.590 ( -3.132 0.000 0.739) 3.218 23.789 ( 1.672 0.000 0.157) 1.679 23.886 ( 2.660 0.000 0.274) 2.674 23.919 ( 1.083 0.000 -4.399) 4.531 ======================= Grid point 134 (67/129) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -10.460 0.000 -8.838) 13.694 0.742 ( 2.895 0.000 -2.280) 3.685 1.049 ( -1.348 0.000 1.880) 2.313 1.109 ( -4.670 0.000 -2.755) 5.422 1.251 ( -9.468 0.000 6.778) 11.644 1.350 ( 1.060 0.000 2.463) 2.681 1.374 ( 4.280 0.000 1.560) 4.555 1.432 ( -2.939 0.000 4.095) 5.041 1.587 ( -0.218 0.000 -4.888) 4.893 1.698 ( 0.454 0.000 0.166) 0.483 1.906 ( 4.460 0.000 -7.290) 8.546 2.082 ( 6.701 0.000 2.717) 7.231 2.174 ( 4.847 0.000 2.905) 5.650 2.445 ( 0.995 0.000 -5.636) 5.724 2.534 ( 1.290 0.000 0.652) 1.446 2.834 ( -1.986 0.000 -4.496) 4.915 2.843 ( -5.680 0.000 5.621) 7.992 3.003 ( 9.118 0.000 -0.264) 9.122 3.120 ( -5.307 0.000 -3.123) 6.158 3.321 ( 7.742 0.000 -0.093) 7.743 3.609 ( -4.455 0.000 -6.393) 7.792 3.829 ( 1.359 0.000 2.544) 2.884 3.957 ( -0.652 0.000 6.081) 6.115 3.972 ( 3.328 0.000 -0.149) 3.331 4.215 ( 7.808 0.000 -0.534) 7.826 4.216 ( 4.660 0.000 3.425) 5.783 4.402 ( 2.261 0.000 -3.155) 3.881 4.428 ( -0.166 0.000 -3.525) 3.529 6.616 ( 7.757 0.000 1.105) 7.835 7.150 ( 8.079 0.000 -2.752) 8.535 7.848 ( -1.671 0.000 9.094) 9.246 7.869 ( -9.611 0.000 -4.561) 10.638 8.235 ( -1.398 0.000 0.403) 1.455 8.386 ( 4.344 0.000 -0.759) 4.410 8.494 ( 1.353 0.000 -1.401) 1.948 8.687 ( -0.560 0.000 -2.146) 2.217 8.735 ( -0.267 0.000 5.610) 5.616 8.980 ( -3.352 0.000 -0.611) 3.408 9.001 ( -3.632 0.000 -1.984) 4.138 9.164 ( -3.639 0.000 1.069) 3.793 13.313 ( 0.184 0.000 1.836) 1.845 13.639 ( 5.263 0.000 -1.613) 5.505 14.476 ( -0.185 0.000 2.518) 2.525 14.494 ( -1.624 0.000 -0.763) 1.795 14.901 ( 2.337 0.000 -8.292) 8.615 14.989 ( 6.292 0.000 4.818) 7.925 15.765 ( -0.566 0.000 7.231) 7.253 15.882 ( 2.111 0.000 -4.131) 4.639 18.689 ( 4.886 0.000 -2.113) 5.323 18.910 ( 0.924 0.000 -2.740) 2.891 19.432 ( -3.635 0.000 -0.252) 3.644 20.050 ( 8.373 0.000 7.987) 11.571 20.120 ( -9.283 0.000 -14.905) 17.559 20.598 ( -4.255 0.000 11.952) 12.686 20.878 ( -0.824 0.000 -0.306) 0.879 21.884 ( 3.911 0.000 -3.198) 5.052 23.540 ( -2.595 0.000 1.609) 3.053 23.813 ( 0.911 0.000 -0.699) 1.149 23.913 ( 0.335 0.000 -4.743) 4.755 23.942 ( 2.957 0.000 0.523) 3.002 ======================= Grid point 135 (68/129) ======================= q-point: (-0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( 1.127 0.000 13.629) 13.676 0.691 ( -7.991 0.000 5.845) 9.901 1.033 ( -1.409 0.000 1.247) 1.882 1.077 ( 2.553 0.000 -4.885) 5.512 1.078 ( -11.985 0.000 10.451) 15.901 1.361 ( -2.870 0.000 -0.011) 2.870 1.367 ( -0.544 0.000 1.630) 1.718 1.437 ( -0.135 0.000 -0.991) 1.000 1.560 ( -0.155 0.000 -5.716) 5.718 1.714 ( 0.560 0.000 2.625) 2.684 1.983 ( 6.545 0.000 -7.176) 9.713 2.252 ( 8.559 0.000 5.448) 10.146 2.284 ( 4.310 0.000 6.726) 7.988 2.435 ( 0.572 0.000 -2.365) 2.434 2.568 ( 0.920 0.000 -7.592) 7.647 2.768 ( -4.631 0.000 5.006) 6.820 2.796 ( -0.419 0.000 0.022) 0.419 3.047 ( -0.696 0.000 3.732) 3.796 3.154 ( 7.189 0.000 -2.675) 7.670 3.442 ( 5.523 0.000 -2.095) 5.907 3.490 ( -5.463 0.000 -3.797) 6.652 3.826 ( -1.007 0.000 -4.316) 4.432 3.975 ( -0.029 0.000 6.131) 6.131 4.038 ( 2.581 0.000 2.546) 3.625 4.298 ( 1.995 0.000 2.261) 3.016 4.340 ( 5.516 0.000 -3.030) 6.293 4.408 ( 0.248 0.000 -3.872) 3.879 4.421 ( 1.281 0.000 -2.641) 2.936 6.798 ( 10.095 0.000 1.626) 10.225 7.231 ( 1.242 0.000 -0.733) 1.442 7.660 ( -9.536 0.000 -2.430) 9.841 7.890 ( 1.296 0.000 3.991) 4.197 8.250 ( 1.272 0.000 2.693) 2.978 8.405 ( -0.388 0.000 -6.441) 6.453 8.507 ( 1.257 0.000 -2.083) 2.433 8.659 ( 0.214 0.000 1.970) 1.982 8.811 ( 3.525 0.000 8.072) 8.808 8.863 ( -6.337 0.000 1.794) 6.586 8.981 ( -0.150 0.000 -1.413) 1.421 9.086 ( -4.415 0.000 -0.597) 4.455 13.333 ( 0.792 0.000 2.796) 2.906 13.723 ( 4.192 0.000 -2.645) 4.957 14.473 ( -0.113 0.000 -0.191) 0.222 14.486 ( -0.032 0.000 2.566) 2.566 14.906 ( 2.066 0.000 -8.446) 8.695 15.123 ( 5.072 0.000 0.077) 5.073 15.774 ( -1.950 0.000 7.245) 7.502 15.912 ( 2.791 0.000 -3.772) 4.693 18.834 ( 10.991 0.000 7.574) 13.348 18.917 ( 0.667 0.000 -0.964) 1.172 19.354 ( -3.727 0.000 -1.992) 4.226 19.926 ( -3.890 0.000 -11.387) 12.033 20.179 ( -0.376 0.000 7.258) 7.268 20.548 ( -4.411 0.000 9.183) 10.188 20.899 ( 3.365 0.000 -1.261) 3.594 21.917 ( 0.747 0.000 -5.227) 5.280 23.506 ( -1.954 0.000 2.551) 3.213 23.814 ( -0.141 0.000 -2.925) 2.928 23.892 ( -0.473 0.000 -2.568) 2.611 23.998 ( 2.375 0.000 0.524) 2.432 ======================= Grid point 136 (69/129) ======================= q-point: (-0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 9.342 0.000 19.698) 21.801 0.577 ( -6.094 0.000 11.961) 13.424 0.878 ( -12.272 0.000 12.449) 17.481 1.033 ( -0.320 0.000 2.763) 2.782 1.110 ( 2.395 0.000 -4.144) 4.787 1.308 ( -2.599 0.000 0.132) 2.602 1.349 ( -1.446 0.000 0.779) 1.642 1.397 ( -2.046 0.000 -4.511) 4.953 1.527 ( -0.538 0.000 -6.239) 6.262 1.732 ( -0.231 0.000 2.448) 2.459 2.078 ( 6.233 0.000 -6.701) 9.152 2.237 ( -12.811 0.000 -2.368) 13.028 2.440 ( 7.824 0.000 5.918) 9.810 2.479 ( 1.603 0.000 -4.179) 4.476 2.591 ( 8.287 0.000 3.554) 9.017 2.708 ( -3.802 0.000 3.801) 5.376 2.812 ( 2.978 0.000 3.272) 4.424 3.166 ( 8.143 0.000 9.056) 12.179 3.255 ( 4.698 0.000 -3.594) 5.915 3.372 ( -5.535 0.000 1.062) 5.636 3.517 ( 3.594 0.000 -3.179) 4.798 3.755 ( -3.516 0.000 -7.924) 8.669 4.025 ( 3.084 0.000 4.715) 5.634 4.085 ( 0.847 0.000 3.186) 3.297 4.293 ( -2.126 0.000 -1.744) 2.750 4.382 ( 1.189 0.000 -5.037) 5.176 4.422 ( 2.080 0.000 -1.557) 2.598 4.443 ( 1.760 0.000 -1.286) 2.180 6.999 ( 9.548 0.000 1.105) 9.612 7.214 ( -2.558 0.000 0.709) 2.654 7.509 ( -5.221 0.000 0.962) 5.309 7.835 ( -7.328 0.000 -3.383) 8.071 8.280 ( 0.033 0.000 2.943) 2.943 8.404 ( 3.736 0.000 -3.842) 5.359 8.542 ( 3.315 0.000 -0.702) 3.388 8.698 ( 1.681 0.000 3.329) 3.729 8.770 ( -4.311 0.000 3.377) 5.476 8.923 ( 3.362 0.000 3.912) 5.158 8.974 ( -0.037 0.000 -0.726) 0.727 9.005 ( -2.214 0.000 -1.333) 2.584 13.366 ( 1.061 0.000 3.910) 4.051 13.767 ( 1.727 0.000 -3.938) 4.300 14.495 ( 2.215 0.000 1.335) 2.586 14.498 ( 0.004 0.000 2.792) 2.792 14.905 ( 1.877 0.000 -8.804) 9.002 15.091 ( -8.251 0.000 -8.908) 12.142 15.755 ( -3.380 0.000 7.059) 7.827 15.951 ( 2.784 0.000 -3.167) 4.217 18.927 ( 0.528 0.000 0.450) 0.694 19.268 ( 1.938 0.000 -2.588) 3.233 19.322 ( 30.298 0.000 18.415) 35.456 19.893 ( 4.923 0.000 -7.077) 8.621 20.097 ( -8.620 0.000 2.206) 8.897 20.489 ( -7.371 0.000 7.052) 10.201 21.013 ( 8.602 0.000 0.809) 8.640 21.821 ( -9.042 0.000 -7.754) 11.911 23.488 ( -1.224 0.000 3.319) 3.538 23.785 ( -0.542 0.000 -4.124) 4.160 23.896 ( 1.810 0.000 1.142) 2.140 24.031 ( 0.874 0.000 -0.034) 0.874 ======================= Grid point 137 (70/129) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -4.437 3.833 11.190) 12.633 0.768 ( 5.317 5.442 13.777) 15.738 0.971 ( 1.447 2.852 3.932) 5.068 1.040 ( 1.455 -2.089 4.983) 5.595 1.139 ( 0.428 2.663 -1.190) 2.948 1.215 ( 0.190 2.888 6.039) 6.697 1.259 ( -0.851 -1.501 -1.284) 2.151 1.379 ( -0.626 -5.395 -1.977) 5.780 1.518 ( -1.224 2.581 -4.552) 5.374 1.644 ( -2.705 -1.426 0.818) 3.165 1.981 ( -10.995 1.807 2.655) 11.454 2.147 ( 3.519 -2.797 -3.217) 5.528 2.477 ( -0.194 1.333 -1.076) 1.724 2.552 ( 2.245 -1.548 2.031) 3.400 2.702 ( -4.199 4.217 1.324) 6.096 2.718 ( 5.125 -0.049 0.199) 5.129 2.946 ( 7.548 -4.183 5.045) 9.996 3.147 ( 1.651 -5.802 3.993) 7.234 3.252 ( 1.091 -9.366 0.138) 9.431 3.426 ( -1.057 3.394 0.578) 3.601 3.490 ( 3.512 -2.768 -1.725) 4.793 3.706 ( -1.057 4.651 -6.093) 7.738 4.075 ( 2.367 -3.708 1.351) 4.602 4.098 ( -0.740 0.205 2.601) 2.712 4.223 ( -2.254 -0.259 -2.441) 3.332 4.325 ( -1.119 -3.559 -4.987) 6.228 4.451 ( 1.950 0.069 -0.293) 1.973 4.468 ( 0.541 0.250 -0.863) 1.049 7.113 ( -2.236 2.573 3.648) 4.993 7.322 ( -1.119 10.438 -2.300) 10.746 7.532 ( 5.494 1.956 2.957) 6.539 7.714 ( -3.168 2.384 -2.169) 4.519 8.273 ( -2.931 -0.132 2.548) 3.886 8.428 ( 2.092 -3.619 -1.799) 4.551 8.616 ( 3.026 0.434 1.218) 3.291 8.703 ( 1.564 -3.160 3.323) 4.845 8.730 ( -1.752 1.289 0.945) 2.371 8.826 ( -1.203 -4.800 -1.538) 5.182 8.936 ( -0.147 -4.469 -0.365) 4.486 8.992 ( 2.170 -4.118 -0.577) 4.691 13.436 ( 0.976 3.215 4.566) 5.669 13.787 ( -0.254 1.957 -6.083) 6.395 14.183 ( 1.204 -14.346 4.628) 15.122 14.483 ( -3.369 -14.655 -3.190) 15.372 14.967 ( 2.253 19.610 1.181) 19.775 15.151 ( -6.218 11.891 -5.516) 14.508 15.684 ( -4.498 -2.341 6.060) 7.902 15.930 ( 2.049 -5.700 -2.102) 6.411 18.955 ( 0.667 2.249 1.343) 2.703 19.199 ( -2.276 -1.024 -4.466) 5.116 19.839 ( 2.944 -4.668 -0.730) 5.567 19.956 ( 4.427 -4.361 -3.632) 7.198 20.409 ( -3.277 9.672 0.125) 10.213 20.455 ( 21.029 15.496 -1.837) 26.186 21.134 ( 7.398 -6.657 4.672) 10.994 21.346 ( -17.581 -11.722 0.555) 21.138 23.600 ( -2.008 8.366 -0.851) 8.646 23.780 ( 0.152 0.708 -3.914) 3.980 23.983 ( 5.542 -0.001 0.096) 5.543 24.022 ( 0.324 -0.732 -0.860) 1.175 ======================= Grid point 138 (71/129) ======================= q-point: ( 0.08 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -3.270 5.424 10.462) 12.230 0.911 ( 4.546 9.948 9.765) 14.663 1.036 ( 3.013 -4.744 1.166) 5.739 1.095 ( 1.896 -2.411 3.367) 4.554 1.154 ( 1.570 0.497 -1.264) 2.076 1.230 ( -0.340 1.701 0.053) 1.736 1.309 ( 3.418 4.521 4.283) 7.104 1.392 ( 3.819 -3.729 3.473) 6.368 1.477 ( -0.969 -2.660 -3.432) 4.449 1.606 ( -0.410 3.552 -1.483) 3.871 1.836 ( -5.421 4.075 2.506) 7.230 2.173 ( 0.197 -1.911 -1.068) 2.198 2.444 ( -2.051 2.315 -0.304) 3.108 2.582 ( -0.349 -6.998 0.598) 7.032 2.630 ( -3.479 3.288 -0.587) 4.823 2.809 ( 4.616 0.928 0.995) 4.812 3.062 ( 2.490 -7.945 2.004) 8.564 3.138 ( -3.807 -1.300 6.687) 7.804 3.242 ( -2.235 -7.682 -5.541) 9.732 3.417 ( -0.376 2.689 0.932) 2.871 3.541 ( 2.750 0.397 -2.824) 3.961 3.654 ( -1.530 6.691 -6.523) 9.469 4.022 ( -5.695 -1.708 0.786) 5.997 4.152 ( 2.282 -5.287 0.284) 5.765 4.191 ( -0.468 -0.289 0.159) 0.572 4.262 ( -2.848 -3.670 -4.231) 6.283 4.456 ( -1.097 0.479 -0.903) 1.499 4.486 ( 1.463 0.626 -1.317) 2.065 7.077 ( -2.687 2.399 2.560) 4.419 7.253 ( -4.775 8.106 0.538) 9.423 7.636 ( 1.205 -0.211 1.557) 1.980 7.736 ( 7.704 2.666 -1.502) 8.289 8.206 ( -4.672 -0.001 1.951) 5.063 8.443 ( -0.887 -4.256 -0.596) 4.389 8.596 ( -5.026 3.813 -2.412) 6.754 8.715 ( 2.282 1.346 2.192) 3.439 8.765 ( 3.749 -2.713 2.149) 5.102 8.858 ( 3.337 -3.156 -0.008) 4.593 8.957 ( 2.439 -5.662 -0.305) 6.172 9.036 ( 2.836 -4.362 -1.847) 5.521 13.468 ( -0.000 3.117 4.846) 5.762 13.742 ( -1.504 3.814 -6.259) 7.482 14.221 ( 0.432 -15.348 4.931) 16.126 14.416 ( -1.813 -10.500 -2.567) 10.961 14.990 ( -1.606 17.079 0.915) 17.179 15.074 ( 1.515 13.111 -3.265) 13.596 15.620 ( -4.847 -2.457 5.983) 8.082 15.955 ( 1.288 -5.660 -1.376) 5.965 18.959 ( -0.997 1.270 1.885) 2.482 19.124 ( -3.282 -0.523 -4.525) 5.614 19.767 ( -4.851 -1.123 -1.900) 5.329 19.887 ( -9.287 -7.421 -5.383) 13.050 20.390 ( 2.186 15.103 -0.316) 15.264 20.895 ( 19.526 0.829 -8.323) 21.242 21.023 ( -14.294 -3.385 3.585) 15.120 21.283 ( 5.317 -7.946 6.451) 11.534 23.571 ( -0.814 5.103 1.830) 5.482 23.761 ( -0.388 -0.323 -3.530) 3.566 24.000 ( -1.017 0.307 -1.517) 1.852 24.084 ( 3.784 -0.988 -2.805) 4.813 ======================= Grid point 139 (72/129) ======================= q-point: ( 0.17 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -1.224 7.552 6.066) 9.764 1.022 ( 3.279 8.159 3.077) 9.316 1.074 ( -0.073 -4.758 1.055) 4.874 1.150 ( 3.167 -0.353 0.727) 3.269 1.189 ( 2.645 0.529 -1.224) 2.962 1.238 ( 1.351 1.692 0.855) 2.328 1.368 ( 3.413 0.731 -0.463) 3.521 1.455 ( -0.221 -4.606 -0.479) 4.636 1.527 ( 3.607 -0.324 7.857) 8.651 1.639 ( 6.017 5.312 -4.604) 9.253 1.779 ( -1.633 3.711 1.165) 4.218 2.152 ( -2.413 -0.743 2.174) 3.332 2.414 ( -0.850 2.022 0.577) 2.268 2.540 ( -3.707 -2.461 -2.178) 4.954 2.554 ( -4.123 -4.225 -2.797) 6.532 2.898 ( 3.392 -2.693 0.956) 4.435 3.069 ( -3.175 -6.783 2.823) 8.004 3.088 ( -2.726 -0.378 3.955) 4.819 3.150 ( -2.627 -1.794 -5.643) 6.478 3.426 ( 0.560 3.096 1.118) 3.339 3.533 ( -2.820 5.191 -6.952) 9.123 3.600 ( -0.499 4.026 -2.706) 4.876 3.890 ( -8.276 -0.658 1.725) 8.479 4.144 ( -2.532 -2.435 1.162) 3.700 4.190 ( -2.379 -1.001 0.241) 2.592 4.214 ( 0.815 -8.593 -1.673) 8.793 4.416 ( -2.384 1.742 -1.099) 3.151 4.495 ( 0.342 1.158 -2.169) 2.482 7.030 ( -3.454 3.160 1.535) 4.926 7.148 ( -6.468 7.210 0.329) 9.692 7.645 ( -0.085 -0.367 0.846) 0.926 7.895 ( 7.116 -7.305 0.359) 10.204 8.141 ( -1.379 2.241 0.153) 2.636 8.360 ( -6.253 -1.368 1.048) 6.486 8.553 ( 1.133 6.514 -2.616) 7.110 8.731 ( -0.893 2.445 1.140) 2.842 8.867 ( 3.688 -4.970 0.691) 6.227 8.934 ( 4.960 -2.927 1.280) 5.900 9.014 ( 3.473 -5.223 -1.078) 6.365 9.088 ( 3.715 -1.961 -1.657) 4.516 13.478 ( -1.256 3.200 4.674) 5.802 13.678 ( -2.129 6.167 -5.760) 8.703 14.241 ( -0.671 -16.291 5.060) 17.072 14.391 ( 0.436 -9.370 -3.632) 10.058 14.953 ( -1.256 12.753 -1.765) 12.936 15.120 ( 2.639 14.821 -0.038) 15.054 15.558 ( -4.268 -2.362 6.081) 7.796 15.965 ( 0.202 -5.475 -0.941) 5.559 18.932 ( -2.403 -1.265 0.240) 2.726 19.034 ( -4.129 -1.046 -3.446) 5.479 19.657 ( -9.232 -3.148 -8.325) 12.823 19.693 ( -2.022 -1.449 -0.603) 2.560 20.340 ( -9.738 13.467 5.705) 17.571 20.927 ( 3.106 1.186 0.777) 3.415 21.105 ( 7.411 -4.659 -6.975) 11.193 21.397 ( 3.682 -4.334 4.575) 7.299 23.585 ( 1.005 2.743 2.891) 4.110 23.737 ( -0.571 -0.643 -2.765) 2.895 23.965 ( -1.725 1.055 -2.012) 2.853 24.104 ( -0.077 -1.649 -3.348) 3.732 ======================= Grid point 140 (73/129) ======================= q-point: ( 0.25 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 1.002 7.140 -1.002) 7.279 1.050 ( -1.316 -1.891 0.103) 2.306 1.058 ( 0.121 2.066 -4.232) 4.711 1.179 ( -0.426 0.191 -1.594) 1.661 1.261 ( 4.721 3.777 0.831) 6.103 1.297 ( 3.626 1.320 1.162) 4.030 1.422 ( 1.669 -4.524 -0.810) 4.889 1.478 ( 3.336 1.723 0.629) 3.807 1.590 ( 0.907 2.544 4.255) 5.040 1.754 ( 6.411 1.076 -4.228) 7.754 1.775 ( 0.366 2.041 0.598) 2.158 2.111 ( -3.131 1.354 4.562) 5.696 2.399 ( -8.128 1.055 -5.880) 10.087 2.418 ( 0.490 -0.556 -0.799) 1.090 2.466 ( -3.521 -5.160 -2.670) 6.794 2.914 ( -1.275 -10.452 -1.687) 10.664 3.006 ( -3.687 -3.129 2.384) 5.391 3.056 ( -1.957 0.537 1.024) 2.273 3.154 ( 3.752 2.950 -0.604) 4.811 3.359 ( -5.841 1.895 -7.565) 9.743 3.498 ( 1.725 6.354 2.426) 7.017 3.587 ( -0.439 3.613 -0.888) 3.746 3.738 ( -8.503 2.006 4.427) 9.794 4.093 ( -3.355 -3.387 2.484) 5.376 4.140 ( -3.041 -3.155 1.266) 4.561 4.203 ( -1.930 -6.886 -0.698) 7.185 4.369 ( -1.676 2.484 -1.206) 3.230 4.480 ( -0.672 0.851 -2.765) 2.970 6.946 ( -6.496 5.448 2.781) 8.922 7.011 ( -6.644 7.340 -3.553) 10.519 7.651 ( -0.065 -2.269 2.867) 3.656 7.968 ( 0.720 -12.238 1.388) 12.338 8.177 ( 3.673 2.227 -2.164) 4.810 8.279 ( -1.639 -0.742 1.676) 2.459 8.564 ( 0.108 5.370 -0.825) 5.434 8.719 ( 0.047 4.178 0.006) 4.178 8.895 ( 0.257 -4.315 -1.347) 4.528 9.027 ( 3.359 -4.942 -0.421) 5.990 9.078 ( 3.466 -2.637 -0.612) 4.398 9.171 ( 5.230 0.077 -0.648) 5.270 13.464 ( -2.063 3.390 3.769) 5.473 13.615 ( -1.860 8.062 -4.743) 9.537 14.241 ( -1.723 -16.644 5.027) 17.472 14.393 ( 1.569 -10.452 -4.587) 11.522 14.930 ( -0.396 12.223 -1.735) 12.352 15.156 ( 0.929 14.714 -0.231) 14.745 15.517 ( -2.749 -2.589 6.182) 7.244 15.954 ( -0.876 -5.326 -0.925) 5.477 18.872 ( -2.716 -3.036 -3.590) 5.430 18.933 ( -4.808 -2.051 -2.997) 6.026 19.503 ( -3.152 0.831 -6.040) 6.864 19.681 ( -0.054 -3.762 1.976) 4.250 20.154 ( -10.319 14.589 6.680) 19.077 21.012 ( 1.733 -7.636 1.614) 7.995 21.200 ( 7.617 0.095 -5.660) 9.490 21.456 ( 0.925 0.765 1.937) 2.279 23.629 ( 1.994 1.427 2.913) 3.808 23.716 ( -0.380 0.043 -2.076) 2.111 23.918 ( -2.195 0.844 -1.872) 3.006 24.062 ( -2.336 -1.876 -3.319) 4.471 ======================= Grid point 141 (74/129) ======================= q-point: ( 0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 3.416 4.948 -7.102) 9.305 0.999 ( -2.224 1.071 -8.542) 8.892 1.032 ( -0.985 -0.022 -1.898) 2.139 1.152 ( -1.091 -0.512 -0.322) 1.248 1.330 ( 1.571 6.346 2.225) 6.906 1.367 ( 3.108 -1.867 -1.429) 3.897 1.453 ( 1.536 -1.765 1.469) 2.763 1.550 ( 2.871 1.992 -0.371) 3.514 1.606 ( -0.336 0.583 1.615) 1.749 1.776 ( 0.088 0.207 -2.627) 2.637 1.837 ( 3.786 -1.743 -2.645) 4.936 2.082 ( -1.826 4.023 2.984) 5.331 2.226 ( -5.985 2.955 -4.367) 7.976 2.357 ( -4.065 -6.364 -1.086) 7.629 2.439 ( 0.368 0.882 -6.765) 6.832 2.845 ( -4.684 -11.187 -2.966) 12.485 2.957 ( -1.673 0.635 -2.592) 3.150 3.032 ( -1.240 0.184 1.625) 2.052 3.189 ( -0.929 4.449 -2.223) 5.060 3.294 ( 3.015 -0.406 1.295) 3.306 3.555 ( 2.218 2.360 4.365) 5.435 3.576 ( -1.369 2.634 0.498) 3.010 3.626 ( -4.580 5.626 6.348) 9.640 4.040 ( -3.708 -3.056 4.325) 6.464 4.081 ( -3.545 -4.770 -0.256) 5.949 4.147 ( -3.096 -3.101 0.497) 4.410 4.336 ( -1.399 1.612 -1.252) 2.475 4.450 ( -0.963 -0.215 -2.900) 3.064 6.810 ( -8.612 7.381 3.818) 11.967 6.882 ( -4.091 9.108 -6.603) 11.970 7.670 ( 0.118 -5.524 5.377) 7.710 7.983 ( 0.819 -11.353 0.876) 11.416 8.204 ( 0.345 1.910 1.784) 2.636 8.300 ( 1.318 -3.228 -1.580) 3.828 8.547 ( -0.985 4.465 -0.612) 4.614 8.748 ( 2.863 3.461 -0.130) 4.494 8.878 ( -0.952 -4.564 -3.188) 5.648 9.072 ( 2.039 -4.423 -0.997) 4.972 9.122 ( 1.447 1.760 -1.968) 3.010 9.263 ( 4.087 -0.982 -0.074) 4.204 13.436 ( -2.235 3.771 2.663) 5.130 13.567 ( -1.019 9.075 -3.790) 9.887 14.223 ( -2.335 -16.625 4.861) 17.478 14.407 ( 2.070 -12.262 -4.774) 13.321 14.921 ( 0.029 13.172 -0.657) 13.188 15.152 ( -0.784 15.006 -1.605) 15.112 15.512 ( -0.684 -3.242 6.077) 6.922 15.925 ( -1.555 -5.293 -1.310) 5.670 18.810 ( -0.945 -2.946 -6.639) 7.324 18.832 ( -3.930 -2.232 -3.519) 5.728 19.467 ( 0.516 2.076 -1.271) 2.488 19.678 ( -2.696 -4.806 4.896) 7.371 20.058 ( -1.755 14.124 5.588) 15.290 20.986 ( -4.127 -14.361 1.520) 15.020 21.351 ( 9.279 3.287 -4.208) 10.706 21.451 ( -1.796 4.669 0.091) 5.003 23.682 ( 2.070 0.809 2.174) 3.109 23.705 ( 0.165 1.146 -1.342) 1.773 23.866 ( -2.454 0.213 -1.341) 2.805 23.996 ( -2.758 -2.109 -3.207) 4.727 ======================= Grid point 142 (75/129) ======================= q-point: ( 0.42 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 6.463 2.871 -8.681) 11.197 0.898 ( -2.726 4.504 -11.650) 12.785 1.011 ( -0.545 1.828 -1.179) 2.242 1.147 ( 0.087 -1.659 1.489) 2.231 1.358 ( 0.716 3.598 1.472) 3.952 1.382 ( -0.705 -2.684 -1.780) 3.297 1.469 ( -0.933 0.727 0.120) 1.189 1.552 ( -1.814 0.692 1.538) 2.477 1.626 ( 2.515 -2.666 -3.723) 5.224 1.744 ( -1.713 -1.658 -4.716) 5.284 1.890 ( 3.005 -3.526 -0.770) 4.697 2.051 ( -0.884 4.921 -3.537) 6.125 2.131 ( -4.279 3.636 -1.998) 5.960 2.325 ( 0.834 -3.286 1.821) 3.848 2.387 ( -0.605 0.221 -8.738) 8.762 2.744 ( -3.487 -6.511 -2.488) 7.794 2.896 ( -2.626 2.532 -4.463) 5.764 3.028 ( 0.265 -0.871 -0.404) 0.996 3.193 ( 0.912 3.439 2.382) 4.281 3.383 ( 4.184 -2.067 1.068) 4.787 3.513 ( -4.367 2.957 4.854) 7.167 3.628 ( 2.615 2.273 7.151) 7.946 3.636 ( 1.575 1.787 4.131) 4.768 3.983 ( -4.837 -4.463 2.903) 7.193 4.011 ( -2.472 -0.358 -0.759) 2.611 4.105 ( -1.751 -1.926 1.158) 2.849 4.303 ( -1.189 1.299 -1.078) 2.065 4.424 ( -0.311 -1.257 -2.608) 2.911 6.675 ( -6.552 8.474 2.484) 10.995 6.805 ( -0.643 10.834 -6.143) 12.471 7.703 ( 0.265 -8.754 7.688) 11.654 8.010 ( 1.675 -10.724 0.251) 10.857 8.221 ( -0.182 -0.062 2.574) 2.581 8.281 ( -2.210 -1.238 -0.035) 2.533 8.543 ( 1.414 5.099 -1.730) 5.567 8.807 ( 1.619 1.322 -2.176) 3.017 8.832 ( -0.685 -5.639 -3.108) 6.475 9.092 ( -0.016 -0.342 -2.606) 2.628 9.126 ( 0.835 1.612 -0.957) 2.052 9.316 ( 1.392 -2.000 -0.621) 2.515 13.406 ( -1.981 4.000 2.081) 4.925 13.542 ( 0.113 9.637 -3.434) 10.231 14.198 ( -2.453 -16.745 4.623) 17.544 14.429 ( 2.448 -13.779 -4.505) 14.702 14.924 ( 0.154 14.899 0.919) 14.929 15.121 ( -1.018 14.850 -3.146) 15.214 15.542 ( 0.863 -3.640 5.878) 6.967 15.886 ( -1.619 -5.351 -1.965) 5.926 18.751 ( -2.861 -1.235 -3.366) 4.586 18.787 ( 2.006 -2.647 -8.110) 8.763 19.493 ( 1.697 1.701 2.107) 3.196 19.624 ( -4.512 -1.570 5.301) 7.136 20.127 ( 4.958 8.463 6.705) 11.881 20.890 ( -5.988 -14.339 0.073) 15.539 21.389 ( -4.457 7.823 -0.102) 9.004 21.497 ( 7.580 1.319 -4.225) 8.777 23.706 ( 0.815 1.489 -0.723) 1.845 23.729 ( 1.391 1.183 1.119) 2.141 23.814 ( -2.199 -0.405 -0.643) 2.326 23.937 ( -1.722 -2.290 -3.005) 4.152 ======================= Grid point 143 (76/129) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 6.654 2.915 -8.098) 10.879 0.807 ( -1.005 6.429 -10.677) 12.503 1.006 ( 0.909 3.977 -0.287) 4.090 1.152 ( -0.707 -1.356 0.907) 1.778 1.334 ( -2.821 -2.528 -3.058) 4.868 1.369 ( 0.011 -1.452 -1.243) 1.912 1.451 ( -0.287 0.755 1.429) 1.641 1.497 ( -4.099 -1.570 -1.723) 4.715 1.649 ( 1.418 -4.581 -4.238) 6.400 1.698 ( -0.500 0.621 -1.647) 1.830 1.947 ( 2.490 -2.963 -0.324) 3.884 2.009 ( -3.483 3.110 -2.105) 5.122 2.041 ( -0.754 3.129 -7.469) 8.133 2.312 ( 0.856 -2.548 -8.754) 9.157 2.439 ( 4.552 0.310 5.980) 7.522 2.724 ( 1.523 -3.838 0.759) 4.198 2.832 ( -0.706 3.626 -5.790) 6.868 3.016 ( -1.173 -0.662 -2.435) 2.783 3.196 ( -2.864 3.498 3.497) 5.715 3.411 ( -0.416 -2.391 -2.659) 3.600 3.529 ( 3.008 3.238 6.701) 8.027 3.705 ( 3.369 0.548 6.402) 7.255 3.728 ( 3.651 -0.436 9.361) 10.057 3.890 ( -4.418 -3.177 -2.143) 5.848 3.971 ( -1.996 0.783 1.014) 2.372 4.085 ( -0.739 -0.767 -0.127) 1.072 4.293 ( 0.722 0.751 -0.865) 1.354 4.416 ( 0.586 -1.707 -2.313) 2.934 6.589 ( -3.160 9.471 1.306) 10.069 6.810 ( 4.008 11.144 -5.418) 13.024 7.748 ( 0.185 -11.230 9.480) 14.698 8.044 ( 1.746 -9.471 -0.217) 9.633 8.182 ( -3.929 -0.289 -0.075) 3.940 8.269 ( 0.010 -2.761 4.134) 4.971 8.582 ( 3.348 5.719 -2.330) 7.025 8.725 ( -4.458 -1.621 -6.871) 8.349 8.872 ( 1.823 -1.221 0.268) 2.211 9.049 ( -2.029 4.207 -4.164) 6.258 9.155 ( 1.343 -2.523 1.567) 3.260 9.307 ( -1.801 -2.431 -1.849) 3.546 13.379 ( -1.724 3.944 1.747) 4.646 13.544 ( 1.684 9.970 -3.163) 10.595 14.172 ( -2.329 -17.112 4.158) 17.763 14.461 ( 2.805 -14.801 -4.083) 15.608 14.930 ( -0.336 17.145 2.003) 17.265 15.097 ( 0.446 13.791 -3.843) 14.323 15.593 ( 1.581 -3.612 5.874) 7.075 15.848 ( -1.094 -5.443 -2.715) 6.180 18.690 ( -1.759 0.190 -3.840) 4.228 18.809 ( 3.662 -2.844 -7.717) 9.003 19.550 ( 2.830 0.657 4.142) 5.060 19.571 ( -3.048 0.380 4.294) 5.280 20.275 ( 6.322 3.834 8.803) 11.496 20.760 ( -6.901 -11.323 -3.002) 13.596 21.283 ( -6.266 9.746 -0.027) 11.586 21.605 ( 5.513 -1.308 -3.635) 6.732 23.718 ( -1.148 0.978 0.087) 1.511 23.731 ( 0.286 1.795 -0.419) 1.865 23.801 ( 1.112 -0.646 0.308) 1.323 23.907 ( -0.029 -2.004 -2.989) 3.599 ======================= Grid point 144 (77/129) ======================= q-point: (-0.42 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 1.374 8.656 -10.580) 13.739 0.803 ( 0.906 3.611 -9.930) 10.605 1.061 ( 2.914 0.241 3.179) 4.319 1.119 ( -1.222 0.480 -0.748) 1.511 1.275 ( -1.390 -2.229 -2.104) 3.365 1.332 ( -3.167 -4.625 -4.866) 7.423 1.400 ( -2.915 -7.283 0.858) 7.891 1.487 ( 0.568 6.940 4.531) 8.308 1.624 ( -1.481 -2.973 -4.222) 5.372 1.725 ( 2.837 0.032 -0.168) 2.842 1.900 ( -3.704 1.565 -1.464) 4.279 1.997 ( 0.921 2.147 -5.903) 6.348 2.030 ( 2.787 -0.110 -3.305) 4.325 2.309 ( 2.022 -4.981 -5.386) 7.610 2.578 ( 6.675 0.009 4.937) 8.303 2.700 ( -2.283 1.284 -3.427) 4.314 2.910 ( 8.049 -1.191 0.816) 8.177 2.964 ( -2.180 -0.059 -3.329) 3.979 3.126 ( -4.912 4.744 2.988) 7.454 3.379 ( -1.950 -0.164 -3.074) 3.644 3.622 ( 2.561 1.422 5.626) 6.343 3.783 ( -0.111 -1.661 0.676) 1.796 3.817 ( 1.357 -1.589 3.833) 4.365 3.873 ( 5.869 -0.652 7.622) 9.642 3.949 ( -0.463 0.225 0.411) 0.658 4.077 ( 0.658 0.183 -1.197) 1.378 4.319 ( 2.225 0.121 -1.526) 2.701 4.422 ( 1.067 -1.598 -2.371) 3.051 6.566 ( 0.366 10.408 0.570) 10.430 6.907 ( 8.225 10.245 -4.883) 14.016 7.783 ( -1.613 -11.955 10.259) 15.836 8.064 ( -0.739 -9.085 -2.229) 9.384 8.110 ( -2.060 0.012 1.604) 2.611 8.301 ( 1.367 -6.316 3.766) 7.479 8.584 ( -4.057 3.155 -6.890) 8.596 8.658 ( 2.762 5.391 -1.394) 6.216 8.882 ( -0.994 1.646 0.039) 1.923 8.995 ( -1.529 0.920 -3.425) 3.862 9.177 ( -0.444 -2.785 1.870) 3.383 9.238 ( -3.796 -2.235 -2.199) 4.923 13.356 ( -1.359 3.940 1.561) 4.450 13.579 ( 3.331 9.634 -2.796) 10.570 14.147 ( -2.083 -17.514 3.503) 17.982 14.499 ( 2.903 -15.576 -3.747) 16.282 14.925 ( -0.916 18.729 1.200) 18.789 15.110 ( 2.384 12.940 -2.316) 13.360 15.651 ( 1.604 -3.244 6.088) 7.082 15.822 ( -0.138 -5.524 -3.390) 6.483 18.653 ( 0.010 1.377 -4.457) 4.665 18.846 ( 3.245 -3.196 -6.480) 7.920 19.539 ( -2.138 1.199 3.176) 4.012 19.647 ( 5.024 -1.377 4.893) 7.147 20.433 ( 5.075 0.885 10.507) 11.702 20.602 ( -6.881 -5.287 -6.943) 11.113 21.156 ( -7.090 10.206 0.862) 12.457 21.680 ( 4.013 -4.334 -3.195) 6.716 23.668 ( -2.879 1.660 0.211) 3.330 23.757 ( 1.493 0.358 0.437) 1.596 23.835 ( 2.101 -0.257 -0.291) 2.136 23.906 ( 1.316 -1.157 -3.420) 3.843 ======================= Grid point 145 (78/129) ======================= q-point: (-0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -6.575 3.805 -10.945) 13.323 0.763 ( 5.390 8.681 -8.748) 13.452 1.036 ( -2.914 -2.011 0.561) 3.585 1.186 ( -1.013 -3.181 -0.303) 3.352 1.236 ( 0.668 -2.148 3.258) 3.959 1.272 ( 0.095 -4.295 -0.447) 4.320 1.364 ( -2.323 -2.368 2.103) 3.927 1.503 ( -1.697 6.068 4.911) 7.989 1.576 ( -1.124 -3.623 -3.120) 4.912 1.774 ( 1.764 3.903 -1.613) 4.577 1.854 ( 0.368 -0.810 -2.550) 2.700 1.999 ( 2.611 2.397 -3.969) 5.322 2.087 ( 3.757 -0.014 -0.650) 3.813 2.335 ( 2.633 -6.978 -2.874) 7.993 2.578 ( -3.862 0.263 -2.569) 4.645 2.792 ( 7.904 -0.960 2.238) 8.271 2.903 ( -1.733 0.993 -1.851) 2.723 3.012 ( -1.429 5.253 0.092) 5.445 3.124 ( 5.749 -1.132 2.180) 6.252 3.304 ( -3.753 4.145 -3.661) 6.683 3.639 ( -1.529 -4.712 -0.173) 4.957 3.778 ( 0.016 -0.391 1.219) 1.281 3.888 ( 3.035 -0.962 3.636) 4.833 3.955 ( 0.724 0.460 0.946) 1.277 4.040 ( 7.781 -0.995 4.717) 9.154 4.117 ( 3.643 -0.042 0.979) 3.772 4.357 ( 2.494 -0.338 -2.259) 3.382 4.430 ( 0.811 -1.123 -2.877) 3.193 6.610 ( 3.989 10.915 0.619) 11.638 7.069 ( 10.292 8.815 -4.310) 14.220 7.768 ( -4.764 -11.116 10.182) 15.809 7.980 ( -4.742 -5.512 -3.185) 7.938 8.129 ( 1.625 -4.457 -0.166) 4.747 8.350 ( 1.883 -7.819 3.034) 8.596 8.495 ( -1.615 7.396 -2.734) 8.049 8.708 ( 2.179 3.651 -1.230) 4.426 8.839 ( -2.850 4.589 -0.979) 5.490 8.961 ( -1.238 -2.988 -1.248) 3.467 9.106 ( -5.514 -1.596 -2.047) 6.094 9.195 ( -1.632 -1.949 1.700) 3.058 13.343 ( -0.721 3.969 1.795) 4.415 13.642 ( 4.425 8.492 -2.775) 9.970 14.124 ( -1.693 -17.643 2.961) 17.969 14.536 ( 2.603 -16.245 -3.630) 16.848 14.911 ( -0.681 18.907 -0.235) 18.921 15.164 ( 3.613 12.837 0.097) 13.336 15.705 ( 0.960 -2.686 6.373) 6.983 15.814 ( 1.058 -5.522 -3.824) 6.800 18.656 ( 2.476 2.014 -4.580) 5.583 18.873 ( 2.357 -2.890 -4.694) 5.996 19.508 ( -2.339 1.879 1.444) 3.330 19.776 ( 5.594 -5.589 4.058) 8.888 20.430 ( -5.260 3.286 -6.756) 9.171 20.576 ( 3.116 0.514 9.686) 10.188 21.022 ( -7.098 8.915 0.588) 11.410 21.733 ( 2.915 -7.747 -2.863) 8.759 23.620 ( -2.273 2.826 0.902) 3.737 23.788 ( 1.448 -0.486 0.874) 1.759 23.874 ( 2.140 -0.550 -1.417) 2.625 23.921 ( 1.874 -0.142 -3.681) 4.133 ======================= Grid point 146 (79/129) ======================= q-point: (-0.25 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -7.755 7.287 -5.664) 12.055 0.836 ( 2.680 8.212 -2.620) 9.027 0.990 ( -2.080 -3.634 1.479) 4.441 1.081 ( -4.453 -3.902 -2.459) 6.411 1.259 ( -2.568 -5.656 1.577) 6.409 1.305 ( -0.583 -1.962 0.447) 2.095 1.349 ( 0.974 1.428 5.412) 5.681 1.454 ( -4.699 4.157 4.132) 7.513 1.571 ( 0.858 -3.786 -0.260) 3.891 1.766 ( -1.183 6.652 -2.415) 7.175 1.888 ( 4.298 -2.213 -4.311) 6.477 2.080 ( 6.349 0.804 1.236) 6.518 2.166 ( 3.715 -1.223 2.829) 4.827 2.381 ( 3.114 -7.358 -2.357) 8.331 2.517 ( -0.543 0.549 -2.211) 2.342 2.841 ( -1.822 -2.034 2.015) 3.393 2.886 ( -1.361 4.374 -3.946) 6.047 3.039 ( 3.781 5.309 1.684) 6.732 3.164 ( -2.113 2.287 -2.017) 3.710 3.284 ( 3.556 -1.548 -1.269) 4.081 3.605 ( -0.939 -1.406 -3.112) 3.541 3.761 ( -2.067 -6.386 1.058) 6.795 3.963 ( 1.938 1.272 4.600) 5.151 3.984 ( 2.830 0.581 -1.051) 3.075 4.200 ( 7.113 -1.279 1.072) 7.306 4.208 ( 4.304 -0.845 2.874) 5.244 4.389 ( 1.859 -0.650 -2.289) 3.020 4.425 ( 0.201 -0.545 -3.492) 3.540 6.727 ( 7.632 10.713 1.306) 13.218 7.234 ( 7.657 7.851 -3.185) 11.420 7.695 ( -6.429 -11.712 6.288) 14.766 7.883 ( -3.693 -2.690 -0.870) 4.651 8.158 ( 2.140 -2.735 -1.317) 3.714 8.396 ( 1.664 -7.441 2.131) 7.917 8.502 ( 2.087 6.811 -0.017) 7.124 8.709 ( -1.729 1.953 -2.090) 3.343 8.792 ( -1.223 3.797 0.892) 4.088 8.917 ( -3.579 -5.161 0.179) 6.283 9.003 ( -3.629 0.381 -0.982) 3.779 9.155 ( -3.222 -1.294 0.952) 3.601 13.346 ( 0.014 3.865 2.391) 4.545 13.717 ( 4.556 6.628 -3.299) 8.694 14.110 ( -1.084 -17.182 2.863) 17.452 14.563 ( 1.961 -16.804 -3.762) 17.332 14.901 ( -0.005 18.568 -1.050) 18.598 15.245 ( 4.267 11.952 1.389) 12.767 15.742 ( -0.235 -2.244 6.487) 6.868 15.828 ( 2.144 -5.301 -3.787) 6.858 18.709 ( 4.922 2.202 -3.072) 6.206 18.906 ( 3.205 -1.031 -2.601) 4.255 19.459 ( -2.956 2.907 -0.603) 4.189 19.858 ( 1.497 -9.686 -1.293) 9.886 20.359 ( 0.954 12.706 -2.390) 12.964 20.642 ( -2.074 3.466 10.828) 11.556 20.901 ( -4.294 4.163 -1.705) 6.219 21.763 ( 1.406 -11.626 -2.874) 12.058 23.593 ( -1.012 4.750 1.524) 5.090 23.818 ( 1.233 -0.047 0.616) 1.380 23.893 ( 0.915 -1.048 -4.012) 4.246 23.948 ( 2.277 -0.025 -1.839) 2.927 ======================= Grid point 147 (80/129) ======================= q-point: (-0.17 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 0.758 10.200 9.494) 13.955 0.774 ( -8.234 6.320 5.304) 11.657 0.980 ( -0.675 -4.563 1.735) 4.928 1.043 ( 1.076 0.269 -3.641) 3.806 1.185 ( -5.037 0.166 2.913) 5.821 1.271 ( -2.291 -1.599 -0.321) 2.812 1.355 ( -3.398 0.584 2.532) 4.278 1.408 ( -0.891 -1.780 2.540) 3.227 1.584 ( 0.110 -2.506 -0.332) 2.530 1.723 ( -2.004 4.447 -1.201) 5.023 1.971 ( 6.067 -2.556 -4.540) 7.997 2.231 ( 6.058 -2.372 4.466) 7.892 2.252 ( 3.927 -2.335 6.357) 7.829 2.422 ( 2.520 -3.197 -1.765) 4.437 2.536 ( 2.758 -0.193 -4.675) 5.431 2.814 ( -2.371 1.701 2.651) 3.942 2.836 ( -1.300 4.373 -0.943) 4.659 3.014 ( -3.024 0.271 -0.846) 3.152 3.212 ( 4.712 2.167 0.161) 5.189 3.333 ( 2.077 -4.201 -0.377) 4.701 3.560 ( -2.587 1.417 -3.500) 4.577 3.736 ( -0.296 -7.625 0.203) 7.634 3.995 ( 0.736 1.832 1.480) 2.467 4.048 ( 2.666 1.056 1.852) 3.414 4.286 ( 2.207 -1.296 1.770) 3.112 4.309 ( 4.060 -2.728 -2.782) 5.627 4.409 ( 1.054 0.137 -2.207) 2.450 4.414 ( 0.948 -0.348 -2.120) 2.348 6.906 ( 9.916 9.988 1.678) 14.174 7.304 ( 0.558 7.301 -0.450) 7.336 7.592 ( -5.517 -7.289 0.996) 9.196 7.847 ( -0.753 -4.012 1.000) 4.203 8.212 ( 3.847 -1.194 -0.045) 4.028 8.431 ( 0.921 -5.532 0.822) 5.668 8.523 ( -0.221 7.003 -2.964) 7.608 8.667 ( -0.552 0.864 1.148) 1.540 8.779 ( -2.687 -1.604 3.098) 4.403 8.848 ( -1.995 -3.102 1.694) 4.058 8.958 ( -1.409 -0.945 0.028) 1.697 9.083 ( -4.158 -0.832 -0.532) 4.274 13.365 ( 0.609 3.629 3.163) 4.852 13.778 ( 3.404 4.135 -4.310) 6.874 14.112 ( -0.065 -15.888 3.357) 16.239 14.573 ( 0.814 -17.395 -4.141) 17.900 14.903 ( 0.837 18.449 -1.137) 18.503 15.321 ( 2.581 9.369 -0.739) 9.746 15.753 ( -1.728 -2.021 6.430) 6.958 15.860 ( 2.701 -5.126 -3.356) 6.696 18.816 ( 6.357 1.089 0.431) 6.464 19.004 ( 8.977 2.811 0.928) 9.453 19.399 ( -2.097 5.385 -2.110) 6.152 19.846 ( 0.513 -5.830 -5.891) 8.303 20.400 ( -0.260 17.281 3.471) 17.628 20.586 ( -6.117 4.607 8.106) 11.151 20.876 ( 2.380 -1.797 -1.741) 3.453 21.747 ( -2.163 -15.543 -3.343) 16.045 23.598 ( 0.838 7.546 1.190) 7.685 23.834 ( 0.281 1.854 -1.981) 2.728 23.878 ( -0.191 -1.308 -2.941) 3.225 23.986 ( 2.017 -1.241 -0.411) 2.404 ======================= Grid point 148 (81/129) ======================= q-point: (-0.08 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 5.733 5.606 15.557) 17.502 0.648 ( -6.498 5.772 9.497) 12.874 0.971 ( -1.478 -0.573 2.289) 2.785 1.021 ( -2.332 2.453 4.305) 5.476 1.142 ( -0.130 2.530 -1.048) 2.742 1.223 ( -2.448 -1.495 1.420) 3.201 1.297 ( -2.765 -1.004 0.557) 2.994 1.401 ( -0.741 -4.581 -0.340) 4.653 1.562 ( -1.331 1.573 -3.370) 3.950 1.685 ( -2.022 -0.276 0.930) 2.242 2.069 ( 5.821 -3.119 -4.147) 7.798 2.197 ( -9.399 -4.887 0.617) 10.611 2.404 ( 6.363 -1.052 4.326) 7.766 2.521 ( 4.091 2.677 -2.648) 5.560 2.569 ( 6.400 -1.215 2.650) 7.033 2.773 ( -3.589 4.733 2.829) 6.579 2.825 ( 1.044 2.460 2.125) 3.414 3.041 ( 5.039 -7.301 3.100) 9.397 3.254 ( -0.412 -5.685 0.769) 5.752 3.395 ( 3.916 4.479 1.671) 6.179 3.487 ( -2.761 -3.616 -2.542) 5.212 3.737 ( 0.300 -1.835 -3.173) 3.677 4.019 ( 1.490 0.841 1.787) 2.474 4.092 ( 0.830 0.877 2.304) 2.601 4.282 ( -2.083 -1.084 -1.966) 3.063 4.344 ( 1.504 -3.709 -4.549) 6.059 4.419 ( 1.345 0.268 -0.747) 1.562 4.448 ( 1.928 0.088 -0.572) 2.013 7.083 ( 5.704 6.899 2.153) 9.207 7.300 ( 1.219 8.865 -0.643) 8.971 7.509 ( -3.401 -1.448 2.050) 4.227 7.808 ( -3.796 -2.468 -2.371) 5.111 8.283 ( 1.628 -0.572 1.990) 2.634 8.412 ( -0.752 -0.623 -2.214) 2.420 8.540 ( 3.672 1.294 -0.330) 3.908 8.690 ( 0.270 -1.448 2.989) 3.332 8.725 ( -2.202 -1.887 3.247) 4.354 8.857 ( 0.049 -4.749 1.375) 4.944 8.943 ( -0.188 -2.828 0.585) 2.894 9.001 ( -3.278 -1.160 -1.652) 3.849 13.397 ( 1.001 3.410 3.975) 5.332 13.803 ( 1.410 1.972 -5.370) 5.892 14.139 ( 1.046 -14.428 4.092) 15.034 14.550 ( -1.412 -17.533 -4.301) 18.108 14.925 ( 1.790 18.951 -0.419) 19.040 15.296 ( -4.276 8.936 -5.319) 11.244 15.732 ( -3.321 -2.082 6.272) 7.396 15.897 ( 2.536 -5.421 -2.834) 6.622 18.915 ( 3.283 1.158 0.590) 3.531 19.224 ( 4.482 -4.430 -1.124) 6.401 19.487 ( 19.554 10.477 4.180) 22.574 19.870 ( 4.939 -2.347 -5.256) 7.585 20.320 ( -5.595 19.994 1.064) 20.790 20.527 ( -5.542 3.990 6.251) 9.258 20.971 ( 7.389 -3.968 0.836) 8.429 21.624 ( -9.753 -16.947 -3.074) 19.793 23.623 ( 0.925 10.087 -1.443) 10.232 23.802 ( -1.005 1.594 -4.269) 4.666 23.894 ( 2.388 -0.151 1.364) 2.754 24.015 ( 1.000 -1.686 -0.165) 1.967 ======================= Grid point 149 (82/129) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -2.315 8.856 6.704) 11.346 0.857 ( 5.098 1.776 11.220) 12.451 0.896 ( -0.342 -5.265 3.051) 6.095 0.957 ( 3.006 -4.239 6.862) 8.608 1.158 ( 0.966 1.541 -2.830) 3.364 1.213 ( -0.146 -3.186 -1.871) 3.697 1.323 ( -1.593 0.979 -1.324) 2.292 1.401 ( -2.777 -6.166 -1.031) 6.841 1.553 ( 0.888 20.911 7.248) 22.149 1.785 ( -1.549 9.256 -0.934) 9.431 1.949 ( -3.138 -8.225 2.209) 9.076 1.957 ( 0.171 -12.988 1.575) 13.084 2.519 ( 1.572 3.973 0.277) 4.281 2.593 ( -0.378 1.915 -4.463) 4.871 2.662 ( 3.850 -2.412 3.582) 5.786 2.738 ( -2.765 -3.308 -0.730) 4.373 2.940 ( 2.076 4.329 2.089) 5.236 3.055 ( 3.902 -4.871 -0.513) 6.262 3.135 ( -0.452 1.389 4.115) 4.367 3.281 ( 1.459 -10.029 0.439) 10.144 3.619 ( 1.953 7.883 1.926) 8.346 3.732 ( 2.019 -2.761 -0.057) 3.421 4.045 ( -1.006 1.582 -3.736) 4.180 4.095 ( -1.719 -1.588 -1.869) 2.995 4.227 ( -1.406 0.533 -0.178) 1.514 4.254 ( -1.338 -2.748 -1.420) 3.370 4.457 ( 1.441 0.471 -0.020) 1.517 4.466 ( 0.921 -0.362 -0.356) 1.052 7.224 ( -3.436 8.103 6.005) 10.655 7.380 ( -4.101 -5.704 4.654) 8.427 7.631 ( 6.411 8.218 -3.043) 10.858 7.738 ( 1.235 -1.565 -3.421) 3.960 8.275 ( -2.334 1.420 2.347) 3.602 8.340 ( -0.715 -4.640 0.336) 4.707 8.645 ( 3.069 1.933 0.196) 3.632 8.664 ( 2.859 -0.657 1.543) 3.315 8.751 ( -1.265 -1.776 0.003) 2.180 8.762 ( 0.911 0.199 1.487) 1.756 8.851 ( -1.809 -1.363 -1.354) 2.639 8.908 ( -0.097 -4.529 -1.386) 4.738 13.541 ( 0.943 7.534 3.217) 8.246 13.717 ( 0.889 -9.162 -0.831) 9.242 14.087 ( 0.425 4.379 -0.649) 4.447 14.241 ( -0.215 -10.255 -3.629) 10.880 15.287 ( 0.838 10.726 0.764) 10.785 15.320 ( -4.580 5.276 -0.630) 7.015 15.651 ( -3.110 0.927 2.928) 4.371 15.775 ( 1.158 -9.402 -0.904) 9.516 19.035 ( 0.558 5.452 0.286) 5.488 19.141 ( -0.604 -4.732 -1.748) 5.081 19.800 ( 2.686 0.922 -3.043) 4.163 19.862 ( 1.102 -4.692 -3.937) 6.224 20.629 ( 2.949 11.615 0.957) 12.022 20.722 ( 8.186 8.095 -1.680) 11.634 20.986 ( 1.957 -4.970 3.286) 6.271 21.104 ( -8.824 -12.042 1.430) 14.997 23.734 ( -2.938 4.703 -3.244) 6.424 23.784 ( -1.506 -0.775 -3.524) 3.910 23.987 ( 3.977 0.525 -0.161) 4.015 24.004 ( 2.356 -1.069 -0.587) 2.653 ======================= Grid point 150 (83/129) ======================= q-point: ( 0.08 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -0.496 10.255 5.856) 11.819 0.905 ( 0.861 -8.629 3.137) 9.222 1.032 ( 6.189 3.214 9.790) 12.020 1.064 ( 4.212 -0.754 6.595) 7.861 1.168 ( 1.515 1.291 -2.290) 3.034 1.211 ( 0.942 -2.282 -1.750) 3.027 1.308 ( 1.113 -1.611 -0.872) 2.143 1.347 ( -1.821 -5.307 -2.098) 5.990 1.620 ( 2.589 19.659 6.447) 20.850 1.760 ( -0.228 7.790 -1.800) 7.999 1.868 ( -3.624 -1.274 1.145) 4.009 2.005 ( 1.485 -15.677 2.343) 15.921 2.507 ( -1.439 3.945 -2.251) 4.764 2.534 ( -3.162 2.578 -3.291) 5.242 2.662 ( -4.094 -0.739 -1.305) 4.360 2.729 ( 0.625 -8.707 2.443) 9.065 2.991 ( 1.545 2.023 2.426) 3.517 3.083 ( -0.782 -6.035 1.222) 6.207 3.179 ( 2.778 5.235 0.484) 5.946 3.334 ( 3.309 -8.569 0.111) 9.186 3.653 ( 1.062 7.677 0.038) 7.750 3.742 ( -0.546 0.476 -3.603) 3.675 3.990 ( -3.527 -0.285 -2.184) 4.158 4.044 ( -1.720 -4.641 -2.175) 5.406 4.195 ( -2.754 0.394 1.545) 3.182 4.211 ( -2.571 -1.542 0.157) 3.002 4.471 ( 0.099 0.900 -0.782) 1.196 4.486 ( 1.245 -0.497 -0.809) 1.565 7.182 ( -3.369 7.602 4.908) 9.655 7.315 ( -4.629 -3.589 4.116) 7.159 7.675 ( -0.463 4.691 -0.903) 4.800 7.752 ( 1.617 -1.730 -3.498) 4.224 8.236 ( -2.102 3.630 1.466) 4.443 8.336 ( -0.669 -5.928 0.617) 5.997 8.690 ( 0.487 4.630 -1.735) 4.969 8.731 ( 2.252 0.638 0.742) 2.455 8.759 ( 4.349 -0.115 0.949) 4.453 8.802 ( 2.220 -1.591 1.669) 3.201 8.842 ( 1.813 -2.802 -0.945) 3.468 8.928 ( 2.751 -6.308 -1.280) 6.999 13.570 ( 0.469 7.288 3.246) 7.992 13.729 ( 0.905 -6.956 -1.720) 7.222 14.081 ( -0.824 2.700 -0.058) 2.824 14.220 ( -0.202 -9.318 -4.042) 10.159 15.231 ( -3.995 8.688 -0.051) 9.563 15.302 ( -0.120 4.639 1.637) 4.920 15.611 ( -2.182 4.853 2.741) 5.986 15.795 ( 1.025 -10.372 -0.224) 10.425 19.013 ( -2.847 3.983 0.404) 4.913 19.089 ( -3.617 -3.147 -2.168) 5.262 19.746 ( -4.690 -0.339 -2.955) 5.553 19.777 ( -6.601 -3.675 -4.475) 8.781 20.708 ( 1.473 16.474 2.607) 16.744 20.930 ( 5.271 2.226 -3.379) 6.645 20.946 ( -1.176 -4.716 1.112) 4.986 21.069 ( 6.914 -12.295 2.199) 14.276 23.672 ( -2.229 4.547 -0.418) 5.081 23.738 ( -1.710 -2.208 -1.936) 3.398 24.018 ( 0.605 1.587 -1.817) 2.487 24.055 ( 2.325 -1.869 -2.339) 3.790 ======================= Grid point 151 (84/129) ======================= q-point: ( 0.17 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -0.237 10.834 3.516) 11.393 0.932 ( 0.198 -9.223 2.444) 9.543 1.127 ( 1.147 2.967 -0.540) 3.226 1.159 ( 2.958 0.111 0.556) 3.012 1.203 ( 2.867 1.379 -1.982) 3.748 1.246 ( 3.133 -1.558 1.079) 3.662 1.328 ( 1.677 -0.940 -0.028) 1.923 1.383 ( 5.010 -4.264 4.626) 8.042 1.699 ( 2.645 16.580 5.020) 17.524 1.764 ( 1.888 5.469 -3.231) 6.627 1.823 ( -1.344 0.465 -0.438) 1.488 2.034 ( 0.405 -13.364 3.199) 13.748 2.450 ( -4.244 2.024 -1.994) 5.107 2.472 ( -1.131 2.235 -1.600) 2.972 2.565 ( -5.071 0.993 -2.776) 5.866 2.711 ( -2.715 -13.001 0.075) 13.282 3.012 ( -0.597 1.203 3.171) 3.444 3.058 ( -2.530 -2.647 3.516) 5.077 3.227 ( 2.970 7.668 -2.952) 8.737 3.384 ( 1.767 -6.717 -2.408) 7.351 3.652 ( -0.786 5.381 -2.506) 5.988 3.680 ( -2.994 2.745 -4.990) 6.435 3.900 ( -4.743 2.698 0.432) 5.474 4.024 ( -0.322 -9.014 -0.060) 9.020 4.130 ( -4.366 0.379 1.894) 4.774 4.158 ( -3.626 -1.944 1.855) 4.513 4.458 ( -0.941 2.288 -1.184) 2.743 4.494 ( 0.044 -1.149 -1.443) 1.845 7.140 ( -3.091 7.092 3.368) 8.437 7.237 ( -5.214 -0.469 2.485) 5.795 7.650 ( -1.722 2.316 0.838) 3.006 7.748 ( -0.537 -6.827 -1.524) 7.016 8.215 ( -0.322 4.524 -0.302) 4.546 8.300 ( -3.129 -3.983 0.617) 5.103 8.682 ( 0.016 5.798 -1.518) 5.993 8.777 ( 1.140 -2.749 -1.255) 3.230 8.812 ( 1.808 2.609 0.014) 3.174 8.868 ( 3.427 -3.367 0.640) 4.846 8.927 ( 6.376 -0.642 0.632) 6.439 9.009 ( 5.999 -5.696 -0.288) 8.277 13.585 ( -0.447 7.632 3.229) 8.299 13.733 ( 0.478 -4.288 -2.504) 4.988 14.057 ( -1.728 1.020 0.722) 2.132 14.197 ( -0.056 -9.862 -4.812) 10.974 15.172 ( -2.103 9.726 0.149) 9.952 15.301 ( -0.681 -0.876 2.403) 2.647 15.590 ( -1.488 9.010 2.628) 9.503 15.807 ( 0.132 -10.486 0.204) 10.489 18.936 ( -4.567 1.896 -1.488) 5.164 18.992 ( -5.239 -3.099 -2.458) 6.564 19.626 ( -5.393 0.303 -4.366) 6.946 19.656 ( -3.413 -2.185 -1.648) 4.374 20.625 ( -9.736 14.281 5.796) 18.230 20.858 ( -4.466 -8.862 3.205) 10.428 21.109 ( 10.572 5.622 -4.484) 12.786 21.261 ( 10.155 -8.645 -1.550) 13.426 23.650 ( -0.353 3.454 1.407) 3.746 23.708 ( -0.795 -2.333 -0.418) 2.500 24.002 ( -1.170 2.650 -2.797) 4.027 24.058 ( -0.542 -2.827 -3.233) 4.329 ======================= Grid point 152 (85/129) ======================= q-point: ( 0.25 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -0.274 10.587 -0.019) 10.591 0.930 ( -0.956 -8.748 0.789) 8.835 1.115 ( -0.540 2.768 -5.347) 6.045 1.165 ( -0.253 -1.884 -4.938) 5.292 1.267 ( 4.548 0.185 -3.031) 5.468 1.301 ( 2.964 -3.218 -1.908) 4.773 1.412 ( 4.114 4.389 4.706) 7.637 1.496 ( 3.592 -3.242 4.928) 6.907 1.756 ( 0.599 15.528 4.303) 16.124 1.793 ( 2.364 2.004 -3.948) 5.019 1.808 ( 0.276 0.920 -1.365) 1.669 2.056 ( 0.039 -11.121 5.067) 12.221 2.354 ( -4.614 2.491 -2.150) 5.667 2.412 ( -5.401 -0.603 -3.635) 6.538 2.482 ( -0.479 3.642 -3.259) 4.911 2.651 ( -2.518 -13.514 -1.558) 13.835 3.001 ( -1.670 1.193 2.874) 3.532 3.034 ( -1.603 -1.895 3.543) 4.326 3.260 ( 1.569 6.364 -3.032) 7.223 3.356 ( -2.981 -2.579 -4.420) 5.922 3.604 ( -1.565 3.410 -1.578) 4.070 3.633 ( -0.443 0.362 -2.519) 2.583 3.827 ( -3.804 7.574 2.946) 8.973 3.999 ( -3.431 -8.383 1.696) 9.215 4.065 ( -2.871 -1.118 2.037) 3.693 4.097 ( -3.169 -3.303 2.531) 5.230 4.426 ( -1.749 2.974 -1.477) 3.753 4.473 ( -1.392 -1.593 -2.020) 2.925 7.084 ( -4.471 7.234 2.777) 8.946 7.140 ( -4.844 3.242 -0.847) 5.890 7.615 ( -2.638 0.590 2.424) 3.630 7.732 ( -0.516 -10.523 -0.220) 10.538 8.221 ( 0.845 1.663 -0.472) 1.925 8.248 ( -2.037 -1.572 1.325) 2.894 8.671 ( -0.579 5.798 -1.337) 5.979 8.776 ( -0.108 -2.775 -1.922) 3.377 8.836 ( 1.089 1.918 -1.243) 2.531 8.923 ( 2.519 -5.493 -0.942) 6.116 9.061 ( 6.543 2.109 0.963) 6.941 9.132 ( 6.161 -3.688 -0.004) 7.180 13.583 ( -1.241 8.329 3.060) 8.960 13.725 ( 0.003 -1.654 -3.007) 3.432 14.025 ( -2.093 -0.654 1.546) 2.683 14.175 ( 0.115 -11.215 -5.336) 12.420 15.150 ( -0.477 10.154 0.421) 10.174 15.303 ( -0.211 -3.633 2.574) 4.457 15.570 ( -1.817 11.053 2.231) 11.421 15.799 ( -1.017 -10.400 0.107) 10.450 18.840 ( -3.710 0.243 -4.004) 5.464 18.877 ( -4.872 -3.039 -3.476) 6.712 19.542 ( -1.882 3.039 -2.080) 4.136 19.610 ( -1.403 -3.635 0.608) 3.943 20.465 ( -8.681 16.387 5.534) 19.352 20.773 ( -5.824 -14.773 4.135) 16.409 21.288 ( 9.567 6.682 -4.091) 12.366 21.411 ( 6.276 -5.033 -2.152) 8.328 23.666 ( 1.086 2.162 2.017) 3.150 23.704 ( 0.267 -1.430 0.371) 1.501 23.953 ( -2.471 2.670 -3.009) 4.721 24.012 ( -2.483 -3.080 -3.441) 5.243 ======================= Grid point 153 (86/129) ======================= q-point: ( 0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 1.099 10.128 -3.828) 10.883 0.920 ( 0.614 -8.241 -1.595) 8.417 1.069 ( -1.171 3.351 -7.284) 8.103 1.132 ( -0.483 -2.465 -4.805) 5.422 1.323 ( 2.238 -1.140 -4.160) 4.860 1.338 ( 1.716 -2.354 -3.148) 4.289 1.487 ( 1.652 3.380 2.624) 4.587 1.554 ( 0.997 -3.069 1.214) 3.447 1.754 ( -1.825 10.119 2.644) 10.616 1.793 ( -0.830 0.730 -3.076) 3.269 1.825 ( 0.894 4.643 0.871) 4.808 2.074 ( -1.013 -10.760 5.093) 11.948 2.264 ( -3.268 4.034 -3.515) 6.270 2.305 ( -2.310 1.779 -3.813) 4.800 2.460 ( -0.485 2.344 -6.416) 6.848 2.607 ( -1.423 -11.815 -1.698) 12.021 2.982 ( -1.084 1.860 -0.271) 2.169 3.020 ( -1.038 -1.557 0.914) 2.083 3.261 ( -0.838 2.764 -0.478) 2.927 3.291 ( -0.450 -0.403 0.888) 1.074 3.602 ( 0.871 2.093 1.668) 2.815 3.618 ( -1.023 0.861 -0.724) 1.521 3.766 ( -3.862 8.156 3.089) 9.538 3.926 ( -4.441 -7.743 2.828) 9.364 4.030 ( -1.710 -0.232 2.419) 2.972 4.069 ( -1.372 -3.836 2.375) 4.716 4.382 ( -1.961 2.663 -1.750) 3.742 4.429 ( -1.917 -1.919 -2.358) 3.594 6.988 ( -6.309 9.240 2.629) 11.494 7.057 ( -2.727 4.916 -3.851) 6.814 7.578 ( -2.539 -0.462 4.080) 4.827 7.729 ( 0.343 -13.156 -0.349) 13.166 8.224 ( -0.676 0.677 2.965) 3.116 8.249 ( 0.523 -1.951 0.946) 2.230 8.652 ( -0.215 5.965 -2.734) 6.565 8.760 ( -0.436 -4.457 -3.025) 5.404 8.849 ( 0.893 4.083 -0.856) 4.266 8.961 ( 1.973 -6.473 -0.815) 6.816 9.168 ( 4.091 3.063 -0.548) 5.140 9.228 ( 3.817 -2.653 -0.740) 4.707 13.567 ( -1.703 9.026 2.780) 9.597 13.709 ( -0.117 0.049 -3.151) 3.153 13.993 ( -2.013 -1.598 2.068) 3.299 14.157 ( 0.603 -12.666 -5.273) 13.733 15.155 ( 0.626 10.660 0.949) 10.720 15.316 ( 0.342 -3.761 2.292) 4.417 15.541 ( -1.993 10.867 1.584) 11.161 15.770 ( -1.788 -10.406 -0.483) 10.569 18.769 ( -1.323 -0.752 -5.683) 5.883 18.785 ( -2.815 -2.110 -4.306) 5.560 19.524 ( -0.082 3.495 0.771) 3.580 19.596 ( -1.102 -3.852 2.742) 4.855 20.360 ( -4.613 16.315 5.375) 17.786 20.681 ( -5.472 -16.360 4.191) 17.753 21.430 ( 6.955 4.144 -3.850) 8.965 21.486 ( 2.696 -0.998 -2.461) 3.784 23.703 ( 1.699 1.215 1.659) 2.668 23.719 ( 1.060 -0.121 0.498) 1.177 23.886 ( -2.969 2.121 -2.546) 4.449 23.942 ( -3.016 -3.158 -3.157) 5.389 ======================= Grid point 154 (87/129) ======================= q-point: ( 0.42 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 4.803 9.715 -5.697) 12.243 0.947 ( 3.320 -7.041 -4.903) 9.200 1.011 ( -1.065 5.517 -6.533) 8.617 1.114 ( 0.470 -3.507 -2.258) 4.197 1.308 ( -1.250 -2.148 -4.396) 5.050 1.330 ( -1.082 -3.026 -3.412) 4.687 1.487 ( -2.062 1.709 -2.587) 3.724 1.551 ( -0.555 -4.096 -3.040) 5.131 1.721 ( -2.528 8.160 1.664) 8.703 1.756 ( -1.625 2.419 0.138) 2.917 1.847 ( 1.328 2.811 1.434) 3.423 2.047 ( -3.386 -9.567 1.724) 10.293 2.197 ( -1.580 6.064 -6.090) 8.738 2.290 ( 0.506 -2.176 -4.190) 4.748 2.422 ( 0.613 5.426 -2.866) 6.167 2.582 ( -0.408 -9.366 0.016) 9.375 2.953 ( -0.980 3.146 -3.398) 4.733 3.006 ( -0.074 -1.884 -2.078) 2.806 3.264 ( 0.911 3.697 1.807) 4.215 3.332 ( 2.350 -3.125 2.202) 4.488 3.580 ( -2.714 3.435 3.762) 5.772 3.629 ( 0.356 -1.254 4.569) 4.751 3.731 ( -0.890 6.339 3.178) 7.146 3.865 ( -3.116 -6.976 1.878) 7.868 4.018 ( -0.942 1.175 2.067) 2.558 4.057 ( -0.923 -2.572 2.220) 3.521 4.340 ( -1.272 2.335 -2.000) 3.327 4.388 ( -1.031 -2.339 -2.455) 3.544 6.888 ( -4.679 11.800 1.661) 12.802 7.003 ( -0.631 4.313 -4.655) 6.377 7.562 ( -1.353 -0.810 5.540) 5.760 7.745 ( 1.523 -14.980 -0.598) 15.069 8.222 ( -1.475 0.618 3.749) 4.076 8.248 ( -1.666 -1.812 3.252) 4.078 8.647 ( 1.533 4.804 -4.647) 6.857 8.732 ( -0.570 -4.403 -4.982) 6.673 8.869 ( 1.277 5.185 1.140) 5.461 8.994 ( 1.688 -6.675 0.072) 6.885 9.206 ( 0.599 3.837 -2.459) 4.597 9.269 ( 0.965 -2.733 -1.750) 3.386 13.544 ( -1.890 9.506 2.494) 10.008 13.695 ( 0.194 0.092 -2.926) 2.934 13.967 ( -1.617 -1.032 2.065) 2.818 14.153 ( 1.399 -13.884 -4.794) 14.754 15.180 ( 1.282 11.187 1.727) 11.392 15.330 ( 0.013 -0.486 1.400) 1.482 15.518 ( -0.797 7.366 1.441) 7.547 15.730 ( -1.813 -10.400 -1.325) 10.640 18.730 ( -0.868 -0.557 -4.665) 4.778 18.740 ( 1.129 -1.675 -6.393) 6.704 19.536 ( 0.422 2.561 2.846) 3.851 19.585 ( -1.589 -2.349 3.916) 4.835 20.338 ( -0.480 12.638 5.831) 13.926 20.605 ( -4.317 -14.457 3.789) 15.556 21.496 ( -0.316 3.126 -2.970) 4.323 21.519 ( 4.125 0.414 -3.764) 5.600 23.736 ( 1.106 1.395 0.290) 1.804 23.752 ( 1.998 0.272 0.726) 2.143 23.820 ( -2.822 1.770 -1.745) 3.760 23.878 ( -1.984 -3.447 -2.496) 4.696 ======================= Grid point 155 (88/129) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 5.978 8.090 -6.730) 12.103 0.939 ( -0.143 4.546 -9.255) 10.312 1.026 ( 3.432 -0.430 -1.185) 3.656 1.134 ( 1.723 -3.919 1.168) 4.438 1.256 ( -1.806 -4.230 -3.609) 5.846 1.278 ( -2.164 -3.935 -3.311) 5.580 1.390 ( -4.870 2.967 -7.680) 9.565 1.512 ( -1.420 -7.686 -5.831) 9.752 1.679 ( -2.377 8.690 2.044) 9.238 1.742 ( -0.330 1.956 1.742) 2.639 1.896 ( 2.852 -0.167 1.232) 3.112 1.985 ( -2.275 -5.379 -0.683) 5.880 2.137 ( -1.739 5.869 -6.890) 9.217 2.242 ( -1.446 -4.584 -8.072) 9.395 2.491 ( 4.642 5.215 5.496) 8.886 2.616 ( 3.160 -6.746 4.036) 8.473 2.914 ( -0.855 4.460 -5.613) 7.220 2.988 ( -0.711 -2.647 -4.033) 4.876 3.273 ( -1.090 4.164 0.182) 4.309 3.351 ( -0.363 -3.645 -1.629) 4.009 3.608 ( 2.982 4.494 7.795) 9.479 3.687 ( 3.325 -3.089 7.640) 8.887 3.743 ( -0.039 2.698 4.076) 4.888 3.814 ( -2.673 -4.168 0.054) 4.951 4.003 ( -1.342 2.428 1.514) 3.161 4.054 ( -0.423 -2.341 1.410) 2.765 4.322 ( 0.488 2.158 -2.162) 3.094 4.371 ( 0.480 -2.637 -2.489) 3.658 6.833 ( -1.572 13.975 0.973) 14.097 7.000 ( 2.553 2.186 -4.628) 5.719 7.575 ( -0.189 -0.526 6.267) 6.292 7.779 ( 2.229 -15.819 -0.899) 16.000 8.189 ( -3.529 1.138 3.527) 5.117 8.223 ( -2.667 -2.140 5.139) 6.172 8.663 ( 2.004 2.238 -5.739) 6.478 8.696 ( -0.298 -1.524 -5.833) 6.036 8.906 ( 1.422 5.056 2.701) 5.906 9.025 ( 1.132 -5.779 0.668) 5.926 9.178 ( -1.872 3.900 -2.896) 5.206 9.249 ( -1.921 -3.311 -2.843) 4.768 13.518 ( -1.849 9.794 2.216) 10.210 13.691 ( 0.600 -1.918 -2.340) 3.085 13.951 ( -0.897 1.312 1.543) 2.215 14.167 ( 2.134 -14.775 -4.292) 15.533 15.216 ( 1.412 11.631 2.513) 11.983 15.326 ( -0.659 5.066 0.007) 5.109 15.531 ( 1.263 1.305 2.241) 2.884 15.693 ( -1.113 -10.057 -2.132) 10.340 18.704 ( 0.323 1.409 -4.993) 5.198 18.748 ( 2.448 -2.981 -6.399) 7.472 19.565 ( 0.969 0.747 4.006) 4.189 19.574 ( -1.258 -0.159 3.945) 4.144 20.383 ( 1.895 7.078 6.608) 9.867 20.549 ( -3.125 -9.859 2.822) 10.721 21.451 ( -2.739 7.121 -3.052) 8.218 21.557 ( 1.738 -3.773 -3.740) 5.590 23.743 ( -0.847 1.456 0.030) 1.684 23.764 ( -1.669 0.119 -0.473) 1.739 23.798 ( 2.352 1.656 -0.532) 2.925 23.854 ( 0.669 -3.153 -2.088) 3.840 ======================= Grid point 156 (89/129) ======================= q-point: (-0.42 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 1.153 4.525 -7.458) 8.799 0.885 ( -1.939 3.360 -9.600) 10.354 1.096 ( 2.491 3.072 2.335) 4.593 1.162 ( 0.528 1.503 1.475) 2.171 1.214 ( -1.401 -3.051 -2.909) 4.442 1.248 ( -1.207 -0.355 -5.097) 5.250 1.269 ( -1.547 -2.423 -2.971) 4.134 1.448 ( -1.748 -12.230 -7.084) 14.242 1.661 ( -0.577 7.941 2.404) 8.317 1.749 ( 0.081 -0.541 1.540) 1.634 1.933 ( 0.727 2.690 -0.846) 2.912 1.996 ( 3.232 -2.577 0.006) 4.134 2.079 ( -0.885 4.850 -5.273) 7.219 2.192 ( -0.321 -6.394 -5.416) 8.386 2.614 ( 4.210 3.555 5.538) 7.812 2.689 ( 0.939 -2.940 3.145) 4.407 2.907 ( 3.670 1.508 -3.766) 5.470 2.949 ( -0.173 -1.828 -4.010) 4.410 3.234 ( -2.321 5.806 -0.474) 6.271 3.336 ( -0.337 -4.173 -1.331) 4.393 3.675 ( -1.486 3.885 2.253) 4.731 3.753 ( -1.375 -3.207 0.509) 3.526 3.788 ( 3.910 0.624 5.446) 6.734 3.829 ( 5.745 -2.904 4.570) 7.895 3.993 ( -0.258 3.441 3.025) 4.589 4.056 ( 0.445 -2.440 1.022) 2.683 4.337 ( 1.861 1.748 -2.341) 3.464 4.380 ( 1.481 -2.476 -2.576) 3.867 6.837 ( 1.551 15.900 0.642) 15.988 7.060 ( 5.680 -1.138 -4.037) 7.061 7.600 ( -0.468 0.100 5.846) 5.865 7.809 ( 1.079 -15.339 -1.739) 15.475 8.137 ( -3.029 2.458 3.924) 5.533 8.202 ( -1.687 -4.066 5.278) 6.873 8.641 ( -0.729 2.898 -5.456) 6.221 8.694 ( 1.830 -1.770 -4.989) 5.602 8.940 ( 0.606 5.023 2.795) 5.780 9.020 ( -2.151 -0.940 -1.817) 2.969 9.135 ( -1.254 -0.187 0.108) 1.272 9.178 ( -3.663 -3.303 -2.807) 5.675 13.495 ( -1.529 9.956 2.041) 10.277 13.695 ( 0.655 -5.736 -1.518) 5.969 13.949 ( 0.199 4.941 0.649) 4.987 14.193 ( 2.482 -15.288 -4.011) 15.999 15.247 ( 0.330 12.690 1.887) 12.834 15.320 ( 0.488 6.684 0.231) 6.706 15.579 ( 2.319 -2.192 3.112) 4.458 15.672 ( 0.077 -8.999 -2.586) 9.363 18.697 ( 1.356 3.079 -5.201) 6.195 18.770 ( 2.637 -4.177 -5.906) 7.699 19.571 ( -0.821 1.965 3.180) 3.827 19.612 ( 1.847 -2.111 3.801) 4.723 20.460 ( 2.530 1.943 7.240) 7.911 20.512 ( -1.420 -3.598 1.601) 4.187 21.368 ( -4.478 10.764 -2.693) 11.965 21.556 ( -0.059 -8.195 -3.424) 8.882 23.710 ( -1.852 2.345 0.427) 3.019 23.749 ( -0.372 -1.381 0.660) 1.575 23.843 ( 2.669 1.229 -1.591) 3.341 23.875 ( 2.271 -1.822 -2.635) 3.927 ======================= Grid point 157 (90/129) ======================= q-point: (-0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -4.743 5.205 -7.669) 10.412 0.867 ( 0.471 -2.019 -4.429) 4.891 1.082 ( -2.948 5.954 0.799) 6.692 1.137 ( -3.002 3.211 -5.916) 7.371 1.174 ( -2.024 -3.866 0.158) 4.367 1.240 ( 2.226 0.750 0.746) 2.465 1.294 ( 1.980 -2.917 1.700) 3.914 1.416 ( 1.267 -11.497 -2.544) 11.843 1.660 ( -1.187 7.561 2.175) 7.957 1.762 ( 1.047 -2.947 0.223) 3.136 1.940 ( 0.408 6.702 -1.553) 6.892 2.047 ( 1.908 -2.211 -1.866) 3.466 2.080 ( 2.648 2.982 -0.532) 4.024 2.184 ( 1.370 -7.256 -2.555) 7.814 2.617 ( -2.751 4.082 -0.949) 5.013 2.724 ( 0.727 -5.748 0.914) 5.866 2.958 ( 4.207 4.339 -1.073) 6.138 3.036 ( 6.943 -2.801 -1.084) 7.564 3.194 ( -1.596 7.398 0.959) 7.629 3.322 ( -0.743 -3.968 -0.446) 4.061 3.608 ( -3.947 2.981 -1.346) 5.126 3.708 ( -3.234 -5.610 -0.764) 6.520 3.902 ( 4.911 1.661 2.363) 5.697 3.938 ( 3.640 -1.830 -0.835) 4.159 4.053 ( 4.591 2.077 6.493) 8.219 4.097 ( 3.144 -1.937 2.901) 4.696 4.365 ( 2.013 1.199 -2.384) 3.343 4.398 ( 1.444 -1.936 -2.754) 3.663 6.895 ( 4.085 17.067 0.838) 17.569 7.173 ( 7.423 -5.497 -3.039) 9.724 7.597 ( -2.595 1.677 5.099) 5.962 7.796 ( -1.451 -12.536 -1.810) 12.749 8.125 ( 0.232 2.735 2.824) 3.938 8.212 ( 0.562 -5.918 3.987) 7.158 8.612 ( -0.001 5.181 -3.024) 5.999 8.705 ( 1.262 -3.708 -3.277) 5.107 8.930 ( -3.718 3.195 -2.152) 5.354 8.942 ( -3.447 1.210 -0.599) 3.702 9.087 ( -3.313 0.255 -0.448) 3.353 9.135 ( -1.066 -3.732 1.825) 4.289 13.480 ( -0.974 9.917 2.102) 10.184 13.700 ( 0.344 -9.605 -0.730) 9.639 13.965 ( 1.423 8.063 -0.302) 8.193 14.223 ( 2.384 -15.344 -3.933) 16.018 15.246 ( -0.386 13.903 -0.334) 13.913 15.349 ( 1.623 4.562 2.021) 5.247 15.640 ( 2.171 -3.048 3.817) 5.345 15.675 ( 1.447 -7.143 -2.444) 7.687 18.714 ( 3.017 3.878 -4.907) 6.945 18.799 ( 3.090 -4.428 -4.807) 7.229 19.565 ( -0.920 3.976 1.350) 4.299 19.661 ( 1.639 -5.676 1.957) 6.224 20.499 ( 0.536 3.558 2.501) 4.382 20.559 ( 3.247 -2.230 6.570) 7.660 21.257 ( -5.917 13.980 -2.400) 15.369 21.526 ( -1.526 -12.830 -3.028) 13.271 23.688 ( -0.737 3.744 1.264) 4.020 23.755 ( 0.498 -2.862 1.559) 3.297 23.882 ( 2.340 1.237 -2.931) 3.949 23.908 ( 2.394 -1.158 -3.356) 4.282 ======================= Grid point 158 (91/129) ======================= q-point: (-0.25 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -3.743 9.844 -1.766) 10.678 0.850 ( -1.166 -8.240 -0.045) 8.322 1.006 ( -5.788 3.798 2.344) 7.309 1.095 ( 1.506 8.352 -5.654) 10.197 1.118 ( -3.753 -7.178 0.184) 8.102 1.244 ( -0.248 -4.658 -1.907) 5.040 1.367 ( 2.332 1.406 5.209) 5.878 1.447 ( 1.238 -6.402 2.067) 6.840 1.625 ( -3.386 9.735 2.359) 10.574 1.792 ( 2.082 -6.709 -0.734) 7.063 1.925 ( -1.452 8.425 -1.153) 8.626 2.081 ( 1.518 -5.600 0.169) 5.804 2.146 ( 4.398 2.504 1.591) 5.304 2.227 ( 4.219 -6.159 -1.012) 7.534 2.580 ( 0.230 5.875 -2.275) 6.304 2.727 ( 0.457 -8.091 -1.367) 8.219 3.005 ( 0.297 6.906 -3.155) 7.598 3.125 ( 2.223 -4.859 -2.321) 5.826 3.195 ( 0.107 8.654 3.840) 9.468 3.303 ( -0.977 -0.339 0.158) 1.046 3.560 ( 0.145 -1.047 -0.099) 1.062 3.624 ( -4.484 -6.414 -2.046) 8.089 3.990 ( 2.824 0.819 -0.371) 2.964 3.994 ( 4.042 0.415 -0.083) 4.064 4.178 ( 5.053 -0.466 2.350) 5.592 4.188 ( 4.231 -1.072 3.545) 5.623 4.389 ( 1.530 0.628 -1.840) 2.474 4.408 ( 0.846 -1.087 -2.568) 2.914 7.000 ( 6.185 16.298 1.628) 17.508 7.302 ( 6.622 -10.334 -1.545) 12.370 7.549 ( -4.186 6.118 4.207) 8.524 7.753 ( -2.085 -10.104 -0.667) 10.339 8.164 ( 2.809 2.764 0.398) 3.961 8.254 ( 2.317 -6.317 1.874) 6.985 8.619 ( 1.439 5.528 -0.305) 5.720 8.716 ( 0.835 -3.238 -0.715) 3.420 8.822 ( -5.113 0.950 -2.907) 5.958 8.856 ( -5.344 -1.314 -1.047) 5.602 9.035 ( -2.862 3.267 1.335) 4.544 9.108 ( -2.665 -3.443 1.278) 4.538 13.477 ( -0.364 9.584 2.389) 9.884 13.702 ( 0.060 -11.670 -0.206) 11.672 13.998 ( 2.218 9.017 -0.955) 9.335 14.247 ( 1.931 -14.886 -3.914) 15.513 15.239 ( 0.181 14.588 -1.088) 14.630 15.389 ( 1.415 1.182 1.919) 2.661 15.688 ( 1.002 -2.597 3.378) 4.377 15.706 ( 2.320 -5.306 -0.946) 5.868 18.773 ( 5.228 4.162 -3.729) 7.652 18.857 ( 5.152 -3.846 -3.150) 7.159 19.548 ( -0.705 6.138 -0.931) 6.248 19.688 ( 1.199 -7.962 -1.127) 8.130 20.547 ( 2.827 7.018 3.888) 8.506 20.649 ( 2.612 -3.153 7.077) 8.176 21.119 ( -7.082 16.877 -3.011) 18.549 21.469 ( -3.109 -17.519 -2.784) 18.009 23.696 ( 0.920 5.177 1.664) 5.515 23.783 ( 1.529 -3.507 1.937) 4.289 23.902 ( 1.310 1.616 -4.333) 4.807 23.934 ( 1.849 -1.360 -3.404) 4.105 ======================= Grid point 159 (92/129) ======================= q-point: (-0.17 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 0.142 11.296 5.388) 12.516 0.823 ( -2.798 -5.817 3.089) 7.156 0.908 ( -4.830 2.205 3.899) 6.587 1.026 ( -5.263 -7.848 0.666) 9.473 1.124 ( 2.740 5.259 -4.355) 7.357 1.234 ( 0.048 -4.387 -1.742) 4.721 1.397 ( -1.199 1.806 3.251) 3.907 1.472 ( -0.276 -5.277 3.688) 6.443 1.563 ( -3.896 14.214 3.005) 15.041 1.834 ( 2.372 -11.404 -0.294) 11.652 1.880 ( -2.363 9.978 -0.624) 10.273 2.085 ( -1.501 -10.337 2.395) 10.716 2.277 ( 7.610 2.929 3.017) 8.694 2.340 ( 7.184 -3.680 1.381) 8.189 2.600 ( 2.636 5.828 -2.910) 7.027 2.737 ( 1.361 -7.282 -1.540) 7.566 2.966 ( -2.134 7.876 -2.586) 8.560 3.088 ( -4.408 -0.399 -0.595) 4.466 3.183 ( -1.721 2.814 -0.784) 3.390 3.310 ( 0.049 -3.785 1.383) 4.030 3.544 ( -1.699 0.179 -0.639) 1.824 3.608 ( 3.105 -4.924 2.342) 6.275 4.036 ( 2.513 2.236 -1.832) 3.830 4.065 ( 3.118 -0.094 0.183) 3.124 4.252 ( 2.509 -1.208 -0.815) 2.901 4.262 ( 1.787 -1.725 0.058) 2.484 4.412 ( 1.547 0.123 -0.408) 1.605 4.413 ( 0.771 0.049 -1.093) 1.339 7.140 ( 6.741 13.052 2.935) 14.981 7.392 ( 1.826 -12.110 2.927) 12.592 7.499 ( -1.237 11.543 0.373) 11.615 7.718 ( -0.921 -9.559 -1.056) 9.661 8.230 ( 3.791 2.779 -0.237) 4.706 8.312 ( 2.802 -5.482 0.703) 6.197 8.648 ( 0.195 5.567 -0.440) 5.588 8.699 ( -2.799 2.387 0.931) 3.795 8.747 ( -4.226 -2.631 -0.798) 5.042 8.757 ( -0.506 -4.998 0.649) 5.066 8.976 ( -3.702 2.843 0.623) 4.709 9.043 ( -4.232 -3.196 -0.204) 5.307 13.487 ( 0.199 8.966 2.777) 9.389 13.702 ( 0.054 -11.848 -0.010) 11.848 14.038 ( 2.273 8.054 -1.181) 8.452 14.260 ( 1.199 -13.853 -3.840) 14.426 15.245 ( 0.903 14.820 -1.029) 14.883 15.413 ( 0.252 -1.039 0.857) 1.370 15.709 ( -0.568 -1.600 3.408) 3.807 15.741 ( 1.620 -5.323 -0.761) 5.616 18.878 ( 6.608 4.686 -1.910) 8.323 18.975 ( 7.994 -4.449 -1.264) 9.235 19.549 ( 2.497 8.839 -2.588) 9.543 19.715 ( 3.188 -7.718 -3.398) 9.015 20.622 ( 1.616 6.115 6.068) 8.765 20.707 ( -0.338 -0.637 6.664) 6.703 20.974 ( -5.193 17.763 -4.409) 19.024 21.380 ( -4.993 -20.919 -2.336) 21.633 23.737 ( 2.671 5.975 0.507) 6.565 23.826 ( 2.005 -3.205 0.706) 3.845 23.892 ( -0.043 2.923 -4.291) 5.192 23.949 ( 1.137 -2.548 -2.296) 3.614 ======================= Grid point 160 (93/129) ======================= q-point: (-0.08 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 2.754 7.976 9.298) 12.556 0.763 ( -4.021 5.011 6.357) 9.039 0.890 ( 0.314 -4.935 4.907) 6.967 0.938 ( -3.908 -7.878 1.916) 9.001 1.149 ( 1.592 2.765 -3.387) 4.653 1.226 ( -0.134 -3.798 -1.757) 4.187 1.367 ( -2.459 1.803 0.565) 3.101 1.455 ( -2.580 -6.416 1.108) 7.004 1.528 ( -1.501 19.291 5.971) 20.249 1.825 ( -2.166 8.507 -0.641) 8.801 1.894 ( 2.815 -12.914 1.154) 13.268 2.043 ( -4.117 -10.142 1.757) 11.086 2.432 ( 6.233 3.200 3.308) 7.748 2.499 ( 7.604 -3.221 3.751) 9.070 2.632 ( 1.577 5.876 -3.511) 7.024 2.760 ( 1.031 -6.321 -1.236) 6.523 2.924 ( -1.239 6.940 0.658) 7.081 3.013 ( -1.514 1.956 0.591) 2.543 3.149 ( -1.704 -1.507 1.059) 2.509 3.285 ( -1.607 -10.393 -0.729) 10.542 3.564 ( 2.283 6.932 2.567) 7.737 3.679 ( 2.973 -4.470 1.801) 5.662 4.061 ( 1.047 3.031 -3.167) 4.507 4.107 ( 1.047 -0.494 -0.454) 1.244 4.258 ( -0.993 -0.952 -2.263) 2.648 4.272 ( 0.285 -2.523 -1.749) 3.083 4.430 ( 1.189 0.755 0.218) 1.425 4.443 ( 1.520 -0.495 0.169) 1.608 7.239 ( 0.378 8.981 5.439) 10.506 7.414 ( -1.217 -7.911 5.737) 9.848 7.519 ( 4.498 11.961 -3.226) 13.180 7.719 ( 1.881 -7.565 -3.099) 8.389 8.285 ( 0.978 1.836 1.295) 2.451 8.350 ( 0.483 -4.193 0.042) 4.221 8.609 ( -0.736 4.067 -0.133) 4.135 8.660 ( -2.250 -1.234 0.275) 2.581 8.724 ( 1.064 0.715 2.784) 3.065 8.769 ( 0.189 -3.940 0.474) 3.973 8.908 ( -3.268 0.451 -0.393) 3.322 8.955 ( -3.924 -3.213 -1.570) 5.309 13.510 ( 0.722 8.205 3.092) 8.798 13.706 ( 0.427 -10.837 -0.192) 10.847 14.071 ( 1.598 6.246 -1.043) 6.531 14.258 ( 0.331 -12.169 -3.684) 12.719 15.264 ( 1.311 13.898 -0.399) 13.965 15.395 ( -2.495 0.684 -0.232) 2.597 15.694 ( -2.514 -0.759 3.262) 4.188 15.760 ( 0.956 -7.253 -1.219) 7.417 18.986 ( 4.576 5.548 -0.646) 7.221 19.110 ( 4.972 -6.650 -0.803) 8.342 19.658 ( 10.033 7.638 -2.733) 12.902 19.791 ( 6.166 -5.722 -4.028) 9.326 20.627 ( -3.136 7.137 4.167) 8.839 20.688 ( -2.477 7.688 3.093) 8.649 20.934 ( 1.972 6.954 -0.837) 7.276 21.257 ( -7.072 -19.545 -0.722) 20.798 23.778 ( 1.152 5.031 -3.515) 6.244 23.827 ( -1.210 -0.142 -4.342) 4.510 23.906 ( 3.045 2.178 1.168) 3.922 23.967 ( 1.575 -3.156 -0.231) 3.535 ======================= Grid point 185 (94/129) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 1.515 0.000 11.294) 11.395 0.868 ( -5.956 0.000 9.919) 11.570 1.016 ( 2.208 0.000 -2.063) 3.022 1.033 ( 2.666 0.000 -6.174) 6.725 1.184 ( 1.931 0.000 6.096) 6.394 1.233 ( -3.319 0.000 -0.548) 3.364 1.285 ( 0.219 0.000 -2.428) 2.438 1.302 ( 1.103 0.000 -4.803) 4.928 1.497 ( 1.859 0.000 8.934) 9.125 1.672 ( -3.021 0.000 -6.120) 6.824 1.978 ( -9.702 0.000 2.133) 9.934 2.043 ( 6.456 0.000 -4.580) 7.916 2.515 ( -1.957 0.000 4.563) 4.965 2.603 ( 3.427 0.000 -2.919) 4.502 2.690 ( -4.525 0.000 1.191) 4.679 2.704 ( 4.442 0.000 -0.289) 4.452 3.157 ( 9.006 0.000 8.340) 12.275 3.271 ( -2.927 0.000 -0.304) 2.942 3.364 ( -3.749 0.000 5.999) 7.074 3.401 ( 2.950 0.000 -1.997) 3.562 3.417 ( -4.188 0.000 -7.634) 8.708 3.480 ( 2.558 0.000 -5.112) 5.716 4.141 ( 2.840 0.000 0.976) 3.003 4.169 ( -3.333 0.000 2.201) 3.994 4.175 ( -0.404 0.000 -0.469) 0.619 4.260 ( 0.302 0.000 -5.014) 5.023 4.437 ( 0.572 0.000 -0.185) 0.602 4.444 ( 0.438 0.000 -0.742) 0.862 7.150 ( 4.139 0.000 0.544) 4.175 7.155 ( -4.574 0.000 0.066) 4.574 7.571 ( 4.279 0.000 3.438) 5.489 7.636 ( -3.774 0.000 -2.986) 4.813 8.328 ( -2.924 0.000 3.227) 4.355 8.395 ( 3.061 0.000 -3.360) 4.545 8.663 ( 6.214 0.000 2.491) 6.695 8.712 ( -6.574 0.000 -1.971) 6.863 8.810 ( -0.928 0.000 2.558) 2.721 8.842 ( 0.627 0.000 -1.124) 1.288 8.982 ( 1.185 0.000 0.804) 1.432 9.014 ( 0.260 0.000 -2.113) 2.129 13.518 ( 1.164 0.000 6.059) 6.170 13.642 ( -1.158 0.000 -6.056) 6.166 14.591 ( -0.462 0.000 4.921) 4.943 14.635 ( 5.134 0.000 2.976) 5.935 14.729 ( -9.137 0.000 -3.410) 9.753 14.735 ( 2.015 0.000 -6.650) 6.948 15.831 ( -4.083 0.000 5.355) 6.734 15.924 ( 3.226 0.000 -3.856) 5.027 18.994 ( 1.019 0.000 3.878) 4.009 19.091 ( -2.060 0.000 -5.538) 5.909 19.920 ( -10.509 0.000 0.579) 10.525 19.947 ( 11.174 0.000 -2.141) 11.378 20.273 ( 29.755 0.000 1.488) 29.792 20.300 ( -20.628 0.000 -1.030) 20.654 21.311 ( 11.912 0.000 5.499) 13.120 21.412 ( -15.505 0.000 -4.478) 16.139 23.577 ( -0.416 0.000 4.863) 4.881 23.678 ( 0.570 0.000 -5.020) 5.052 23.991 ( 3.605 0.000 0.677) 3.668 24.009 ( -1.873 0.000 -1.041) 2.143 ======================= Grid point 186 (95/129) ======================= q-point: ( 0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -7.694 0.000 10.891) 13.335 0.941 ( 1.439 0.000 5.609) 5.790 1.049 ( 3.192 0.000 -6.153) 6.932 1.057 ( 2.117 0.000 -4.849) 5.291 1.197 ( -0.552 0.000 2.464) 2.525 1.238 ( 0.999 0.000 2.963) 3.127 1.291 ( 1.975 0.000 -3.224) 3.781 1.329 ( 4.084 0.000 -2.402) 4.738 1.581 ( -2.886 0.000 -6.793) 7.381 1.606 ( 4.044 0.000 9.897) 10.692 1.837 ( -6.265 0.000 4.402) 7.657 2.139 ( 4.501 0.000 -0.562) 4.536 2.479 ( -3.261 0.000 3.355) 4.679 2.599 ( -4.416 0.000 0.534) 4.448 2.623 ( -0.720 0.000 -5.261) 5.310 2.797 ( 5.270 0.000 -0.130) 5.271 3.130 ( -7.702 0.000 -8.680) 11.604 3.295 ( -2.257 0.000 6.496) 6.877 3.319 ( -4.311 0.000 -1.908) 4.714 3.337 ( 1.977 0.000 4.009) 4.470 3.407 ( -0.421 0.000 -2.533) 2.567 3.506 ( 1.851 0.000 -3.583) 4.033 4.090 ( -5.160 0.000 1.938) 5.512 4.188 ( 0.736 0.000 1.848) 1.989 4.189 ( 0.938 0.000 -0.367) 1.007 4.250 ( 1.410 0.000 -2.681) 3.029 4.430 ( -1.503 0.000 -1.353) 2.023 4.433 ( -0.612 0.000 -1.228) 1.372 7.057 ( -5.044 0.000 -1.501) 5.263 7.180 ( -1.457 0.000 2.301) 2.724 7.601 ( 0.897 0.000 -2.688) 2.834 7.743 ( 11.509 0.000 2.050) 11.690 8.262 ( -5.031 0.000 3.111) 5.915 8.418 ( 1.127 0.000 -3.634) 3.805 8.535 ( -9.499 0.000 -0.732) 9.527 8.750 ( 0.374 0.000 1.332) 1.383 8.858 ( 5.829 0.000 2.843) 6.485 8.884 ( 3.122 0.000 -0.596) 3.178 9.011 ( 0.721 0.000 -3.533) 3.606 9.020 ( 2.233 0.000 -0.025) 2.233 13.555 ( -0.348 0.000 5.945) 5.955 13.579 ( -2.406 0.000 -5.912) 6.383 14.563 ( -4.690 0.000 -0.619) 4.730 14.616 ( -1.452 0.000 4.744) 4.961 14.685 ( 0.913 0.000 -4.720) 4.807 14.812 ( 5.852 0.000 3.060) 6.604 15.773 ( -4.509 0.000 5.701) 7.269 15.960 ( 2.199 0.000 -3.308) 3.972 19.027 ( -2.321 0.000 -4.447) 5.016 19.029 ( 0.261 0.000 5.372) 5.378 19.760 ( -6.025 0.000 0.224) 6.029 19.855 ( -21.621 0.000 -9.088) 23.453 20.165 ( 11.082 0.000 -1.399) 11.170 20.735 ( 19.043 0.000 -6.178) 20.020 21.083 ( -15.668 0.000 -1.033) 15.702 21.520 ( 6.246 0.000 7.845) 10.028 23.599 ( 0.489 0.000 4.726) 4.751 23.667 ( 0.590 0.000 -5.012) 5.047 23.963 ( -1.984 0.000 -1.915) 2.758 24.051 ( 2.302 0.000 -1.340) 2.663 ======================= Grid point 187 (96/129) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -8.823 0.000 10.071) 13.389 0.945 ( -1.322 0.000 -6.971) 7.095 1.063 ( 0.426 0.000 -1.043) 1.127 1.095 ( 4.798 0.000 -6.757) 8.287 1.221 ( 0.486 0.000 5.146) 5.168 1.266 ( 1.103 0.000 2.952) 3.151 1.347 ( 5.388 0.000 -3.400) 6.371 1.424 ( 5.914 0.000 -0.806) 5.968 1.518 ( -1.096 0.000 -3.158) 3.342 1.704 ( 2.187 0.000 4.739) 5.219 1.775 ( -2.298 0.000 3.483) 4.173 2.199 ( 0.748 0.000 3.693) 3.768 2.428 ( -2.970 0.000 0.377) 2.993 2.482 ( -8.014 0.000 -1.351) 8.127 2.561 ( -2.839 0.000 -5.320) 6.030 2.899 ( 5.390 0.000 -1.285) 5.541 2.969 ( -3.848 0.000 -8.046) 8.919 3.219 ( -5.027 0.000 -2.424) 5.581 3.245 ( -5.573 0.000 0.592) 5.604 3.277 ( -3.548 0.000 -2.471) 4.324 3.473 ( 2.977 0.000 8.539) 9.043 3.520 ( 1.066 0.000 -2.178) 2.425 3.984 ( -7.442 0.000 5.226) 9.094 4.172 ( -1.520 0.000 -1.328) 2.018 4.218 ( 1.158 0.000 2.286) 2.563 4.285 ( 1.856 0.000 -0.452) 1.910 4.375 ( -3.372 0.000 -1.323) 3.623 4.406 ( -1.142 0.000 -2.951) 3.164 6.941 ( -5.867 0.000 -4.601) 7.456 7.123 ( -5.914 0.000 4.063) 7.176 7.635 ( 3.337 0.000 -0.624) 3.395 7.983 ( 11.466 0.000 -0.823) 11.496 8.194 ( -2.341 0.000 3.976) 4.613 8.335 ( -7.307 0.000 -1.114) 7.392 8.456 ( 0.840 0.000 -0.434) 0.945 8.723 ( -2.471 0.000 -0.237) 2.483 8.934 ( 1.689 0.000 0.050) 1.690 9.012 ( 1.583 0.000 -4.044) 4.343 9.014 ( 8.045 0.000 2.057) 8.304 9.049 ( 1.187 0.000 -2.394) 2.672 13.503 ( -2.683 0.000 -5.119) 5.780 13.556 ( -2.096 0.000 5.180) 5.588 14.500 ( -1.227 0.000 -0.845) 1.490 14.617 ( -1.309 0.000 5.558) 5.710 14.673 ( 0.585 0.000 -6.050) 6.078 14.920 ( 2.699 0.000 4.989) 5.672 15.715 ( -4.023 0.000 5.990) 7.216 15.975 ( 0.811 0.000 -2.999) 3.107 18.960 ( -2.887 0.000 -3.275) 4.365 19.020 ( -5.203 0.000 4.038) 6.586 19.465 ( -10.529 0.000 -11.735) 15.766 19.711 ( 0.263 0.000 1.233) 1.261 20.276 ( -2.461 0.000 2.298) 3.367 20.870 ( 0.575 0.000 -4.924) 4.958 20.990 ( 8.235 0.000 -6.382) 10.418 21.615 ( -0.146 0.000 8.816) 8.818 23.638 ( 1.373 0.000 4.431) 4.639 23.655 ( 0.401 0.000 -4.438) 4.456 23.921 ( -1.570 0.000 -1.824) 2.407 24.059 ( -0.503 0.000 -2.604) 2.652 ======================= Grid point 188 (97/129) ======================= q-point: ( 0.25 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -8.659 0.000 5.855) 10.453 0.834 ( -3.871 0.000 -15.622) 16.094 1.071 ( -0.068 0.000 1.314) 1.316 1.165 ( 4.733 0.000 -4.125) 6.278 1.253 ( 0.433 0.000 5.375) 5.393 1.315 ( 2.504 0.000 2.588) 3.601 1.444 ( 5.491 0.000 -2.599) 6.075 1.505 ( 0.119 0.000 -0.418) 0.435 1.530 ( 4.946 0.000 -0.375) 4.961 1.731 ( -0.424 0.000 -0.577) 0.717 1.766 ( 0.350 0.000 0.952) 1.014 2.200 ( -3.410 0.000 6.807) 7.613 2.287 ( -9.466 0.000 -3.683) 10.158 2.358 ( -3.496 0.000 -5.920) 6.875 2.489 ( -2.746 0.000 -1.907) 3.343 2.907 ( -0.876 0.000 -5.597) 5.665 2.969 ( 1.624 0.000 -3.140) 3.535 3.099 ( -5.491 0.000 -3.210) 6.360 3.123 ( -2.904 0.000 -1.812) 3.423 3.257 ( -0.023 0.000 2.649) 2.649 3.536 ( 1.384 0.000 -0.593) 1.506 3.567 ( 2.891 0.000 8.518) 8.995 3.863 ( -7.906 0.000 8.183) 11.379 4.124 ( -2.703 0.000 -2.396) 3.612 4.237 ( -1.188 0.000 3.763) 3.946 4.273 ( -4.218 0.000 1.023) 4.340 4.324 ( -0.321 0.000 -0.723) 0.791 4.372 ( -0.082 0.000 -5.426) 5.427 6.792 ( -6.611 0.000 -6.560) 9.314 6.991 ( -9.664 0.000 4.613) 10.708 7.720 ( 4.870 0.000 2.628) 5.534 8.100 ( 2.967 0.000 -2.566) 3.922 8.220 ( -4.345 0.000 1.023) 4.464 8.264 ( 5.712 0.000 2.909) 6.410 8.476 ( 0.999 0.000 -0.515) 1.124 8.675 ( -1.674 0.000 -0.668) 1.802 8.940 ( -0.648 0.000 -0.028) 0.649 9.032 ( -0.748 0.000 -5.834) 5.881 9.046 ( 3.213 0.000 -2.565) 4.112 9.170 ( 6.807 0.000 1.011) 6.881 13.436 ( -2.092 0.000 -3.930) 4.453 13.524 ( -3.184 0.000 3.840) 4.988 14.501 ( 1.404 0.000 -0.747) 1.590 14.613 ( -1.789 0.000 5.691) 5.966 14.657 ( 0.666 0.000 -5.880) 5.918 14.948 ( -1.623 0.000 3.229) 3.614 15.678 ( -2.575 0.000 6.042) 6.568 15.964 ( -0.560 0.000 -2.944) 2.997 18.854 ( -9.011 0.000 -4.944) 10.278 18.887 ( -3.378 0.000 -1.983) 3.917 19.381 ( 2.298 0.000 -2.017) 3.058 19.782 ( 5.858 0.000 3.362) 6.754 20.116 ( -12.655 0.000 4.609) 13.469 20.986 ( 11.318 0.000 -5.732) 12.687 21.063 ( 2.930 0.000 -9.136) 9.595 21.606 ( -4.616 0.000 9.098) 10.202 23.645 ( 0.519 0.000 -3.369) 3.409 23.687 ( 1.561 0.000 3.873) 4.176 23.885 ( -1.522 0.000 -1.274) 1.985 24.016 ( -2.365 0.000 -3.057) 3.865 ======================= Grid point 189 (98/129) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -3.655 0.000 -1.576) 3.980 0.694 ( -2.741 0.000 -14.844) 15.095 1.059 ( -2.032 0.000 1.478) 2.513 1.227 ( 2.513 0.000 -0.526) 2.567 1.283 ( 0.279 0.000 4.621) 4.629 1.367 ( 1.647 0.000 -0.152) 1.654 1.496 ( -0.489 0.000 -0.074) 0.495 1.530 ( 4.157 0.000 -3.015) 5.135 1.598 ( 1.478 0.000 1.499) 2.105 1.692 ( -1.375 0.000 -5.078) 5.261 1.801 ( 3.149 0.000 -2.114) 3.793 2.059 ( -8.778 0.000 -0.534) 8.795 2.203 ( -2.948 0.000 4.882) 5.703 2.239 ( -4.109 0.000 -11.189) 11.919 2.450 ( -1.064 0.000 3.086) 3.265 2.832 ( -4.263 0.000 -4.504) 6.201 2.896 ( -5.482 0.000 -3.553) 6.533 3.059 ( -0.435 0.000 0.434) 0.614 3.130 ( 3.466 0.000 1.576) 3.807 3.288 ( 2.931 0.000 -2.704) 3.987 3.566 ( 1.383 0.000 1.352) 1.935 3.663 ( 3.356 0.000 8.025) 8.698 3.772 ( -5.258 0.000 9.869) 11.182 4.042 ( -4.281 0.000 -4.576) 6.267 4.182 ( -5.388 0.000 1.607) 5.622 4.200 ( -3.801 0.000 2.272) 4.429 4.316 ( -0.755 0.000 1.108) 1.341 4.361 ( 1.290 0.000 -5.302) 5.457 6.650 ( -4.530 0.000 -6.434) 7.869 6.811 ( -10.579 0.000 3.954) 11.293 7.836 ( 4.996 0.000 5.724) 7.598 8.155 ( 3.991 0.000 -1.282) 4.192 8.173 ( -1.537 0.000 2.129) 2.626 8.320 ( -0.919 0.000 -1.079) 1.417 8.486 ( 0.336 0.000 -0.238) 0.411 8.680 ( 2.488 0.000 -1.205) 2.764 8.925 ( -0.798 0.000 0.054) 0.800 8.968 ( -2.564 0.000 -7.551) 7.974 9.104 ( 3.448 0.000 -0.514) 3.486 9.278 ( 4.116 0.000 -0.449) 4.140 13.391 ( -0.943 0.000 -2.724) 2.883 13.474 ( -3.420 0.000 2.366) 4.159 14.540 ( 2.748 0.000 -0.110) 2.750 14.601 ( -1.985 0.000 5.432) 5.784 14.647 ( 0.944 0.000 -5.146) 5.232 14.898 ( -4.069 0.000 0.442) 4.093 15.673 ( -0.760 0.000 5.798) 5.848 15.930 ( -1.511 0.000 -3.099) 3.448 18.705 ( -3.277 0.000 -6.521) 7.298 18.812 ( -3.815 0.000 -0.794) 3.896 19.449 ( 3.764 0.000 2.094) 4.307 19.900 ( -11.176 0.000 4.038) 11.883 19.954 ( 9.533 0.000 5.977) 11.252 21.022 ( -2.401 0.000 -10.114) 10.395 21.188 ( 11.786 0.000 -7.006) 13.711 21.534 ( -6.832 0.000 9.434) 11.648 23.648 ( 1.118 0.000 -2.026) 2.314 23.728 ( 1.003 0.000 2.820) 2.993 23.849 ( -1.739 0.000 -0.599) 1.839 23.952 ( -2.573 0.000 -3.033) 3.977 ======================= Grid point 190 (99/129) ======================= q-point: ( 0.42 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 5.892 0.000 -7.602) 9.618 0.603 ( -1.732 0.000 -9.438) 9.595 1.015 ( -2.503 0.000 2.466) 3.514 1.247 ( -0.972 0.000 0.091) 0.976 1.305 ( 0.442 0.000 2.209) 2.252 1.352 ( -1.997 0.000 -3.867) 4.352 1.484 ( -0.516 0.000 1.398) 1.491 1.591 ( 3.588 0.000 -3.278) 4.860 1.591 ( -1.884 0.000 0.888) 2.083 1.656 ( -0.528 0.000 -5.237) 5.263 1.853 ( 3.326 0.000 -3.307) 4.690 1.935 ( -3.812 0.000 -0.815) 3.899 2.144 ( -5.608 0.000 5.166) 7.625 2.150 ( 0.859 0.000 -9.951) 9.988 2.480 ( 1.474 0.000 5.177) 5.383 2.759 ( -0.804 0.000 0.907) 1.212 2.768 ( -5.630 0.000 -5.036) 7.553 3.030 ( -2.726 0.000 -1.259) 3.003 3.226 ( 4.006 0.000 3.314) 5.199 3.334 ( 3.446 0.000 -5.352) 6.365 3.589 ( -0.250 0.000 5.206) 5.212 3.767 ( 0.551 0.000 8.373) 8.391 3.769 ( 3.997 0.000 7.217) 8.250 3.924 ( -5.122 0.000 -6.314) 8.130 4.084 ( -5.266 0.000 0.581) 5.297 4.126 ( -3.979 0.000 -0.730) 4.045 4.310 ( -0.750 0.000 2.663) 2.767 4.366 ( 1.350 0.000 -4.061) 4.280 6.576 ( -0.210 0.000 -5.294) 5.298 6.640 ( -8.370 0.000 3.027) 8.901 7.958 ( 4.539 0.000 7.439) 8.715 8.171 ( -0.325 0.000 3.830) 3.844 8.225 ( 1.214 0.000 -0.851) 1.483 8.262 ( -1.028 0.000 -2.729) 2.917 8.494 ( 0.794 0.000 0.127) 0.804 8.699 ( -1.100 0.000 -5.036) 5.154 8.896 ( -0.413 0.000 -5.416) 5.432 8.908 ( -1.161 0.000 0.037) 1.162 9.172 ( 3.327 0.000 1.535) 3.664 9.321 ( 0.795 0.000 -1.746) 1.918 13.376 ( 0.505 0.000 -1.771) 1.842 13.419 ( -3.024 0.000 1.286) 3.286 14.582 ( -1.951 0.000 6.263) 6.559 14.607 ( 3.571 0.000 -0.599) 3.620 14.647 ( 1.000 0.000 -3.766) 3.896 14.812 ( -4.066 0.000 -2.202) 4.624 15.698 ( 0.704 0.000 5.393) 5.438 15.882 ( -1.802 0.000 -3.429) 3.874 18.667 ( 1.755 0.000 -5.683) 5.948 18.733 ( -4.194 0.000 -0.044) 4.194 19.531 ( 3.541 0.000 2.942) 4.604 19.735 ( -7.546 0.000 2.806) 8.050 20.186 ( 10.804 0.000 8.451) 13.717 20.883 ( -6.776 0.000 -11.837) 13.639 21.365 ( 9.912 0.000 -7.317) 12.320 21.437 ( -7.751 0.000 9.825) 12.514 23.671 ( 1.916 0.000 -0.793) 2.074 23.743 ( -0.678 0.000 1.038) 1.240 23.819 ( -0.947 0.000 0.615) 1.129 23.897 ( -1.660 0.000 -2.812) 3.266 ======================= Grid point 191 (100/129) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -4.822 0.000 -6.764) 8.307 0.527 ( 7.429 0.000 -7.854) 10.811 1.038 ( 3.807 0.000 5.487) 6.678 1.160 ( -5.347 0.000 -5.601) 7.744 1.314 ( -0.619 0.000 -0.576) 0.846 1.317 ( 0.021 0.000 0.024) 0.031 1.497 ( 0.702 0.000 3.376) 3.448 1.561 ( -1.365 0.000 -0.484) 1.448 1.607 ( -2.477 0.000 -2.524) 3.537 1.638 ( 2.667 0.000 -3.082) 4.076 1.886 ( -1.339 0.000 -1.891) 2.317 1.901 ( 3.275 0.000 -3.249) 4.614 2.049 ( -6.325 0.000 5.676) 8.499 2.177 ( 5.157 0.000 -7.087) 8.765 2.541 ( 3.490 0.000 4.419) 5.631 2.647 ( -3.907 0.000 -6.139) 7.277 2.833 ( 6.060 0.000 5.325) 8.067 2.945 ( -4.325 0.000 -5.023) 6.628 3.267 ( -2.076 0.000 4.618) 5.064 3.354 ( 0.266 0.000 -4.298) 4.306 3.643 ( 3.399 0.000 8.034) 8.723 3.799 ( -4.010 0.000 -7.108) 8.161 3.844 ( 3.205 0.000 5.443) 6.316 3.873 ( 3.079 0.000 3.397) 4.585 4.006 ( -2.020 0.000 1.592) 2.572 4.051 ( -2.408 0.000 -2.552) 3.508 4.309 ( -0.587 0.000 2.402) 2.473 4.374 ( 1.261 0.000 -3.503) 3.723 6.527 ( -4.608 0.000 2.560) 5.272 6.597 ( 4.672 0.000 -4.338) 6.375 8.075 ( 4.052 0.000 7.452) 8.483 8.150 ( -4.237 0.000 -2.061) 4.712 8.180 ( -1.349 0.000 5.203) 5.375 8.309 ( 3.253 0.000 -3.989) 5.147 8.531 ( 2.933 0.000 1.458) 3.275 8.590 ( -5.971 0.000 -5.749) 8.289 8.877 ( -2.075 0.000 -0.033) 2.075 8.907 ( 2.252 0.000 -2.901) 3.673 9.237 ( 2.202 0.000 2.849) 3.601 9.293 ( -2.496 0.000 -2.536) 3.558 13.373 ( -2.198 0.000 0.906) 2.377 13.395 ( 2.109 0.000 -1.224) 2.438 14.567 ( -2.119 0.000 5.376) 5.778 14.641 ( -1.029 0.000 -0.714) 1.252 14.688 ( 4.713 0.000 0.460) 4.735 14.738 ( -1.112 0.000 -5.922) 6.025 15.745 ( 1.551 0.000 5.053) 5.285 15.834 ( -1.402 0.000 -3.904) 4.148 18.655 ( -3.740 0.000 0.223) 3.747 18.705 ( 4.253 0.000 -4.788) 6.404 19.619 ( 4.589 0.000 2.698) 5.324 19.632 ( -4.489 0.000 1.499) 4.733 20.431 ( 9.926 0.000 10.339) 14.332 20.663 ( -10.078 0.000 -12.722) 16.230 21.326 ( -8.436 0.000 9.818) 12.944 21.504 ( 8.153 0.000 -7.550) 11.112 23.710 ( -2.563 0.000 0.067) 2.564 23.711 ( 2.341 0.000 -0.052) 2.341 23.824 ( 0.743 0.000 1.346) 1.537 23.864 ( -0.504 0.000 -2.685) 2.732 ======================= Grid point 192 (101/129) ======================= q-point: (-0.42 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 0.326 0.000 -7.423) 7.431 0.570 ( -0.155 0.000 -6.559) 6.561 1.073 ( -0.821 0.000 -3.378) 3.477 1.184 ( 6.899 0.000 6.344) 9.372 1.300 ( -1.726 0.000 0.222) 1.740 1.310 ( 0.285 0.000 0.711) 0.766 1.526 ( -2.901 0.000 1.807) 3.417 1.534 ( 1.162 0.000 4.216) 4.373 1.555 ( -1.124 0.000 -3.515) 3.690 1.656 ( 0.400 0.000 -2.481) 2.513 1.845 ( -2.064 0.000 -3.029) 3.665 1.955 ( 4.129 0.000 -2.708) 4.937 1.986 ( -1.892 0.000 6.486) 6.756 2.255 ( 5.316 0.000 -5.526) 7.668 2.571 ( -1.673 0.000 -4.645) 4.937 2.671 ( 7.517 0.000 4.396) 8.708 2.843 ( -2.829 0.000 -6.218) 6.831 2.986 ( 6.513 0.000 3.128) 7.225 3.213 ( -4.918 0.000 6.542) 8.184 3.292 ( -4.649 0.000 -3.493) 5.815 3.703 ( -3.193 0.000 -6.045) 6.836 3.773 ( 5.283 0.000 7.870) 9.479 3.883 ( -0.541 0.000 -2.139) 2.206 3.899 ( 1.554 0.000 -4.435) 4.699 4.058 ( 3.905 0.000 1.613) 4.225 4.060 ( 4.016 0.000 6.650) 7.769 4.308 ( -0.252 0.000 0.813) 0.852 4.379 ( 0.864 0.000 -3.565) 3.668 6.491 ( -0.344 0.000 2.921) 2.941 6.711 ( 8.974 0.000 -4.012) 9.830 8.063 ( -3.962 0.000 -3.059) 5.005 8.130 ( -4.316 0.000 9.334) 10.283 8.207 ( 4.621 0.000 1.739) 4.937 8.301 ( -1.546 0.000 -8.371) 8.512 8.486 ( -2.367 0.000 0.524) 2.424 8.615 ( 4.069 0.000 3.355) 5.273 8.831 ( -2.514 0.000 0.752) 2.624 8.933 ( 1.535 0.000 -2.420) 2.866 9.211 ( -4.711 0.000 -2.214) 5.205 9.272 ( -0.140 0.000 2.893) 2.896 13.345 ( -1.119 0.000 1.239) 1.670 13.444 ( 3.564 0.000 -1.228) 3.769 14.552 ( -1.770 0.000 4.820) 5.135 14.594 ( -3.358 0.000 0.609) 3.412 14.722 ( 2.101 0.000 -7.655) 7.938 14.790 ( 5.544 0.000 0.969) 5.628 15.797 ( -0.424 0.000 -4.450) 4.470 15.800 ( 1.718 0.000 4.885) 5.179 18.603 ( -1.549 0.000 0.582) 1.655 18.770 ( 4.248 0.000 -3.804) 5.702 19.564 ( -3.316 0.000 0.082) 3.317 19.743 ( 7.499 0.000 2.093) 7.786 20.393 ( -11.692 0.000 -12.435) 17.068 20.649 ( 7.349 0.000 11.305) 13.484 21.197 ( -9.454 0.000 9.003) 13.055 21.615 ( 6.969 0.000 -7.521) 10.254 23.658 ( -2.785 0.000 0.504) 2.830 23.754 ( 1.978 0.000 -0.117) 1.981 23.851 ( 0.336 0.000 -2.612) 2.633 23.854 ( 1.767 0.000 1.404) 2.257 ======================= Grid point 193 (102/129) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 9.955 0.000 -7.427) 12.420 0.498 ( -4.066 0.000 1.257) 4.256 1.073 ( 0.620 0.000 -0.224) 0.659 1.212 ( -4.931 0.000 0.162) 4.934 1.334 ( 1.689 0.000 0.078) 1.691 1.340 ( 3.360 0.000 3.469) 4.830 1.464 ( -4.719 0.000 3.436) 5.838 1.528 ( -0.323 0.000 -3.447) 3.462 1.559 ( -1.932 0.000 5.257) 5.600 1.655 ( 1.931 0.000 -1.670) 2.553 1.796 ( -0.996 0.000 -2.322) 2.527 2.045 ( 4.411 0.000 7.161) 8.410 2.055 ( 7.431 0.000 -0.567) 7.453 2.317 ( 3.470 0.000 -5.562) 6.556 2.524 ( -1.417 0.000 -3.420) 3.702 2.801 ( 0.384 0.000 -2.059) 2.095 2.839 ( 7.619 0.000 2.351) 7.973 3.039 ( -2.716 0.000 2.712) 3.838 3.173 ( -5.281 0.000 -2.824) 5.989 3.214 ( 3.228 0.000 4.013) 5.150 3.615 ( -3.577 0.000 -3.770) 5.197 3.811 ( -1.813 0.000 -5.003) 5.322 3.931 ( 5.106 0.000 5.296) 7.356 3.931 ( 4.079 0.000 -5.570) 6.904 4.167 ( 5.419 0.000 2.703) 6.055 4.170 ( 3.880 0.000 6.845) 7.868 4.309 ( 0.637 0.000 -1.958) 2.059 4.373 ( 0.180 0.000 -3.704) 3.708 6.542 ( 4.053 0.000 3.965) 5.670 6.892 ( 11.250 0.000 -4.147) 11.990 7.948 ( -6.386 0.000 -5.079) 8.159 8.065 ( -5.448 0.000 7.628) 9.374 8.233 ( -1.080 0.000 -4.037) 4.179 8.305 ( 4.009 0.000 0.707) 4.071 8.477 ( -0.011 0.000 0.748) 0.748 8.671 ( 0.018 0.000 -0.076) 0.078 8.821 ( 0.788 0.000 6.071) 6.122 8.945 ( 0.892 0.000 -1.943) 2.138 9.104 ( -5.406 0.000 -0.665) 5.447 9.254 ( -2.935 0.000 1.863) 3.476 13.342 ( -0.004 0.000 2.064) 2.064 13.516 ( 4.473 0.000 -1.837) 4.836 14.534 ( -2.928 0.000 0.214) 2.936 14.544 ( -1.209 0.000 4.589) 4.746 14.733 ( 2.405 0.000 -7.436) 7.815 14.906 ( 5.986 0.000 0.537) 6.010 15.780 ( 0.941 0.000 -4.920) 5.009 15.851 ( 1.204 0.000 4.871) 5.017 18.615 ( 2.524 0.000 2.048) 3.250 18.828 ( 3.187 0.000 -2.395) 3.987 19.493 ( -3.876 0.000 -1.447) 4.137 19.928 ( 10.681 0.000 1.511) 10.787 20.118 ( -11.079 0.000 -10.845) 15.503 20.804 ( 3.085 0.000 11.403) 11.813 21.043 ( -10.160 0.000 7.053) 12.368 21.706 ( 5.988 0.000 -7.339) 9.471 23.613 ( -2.313 0.000 1.464) 2.737 23.778 ( 0.733 0.000 -1.693) 1.844 23.853 ( 0.873 0.000 -1.617) 1.837 23.904 ( 2.627 0.000 1.668) 3.112 ======================= Grid point 194 (103/129) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 1.391 0.000 14.968) 15.032 0.664 ( 10.525 0.000 -5.855) 12.044 1.075 ( -0.674 0.000 0.757) 1.013 1.093 ( -7.203 0.000 1.900) 7.449 1.352 ( -0.244 0.000 -1.959) 1.974 1.365 ( -0.684 0.000 -1.873) 1.995 1.375 ( -5.815 0.000 3.630) 6.855 1.508 ( -0.572 0.000 -1.695) 1.789 1.508 ( -4.345 0.000 2.260) 4.898 1.711 ( 2.668 0.000 1.187) 2.920 1.801 ( 2.780 0.000 -3.092) 4.158 2.199 ( 7.337 0.000 8.210) 11.011 2.227 ( 9.062 0.000 2.563) 9.417 2.341 ( 2.617 0.000 -6.010) 6.555 2.490 ( -0.989 0.000 -2.622) 2.802 2.818 ( 0.502 0.000 2.626) 2.673 2.921 ( -2.319 0.000 2.135) 3.152 3.032 ( 3.743 0.000 3.152) 4.893 3.097 ( -1.228 0.000 0.491) 1.322 3.304 ( 4.752 0.000 -1.602) 5.015 3.536 ( -3.292 0.000 -1.253) 3.523 3.745 ( -1.789 0.000 -8.356) 8.545 3.994 ( 4.226 0.000 -3.500) 5.488 4.042 ( 3.730 0.000 5.150) 6.359 4.253 ( 1.342 0.000 4.776) 4.961 4.273 ( 4.349 0.000 1.886) 4.740 4.324 ( 2.926 0.000 -4.112) 5.047 4.353 ( -0.631 0.000 -3.566) 3.622 6.676 ( 7.481 0.000 4.680) 8.824 7.079 ( 9.397 0.000 -4.123) 10.262 7.784 ( -7.950 0.000 -3.795) 8.809 8.008 ( -3.685 0.000 6.480) 7.454 8.236 ( 2.219 0.000 -0.405) 2.256 8.335 ( -0.751 0.000 -3.646) 3.722 8.476 ( -0.278 0.000 -0.462) 0.539 8.661 ( 0.586 0.000 0.182) 0.614 8.889 ( 2.029 0.000 8.088) 8.339 8.953 ( 0.646 0.000 -1.299) 1.450 9.003 ( -5.193 0.000 1.498) 5.404 9.178 ( -5.248 0.000 0.204) 5.252 13.363 ( 0.972 0.000 3.158) 3.305 13.593 ( 4.464 0.000 -2.947) 5.349 14.490 ( -1.631 0.000 0.270) 1.653 14.547 ( -0.678 0.000 4.631) 4.681 14.744 ( 2.101 0.000 -7.326) 7.621 15.012 ( 4.785 0.000 -1.955) 5.169 15.790 ( 2.414 0.000 -5.106) 5.648 15.886 ( 0.087 0.000 4.928) 4.929 18.736 ( 8.899 0.000 5.593) 10.511 18.874 ( 2.395 0.000 -0.676) 2.488 19.401 ( -4.679 0.000 -2.473) 5.292 19.889 ( -7.783 0.000 -8.014) 11.172 20.150 ( 10.816 0.000 1.565) 10.928 20.821 ( -8.156 0.000 10.221) 13.076 20.923 ( -2.673 0.000 4.696) 5.403 21.773 ( 4.136 0.000 -7.361) 8.443 23.584 ( -1.694 0.000 2.682) 3.172 23.766 ( -0.543 0.000 -3.812) 3.851 23.868 ( 0.936 0.000 0.018) 0.936 23.966 ( 2.762 0.000 1.864) 3.332 ======================= Grid point 195 (104/129) ======================= q-point: (-0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 6.180 0.000 18.438) 19.446 0.794 ( 3.108 0.000 0.801) 3.210 0.993 ( -2.138 0.000 -0.370) 2.170 1.056 ( -1.489 0.000 0.855) 1.717 1.250 ( -8.152 0.000 6.542) 10.452 1.327 ( -1.529 0.000 -2.898) 3.277 1.337 ( -0.360 0.000 -5.056) 5.069 1.423 ( -4.799 0.000 -0.386) 4.814 1.488 ( -1.079 0.000 -0.462) 1.174 1.747 ( 0.740 0.000 0.238) 0.778 1.861 ( 5.005 0.000 -5.121) 7.161 2.301 ( -1.738 0.000 -5.489) 5.758 2.376 ( 7.264 0.000 5.544) 9.138 2.450 ( 5.896 0.000 3.371) 6.791 2.476 ( 3.525 0.000 0.646) 3.584 2.837 ( 0.707 0.000 4.396) 4.453 2.853 ( -4.902 0.000 3.262) 5.888 3.144 ( 5.555 0.000 2.390) 6.047 3.148 ( 4.829 0.000 4.785) 6.798 3.376 ( 4.281 0.000 -4.527) 6.231 3.478 ( -2.960 0.000 1.512) 3.324 3.665 ( -2.377 0.000 -9.942) 10.222 4.051 ( 2.361 0.000 0.189) 2.369 4.117 ( 1.963 0.000 4.020) 4.473 4.269 ( 0.805 0.000 -3.167) 3.267 4.307 ( -2.080 0.000 -1.791) 2.745 4.358 ( 3.283 0.000 -0.072) 3.284 4.379 ( 3.152 0.000 -0.801) 3.252 6.854 ( 8.632 0.000 3.817) 9.438 7.194 ( 3.967 0.000 -2.846) 4.882 7.631 ( -6.457 0.000 -0.489) 6.476 7.951 ( -6.166 0.000 2.253) 6.565 8.287 ( 0.351 0.000 -5.238) 5.249 8.300 ( 3.318 0.000 2.233) 3.999 8.470 ( 0.881 0.000 -1.512) 1.750 8.701 ( 2.358 0.000 1.838) 2.990 8.915 ( -4.770 0.000 2.787) 5.524 8.957 ( 1.409 0.000 5.933) 6.098 8.962 ( 0.327 0.000 -0.049) 0.331 9.063 ( -6.035 0.000 -1.696) 6.269 13.406 ( 1.633 0.000 4.392) 4.685 13.653 ( 3.201 0.000 -4.312) 5.371 14.481 ( 0.705 0.000 0.871) 1.121 14.558 ( -0.378 0.000 4.781) 4.796 14.747 ( 1.631 0.000 -7.329) 7.509 15.043 ( -0.444 0.000 -6.272) 6.288 15.825 ( 3.518 0.000 -4.929) 6.055 15.896 ( -1.420 0.000 5.002) 5.199 18.916 ( 1.908 0.000 1.020) 2.163 19.025 ( 17.416 0.000 6.859) 18.718 19.313 ( -2.136 0.000 0.711) 2.251 19.766 ( -1.597 0.000 -4.812) 5.070 20.277 ( -1.431 0.000 2.326) 2.731 20.727 ( -3.720 0.000 8.517) 9.294 20.909 ( -0.131 0.000 2.201) 2.205 21.782 ( -0.244 0.000 -7.769) 7.773 23.571 ( -1.243 0.000 3.832) 4.029 23.730 ( -0.984 0.000 -4.654) 4.756 23.889 ( 1.061 0.000 1.159) 1.571 24.018 ( 1.617 0.000 1.517) 2.217 ======================= Grid point 196 (105/129) ======================= q-point: (-0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -1.465 0.000 10.239) 10.343 0.846 ( 4.039 0.000 12.524) 13.160 1.005 ( 3.124 0.000 -5.747) 6.541 1.022 ( -2.747 0.000 1.586) 3.172 1.155 ( -3.724 0.000 8.423) 9.210 1.290 ( -1.183 0.000 -2.172) 2.474 1.311 ( 0.245 0.000 -5.081) 5.087 1.328 ( -4.234 0.000 -1.801) 4.601 1.468 ( -0.954 0.000 2.202) 2.400 1.737 ( -1.383 0.000 -2.654) 2.993 1.943 ( 6.283 0.000 -6.392) 8.963 2.167 ( -8.780 0.000 -3.302) 9.380 2.503 ( 0.856 0.000 5.080) 5.151 2.517 ( 5.873 0.000 0.762) 5.922 2.617 ( 5.741 0.000 -0.439) 5.757 2.772 ( -4.805 0.000 2.374) 5.360 2.941 ( 7.609 0.000 8.868) 11.685 3.248 ( 3.350 0.000 3.436) 4.799 3.286 ( 6.561 0.000 3.096) 7.254 3.428 ( -3.655 0.000 3.895) 5.342 3.430 ( 3.660 0.000 -5.524) 6.627 3.558 ( -3.943 0.000 -10.428) 11.148 4.091 ( 1.678 0.000 1.798) 2.459 4.157 ( 0.550 0.000 3.210) 3.257 4.245 ( -3.221 0.000 -2.081) 3.835 4.269 ( 1.201 0.000 -5.631) 5.758 4.412 ( 2.051 0.000 0.338) 2.079 4.424 ( 1.807 0.000 -0.379) 1.846 7.026 ( 7.723 0.000 1.512) 7.870 7.212 ( -0.943 0.000 -0.861) 1.277 7.546 ( -2.592 0.000 2.553) 3.638 7.782 ( -9.483 0.000 -2.118) 9.717 8.330 ( 4.819 0.000 -3.583) 6.005 8.345 ( -0.389 0.000 3.520) 3.541 8.532 ( 6.046 0.000 -0.295) 6.053 8.747 ( 1.268 0.000 1.486) 1.953 8.844 ( -3.815 0.000 3.484) 5.166 8.918 ( -5.712 0.000 -2.825) 6.372 8.968 ( 0.202 0.000 0.497) 0.537 9.012 ( 0.483 0.000 0.992) 1.103 13.462 ( 1.778 0.000 5.499) 5.779 13.671 ( 0.955 0.000 -5.486) 5.568 14.530 ( 3.774 0.000 2.008) 4.275 14.574 ( -0.269 0.000 4.936) 4.944 14.741 ( 1.262 0.000 -7.394) 7.501 14.928 ( -7.729 0.000 -7.215) 10.573 15.875 ( 3.726 0.000 -4.487) 5.832 15.876 ( -2.950 0.000 5.119) 5.908 18.956 ( 1.435 0.000 2.503) 2.885 19.156 ( -1.384 0.000 -6.742) 6.883 19.640 ( 29.008 0.000 12.734) 31.680 19.791 ( 6.139 0.000 -3.088) 6.872 20.135 ( -11.446 0.000 1.636) 11.562 20.619 ( -13.066 0.000 5.887) 14.330 21.046 ( 12.405 0.000 2.163) 12.592 21.672 ( -8.007 0.000 -7.383) 10.891 23.569 ( -0.920 0.000 4.607) 4.698 23.695 ( -0.245 0.000 -4.767) 4.773 23.926 ( 2.291 0.000 1.733) 2.873 24.034 ( -0.400 0.000 0.414) 0.576 ======================= Grid point 197 (106/129) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -3.806 -0.126 10.043) 10.741 0.951 ( 2.654 -2.131 -5.431) 6.410 0.999 ( 2.641 5.110 8.633) 10.374 1.086 ( 1.273 1.552 -0.203) 2.017 1.158 ( -0.610 -2.103 2.978) 3.696 1.218 ( -0.657 -2.335 -2.772) 3.683 1.320 ( -0.906 2.764 -0.058) 2.909 1.358 ( 0.280 2.117 -1.875) 2.842 1.488 ( 1.838 3.126 6.633) 7.560 1.623 ( -3.015 -1.047 -3.919) 5.054 2.020 ( -8.280 1.800 1.674) 8.637 2.071 ( 5.665 0.666 -3.657) 6.775 2.486 ( -0.651 -1.734 2.331) 2.978 2.546 ( 1.592 -3.992 -2.668) 5.058 2.724 ( -2.736 2.403 0.927) 3.757 2.731 ( 2.605 2.148 0.389) 3.399 3.059 ( 4.254 -6.808 6.108) 10.087 3.163 ( 1.185 -9.164 -3.182) 9.772 3.295 ( -2.410 -4.137 4.660) 6.681 3.395 ( 1.578 -4.608 -4.463) 6.607 3.496 ( 0.337 8.353 3.019) 8.888 3.581 ( -0.661 7.418 -5.469) 9.240 4.098 ( 1.642 -5.326 1.216) 5.704 4.125 ( -2.148 -3.695 -0.718) 4.334 4.199 ( 0.385 2.150 0.680) 2.287 4.238 ( -1.011 -0.440 -3.147) 3.335 4.446 ( 1.210 0.537 -0.096) 1.327 4.452 ( -0.141 0.510 -0.630) 0.823 7.192 ( -2.392 5.703 3.982) 7.356 7.266 ( 1.507 8.628 -3.297) 9.358 7.596 ( 3.789 1.627 3.294) 5.278 7.660 ( -2.935 1.838 -3.058) 4.620 8.328 ( -3.141 -0.245 2.901) 4.283 8.384 ( 2.931 -1.375 -2.545) 4.118 8.653 ( 4.505 -0.547 2.416) 5.141 8.707 ( -5.325 -0.615 -2.553) 5.938 8.770 ( 0.401 -3.078 2.815) 4.191 8.807 ( 0.600 -2.790 -0.849) 2.977 8.937 ( -0.092 -4.343 0.785) 4.414 8.966 ( 0.842 -4.150 -1.751) 4.582 13.542 ( 0.888 2.438 5.820) 6.373 13.664 ( -0.627 1.828 -6.227) 6.520 14.284 ( 1.372 -14.291 5.415) 15.343 14.394 ( -1.826 -14.698 -5.316) 15.736 15.000 ( 3.900 18.234 2.248) 18.782 15.059 ( -5.276 15.659 -3.714) 16.936 15.793 ( -4.075 -3.789 4.795) 7.345 15.875 ( 3.157 -4.869 -3.406) 6.729 19.005 ( 1.228 1.512 3.672) 4.156 19.097 ( -1.925 0.487 -5.227) 5.591 19.847 ( -1.429 -5.294 1.411) 5.662 19.890 ( 3.888 -4.853 -2.805) 6.822 20.413 ( -0.910 11.235 0.622) 11.289 20.432 ( 6.332 12.515 -1.029) 14.063 21.231 ( 10.234 -7.684 4.809) 13.671 21.315 ( -13.090 -9.193 -3.214) 16.315 23.626 ( -0.895 4.175 2.859) 5.139 23.698 ( 0.411 1.746 -4.085) 4.461 23.989 ( 2.979 -0.229 0.539) 3.036 24.004 ( -1.108 -0.521 -0.916) 1.529 ======================= Grid point 198 (107/129) ======================= q-point: ( 0.08 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -4.234 1.151 10.170) 11.076 0.996 ( 4.518 -1.982 -5.426) 7.334 1.028 ( -1.211 4.665 -0.865) 4.896 1.099 ( 0.186 1.918 -2.513) 3.167 1.169 ( 0.320 -2.592 2.626) 3.704 1.221 ( 2.086 -1.231 0.464) 2.466 1.323 ( 1.080 2.743 0.458) 2.984 1.397 ( 4.298 1.438 -0.775) 4.598 1.540 ( -1.494 1.446 -3.402) 3.987 1.589 ( 2.790 0.905 6.623) 7.244 1.890 ( -6.012 2.974 3.250) 7.453 2.157 ( 3.846 -0.131 -0.008) 3.848 2.463 ( -2.245 -0.700 1.719) 2.913 2.541 ( -0.852 -6.133 -3.536) 7.130 2.624 ( -5.681 1.676 -0.101) 5.924 2.829 ( 4.812 1.807 0.484) 5.163 3.087 ( -3.750 -2.963 -6.474) 8.048 3.115 ( -1.168 -10.452 -0.658) 10.537 3.261 ( -3.538 -3.238 5.401) 7.223 3.404 ( 0.707 -2.369 -4.125) 4.809 3.512 ( -0.305 8.862 1.998) 9.089 3.554 ( 0.295 5.035 -2.837) 5.787 4.044 ( -4.502 -3.883 1.096) 6.046 4.155 ( 2.029 -5.992 0.428) 6.341 4.196 ( -1.714 -0.574 -1.337) 2.248 4.218 ( 0.435 1.661 1.393) 2.212 4.432 ( -1.398 0.663 -1.204) 1.961 4.458 ( 0.219 1.140 -1.274) 1.723 7.119 ( -5.173 6.246 1.312) 8.216 7.263 ( -1.920 7.340 0.605) 7.611 7.625 ( 0.434 1.992 -2.566) 3.277 7.730 ( 8.212 -1.880 1.041) 8.489 8.251 ( -5.590 -0.478 2.400) 6.102 8.425 ( 1.958 -1.411 -1.372) 2.776 8.551 ( -6.874 3.192 -1.578) 7.741 8.755 ( 0.825 0.779 1.130) 1.601 8.804 ( 4.168 -4.353 1.874) 6.311 8.850 ( 3.831 -3.409 -1.205) 5.267 8.955 ( 1.494 -4.569 0.114) 4.808 8.992 ( 2.761 -3.341 -2.013) 4.779 13.572 ( -0.633 2.098 4.748) 5.229 13.618 ( -1.027 3.289 -5.394) 6.400 14.326 ( 0.192 -15.420 4.368) 16.028 14.338 ( -1.129 -12.820 -3.635) 13.373 14.960 ( -3.266 15.695 -2.271) 16.191 15.094 ( 3.983 16.920 3.557) 17.743 15.733 ( -4.411 -3.803 5.220) 7.821 15.914 ( 2.202 -4.732 -2.788) 5.917 19.000 ( -3.431 -0.596 -0.572) 3.529 19.056 ( -0.626 0.969 0.762) 1.383 19.750 ( -7.701 -2.210 -1.089) 8.085 19.768 ( -11.268 -4.572 -5.197) 13.224 20.373 ( 5.754 17.103 -1.203) 18.085 20.757 ( 15.520 2.436 -5.856) 16.766 21.041 ( -12.773 -3.994 -1.083) 13.427 21.417 ( 6.081 -10.258 6.581) 13.620 23.629 ( -0.146 2.792 3.641) 4.591 23.690 ( 0.393 1.836 -3.332) 3.825 23.964 ( -1.769 0.217 -1.940) 2.634 24.040 ( 1.841 -1.124 -1.575) 2.671 ======================= Grid point 199 (108/129) ======================= q-point: ( 0.17 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -6.272 4.380 9.333) 12.067 0.971 ( -2.160 2.223 -8.966) 9.486 1.062 ( 0.729 -1.003 -2.366) 2.671 1.089 ( 4.791 0.186 -5.942) 7.635 1.181 ( -0.240 -3.811 1.475) 4.093 1.283 ( 3.146 -0.344 1.534) 3.517 1.367 ( 2.826 0.754 1.628) 3.347 1.463 ( 0.852 2.322 1.089) 2.702 1.543 ( 5.312 7.550 -3.592) 9.906 1.670 ( 2.043 -2.050 4.509) 5.358 1.820 ( -2.897 2.559 2.844) 4.799 2.214 ( 1.071 0.357 4.224) 4.372 2.420 ( -2.558 -0.975 -1.129) 2.961 2.482 ( -5.148 -2.949 -3.123) 6.705 2.492 ( -6.081 -2.364 -2.715) 7.067 2.887 ( 0.338 -4.463 -2.077) 4.934 3.001 ( -0.388 3.534 -6.784) 7.660 3.075 ( -1.301 -5.275 -1.717) 5.699 3.211 ( -3.783 -3.559 4.680) 6.991 3.354 ( -3.672 2.277 -4.654) 6.351 3.525 ( 1.190 4.695 3.703) 6.097 3.561 ( 0.543 3.199 -0.788) 3.339 3.956 ( -5.816 -2.303 4.150) 7.506 4.155 ( -1.804 -2.026 -1.408) 3.057 4.182 ( 0.225 -4.899 0.874) 4.981 4.230 ( -0.318 -1.731 2.543) 3.092 4.390 ( -2.216 1.704 -1.178) 3.034 4.444 ( -0.676 1.919 -2.693) 3.375 7.014 ( -5.684 7.114 -2.522) 9.449 7.194 ( -6.193 6.318 3.576) 9.542 7.645 ( 2.347 0.741 -0.854) 2.605 7.889 ( 7.499 -9.070 -0.839) 11.798 8.158 ( -4.276 0.451 1.451) 4.538 8.390 ( -5.051 -1.635 1.873) 5.630 8.508 ( 2.899 7.870 -1.701) 8.558 8.736 ( -1.708 1.323 -0.710) 2.274 8.873 ( 1.071 -5.462 -0.023) 5.566 8.928 ( 4.410 -4.561 -2.535) 6.832 9.006 ( 3.483 -3.191 0.388) 4.740 9.053 ( 4.891 -0.508 -1.332) 5.095 13.543 ( -2.084 3.842 -2.907) 5.249 13.594 ( -1.290 3.662 2.210) 4.468 14.300 ( 0.026 -12.298 -5.182) 13.345 14.351 ( -0.818 -16.277 5.802) 17.300 14.909 ( -1.189 14.977 -1.777) 15.129 15.170 ( 1.759 15.582 4.075) 16.202 15.676 ( -3.958 -3.639 5.578) 7.747 15.931 ( 0.757 -4.532 -2.478) 5.220 18.908 ( -4.840 -2.875 -2.842) 6.306 19.018 ( -5.320 -1.495 1.798) 5.812 19.486 ( -7.791 2.129 -7.944) 11.329 19.700 ( -0.835 -1.501 1.199) 2.095 20.429 ( -4.520 14.148 3.025) 15.158 20.878 ( 3.785 0.732 -5.230) 6.498 20.971 ( 6.071 -1.451 -5.651) 8.420 21.521 ( 1.670 -9.444 6.807) 11.761 23.652 ( 0.783 1.628 2.817) 3.347 23.684 ( 0.311 2.195 -1.509) 2.682 23.922 ( -1.657 0.280 -2.162) 2.738 24.041 ( -0.710 -1.843 -2.770) 3.402 ======================= Grid point 200 (109/129) ======================= q-point: ( 0.25 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -7.476 7.065 5.574) 11.700 0.867 ( -2.967 3.125 -13.723) 14.383 1.045 ( -0.786 -2.238 -0.611) 2.450 1.150 ( 1.475 -2.023 -2.913) 3.842 1.221 ( 5.111 -3.411 -0.695) 6.184 1.339 ( 2.045 -2.105 0.821) 3.047 1.433 ( 2.741 -0.009 2.204) 3.518 1.488 ( 1.991 5.432 -0.479) 5.805 1.639 ( 3.774 7.655 0.374) 8.543 1.703 ( 0.692 -2.287 -0.849) 2.536 1.792 ( -1.017 1.507 1.039) 2.094 2.228 ( -3.371 2.874 6.611) 7.958 2.291 ( -8.641 0.573 -4.730) 9.867 2.354 ( -2.387 -1.914 -5.430) 6.232 2.413 ( -3.193 -5.917 -2.408) 7.142 2.863 ( -1.234 -9.305 -1.919) 9.581 2.936 ( -2.702 1.667 -5.768) 6.584 3.099 ( 0.829 3.173 1.324) 3.537 3.163 ( -1.466 -0.089 -0.252) 1.490 3.275 ( -1.724 2.734 -0.923) 3.361 3.564 ( 0.280 1.980 -0.204) 2.010 3.583 ( 2.469 1.409 5.034) 5.782 3.863 ( -6.190 0.247 6.939) 9.302 4.106 ( -2.692 -1.979 -2.392) 4.109 4.169 ( -2.210 -5.315 2.308) 6.202 4.224 ( -1.718 -3.660 2.801) 4.918 4.346 ( -1.729 2.310 -0.983) 3.049 4.411 ( -1.026 1.875 -3.741) 4.308 6.880 ( -5.997 8.590 -5.375) 11.774 7.062 ( -9.362 6.419 4.718) 12.293 7.703 ( 3.179 -1.905 2.353) 4.389 7.982 ( 2.172 -14.433 -0.688) 14.612 8.130 ( 1.836 2.753 -1.613) 3.682 8.327 ( -2.419 -1.163 2.848) 3.913 8.554 ( 1.206 6.267 -0.412) 6.396 8.708 ( 0.003 3.372 -1.005) 3.518 8.860 ( -1.502 -6.101 -2.014) 6.598 8.991 ( 3.487 -4.159 -2.621) 6.027 9.055 ( 2.154 0.229 -2.073) 2.998 9.165 ( 5.883 -0.787 0.157) 5.937 13.491 ( -1.650 5.372 -3.308) 6.521 13.570 ( -2.397 4.368 2.583) 5.612 14.289 ( 1.187 -12.962 -5.261) 14.039 14.351 ( -1.757 -16.825 5.587) 17.815 14.894 ( 0.257 14.804 -1.272) 14.861 15.190 ( -1.317 15.411 2.811) 15.720 15.636 ( -2.675 -3.833 5.657) 7.339 15.920 ( -0.703 -4.495 -2.493) 5.188 18.790 ( -5.562 -3.401 -4.326) 7.824 18.887 ( -6.280 -1.952 -1.648) 6.779 19.422 ( 1.614 3.880 -1.528) 4.471 19.727 ( 2.115 -4.361 2.658) 5.527 20.274 ( -10.040 13.558 4.779) 17.535 20.984 ( 2.699 -5.144 -3.847) 6.968 21.051 ( 9.584 3.914 -8.271) 13.251 21.548 ( -1.640 -5.847 6.091) 8.601 23.667 ( 0.530 1.994 -1.716) 2.684 23.702 ( 1.037 1.412 3.295) 3.732 23.881 ( -1.661 -0.159 -1.647) 2.345 23.995 ( -2.385 -2.077 -3.122) 4.444 ======================= Grid point 201 (110/129) ======================= q-point: ( 0.33 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -3.922 8.120 0.117) 9.019 0.753 ( -2.197 5.517 -12.941) 14.239 1.027 ( -1.080 -3.065 0.383) 3.272 1.163 ( 0.687 -3.803 0.757) 3.938 1.305 ( 3.438 -1.943 -2.697) 4.782 1.369 ( 0.765 -4.120 0.193) 4.195 1.476 ( 0.655 -0.474 0.672) 1.051 1.520 ( 1.570 3.828 -2.347) 4.757 1.656 ( -2.427 3.951 2.449) 5.244 1.693 ( -0.134 1.401 -4.367) 4.589 1.809 ( 2.509 0.270 -0.879) 2.672 2.087 ( -7.193 2.829 -2.151) 8.023 2.193 ( -3.365 -0.460 -2.863) 4.442 2.272 ( -4.380 2.252 -5.257) 7.204 2.390 ( 1.190 -5.272 4.431) 6.989 2.796 ( -4.186 -5.973 -1.183) 7.390 2.887 ( -1.808 1.418 -3.089) 3.850 3.050 ( -3.126 -0.401 0.025) 3.151 3.192 ( 2.143 4.729 1.789) 5.492 3.290 ( 3.251 0.707 -2.624) 4.237 3.575 ( 0.730 0.629 0.497) 1.084 3.663 ( 3.128 -0.157 6.156) 6.907 3.792 ( -4.442 1.891 8.406) 9.694 4.026 ( -4.080 -1.931 -4.110) 6.105 4.124 ( -3.553 -3.858 2.838) 5.964 4.188 ( -3.115 -2.156 2.533) 4.557 4.315 ( -1.120 0.774 -0.627) 1.498 4.377 ( -0.597 0.689 -3.789) 3.897 6.754 ( -4.008 10.012 -5.959) 12.321 6.891 ( -10.006 7.571 4.243) 13.245 7.780 ( 2.861 -5.539 5.601) 8.381 7.997 ( 0.412 -13.938 -0.018) 13.945 8.190 ( 4.682 2.582 -3.006) 6.134 8.305 ( -1.715 -1.364 2.089) 3.028 8.540 ( -1.647 3.539 -0.395) 3.923 8.737 ( 2.256 4.663 -1.522) 5.399 8.811 ( -1.723 -6.484 -2.282) 7.086 9.033 ( 1.567 -0.733 -3.073) 3.527 9.082 ( 2.153 0.879 -1.193) 2.614 9.257 ( 3.573 -1.993 -0.736) 4.157 13.454 ( -0.789 6.206 -2.217) 6.637 13.529 ( -2.700 5.300 1.415) 6.114 14.295 ( 1.501 -14.051 -3.774) 14.626 14.337 ( -1.852 -17.072 3.993) 17.630 14.906 ( 1.330 15.119 -0.545) 15.187 15.151 ( -3.316 16.223 0.879) 16.582 15.627 ( -0.823 -4.343 5.454) 7.021 15.884 ( -1.702 -4.650 -2.754) 5.666 18.684 ( -2.512 -1.501 -5.305) 6.059 18.786 ( -4.085 -2.653 -0.969) 4.966 19.476 ( 3.174 2.701 1.771) 4.528 19.761 ( -1.294 -6.638 3.398) 7.569 20.173 ( -1.362 14.077 5.644) 15.227 20.938 ( -3.528 -8.119 -6.011) 10.700 21.230 ( 10.692 4.174 -6.737) 13.309 21.520 ( -3.895 -1.847 5.539) 7.019 23.672 ( 0.874 2.232 -1.543) 2.851 23.737 ( 0.895 0.835 2.872) 3.122 23.842 ( -1.824 -0.579 -0.931) 2.128 23.932 ( -2.521 -2.012 -2.885) 4.328 ======================= Grid point 202 (111/129) ======================= q-point: ( 0.42 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 4.497 7.684 -3.360) 9.515 0.672 ( -1.242 6.653 -8.987) 11.250 1.011 ( -0.648 -1.006 1.339) 1.795 1.177 ( -0.108 -3.101 1.227) 3.337 1.319 ( -0.295 -2.250 -3.170) 3.899 1.355 ( -2.233 -2.888 -3.376) 4.972 1.460 ( -0.838 -6.531 -0.974) 6.657 1.536 ( 1.386 0.104 -2.324) 2.708 1.612 ( -3.193 3.761 2.608) 5.581 1.660 ( -0.703 2.212 -3.612) 4.294 1.861 ( 3.420 -0.024 -1.406) 3.698 1.987 ( -2.573 4.676 -2.226) 5.783 2.130 ( -2.852 -1.325 -0.883) 3.267 2.162 ( -3.004 0.297 -5.726) 6.473 2.464 ( 3.069 -0.620 6.271) 7.009 2.740 ( -0.995 -2.327 2.382) 3.475 2.802 ( -4.349 3.000 -4.576) 6.990 3.007 ( -2.031 -2.123 -1.623) 3.356 3.243 ( 2.180 1.643 2.054) 3.417 3.339 ( 2.526 0.290 -3.859) 4.621 3.597 ( 0.931 0.989 3.819) 4.053 3.751 ( 2.661 -0.940 6.327) 6.928 3.790 ( 0.984 1.224 7.494) 7.657 3.917 ( -4.918 -1.096 -5.216) 7.252 4.060 ( -3.834 -1.389 1.258) 4.267 4.130 ( -3.438 -0.027 0.239) 3.447 4.299 ( -0.678 -0.702 1.224) 1.565 4.358 ( 0.308 -0.896 -3.544) 3.669 6.687 ( -0.097 10.625 -5.279) 11.864 6.733 ( -7.825 8.882 3.345) 12.300 7.857 ( 2.004 -9.422 7.253) 12.057 8.009 ( 0.899 -13.400 -0.747) 13.451 8.265 ( 2.050 2.400 0.126) 3.158 8.273 ( -0.571 1.081 0.430) 1.296 8.516 ( -0.229 1.857 -0.559) 1.953 8.692 ( -3.696 -2.603 -6.452) 7.878 8.839 ( 3.122 1.047 1.782) 3.744 9.016 ( -1.158 4.393 -3.999) 6.052 9.137 ( 3.089 -2.641 1.407) 4.301 9.290 ( 0.479 -2.825 -1.971) 3.478 13.440 ( -0.408 6.234 0.036) 6.247 13.485 ( -1.624 6.394 -0.820) 6.648 14.296 ( -2.107 -16.026 4.172) 16.694 14.334 ( 2.048 -16.110 -4.034) 16.733 14.939 ( 2.075 15.631 0.516) 15.776 15.083 ( -3.478 16.852 -0.799) 17.226 15.652 ( 0.776 -4.615 5.089) 6.913 15.834 ( -1.986 -4.890 -3.187) 6.165 18.653 ( 1.500 -1.058 -4.827) 5.164 18.711 ( -3.538 -2.088 -0.401) 4.128 19.546 ( 3.057 1.581 2.652) 4.345 19.706 ( -4.698 -2.550 2.561) 5.927 20.268 ( 6.644 7.537 7.490) 12.532 20.811 ( -6.361 -6.784 -7.421) 11.898 21.384 ( 8.107 1.861 -6.189) 10.368 21.454 ( -5.197 1.192 5.333) 7.542 23.690 ( 1.575 1.826 -0.781) 2.535 23.753 ( -0.580 1.026 1.056) 1.583 23.809 ( -0.958 -0.985 0.366) 1.422 23.880 ( -1.556 -1.750 -2.459) 3.396 ======================= Grid point 203 (112/129) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 2.699 7.014 -4.498) 8.759 0.614 ( 0.685 8.191 -7.107) 10.866 1.043 ( 3.455 0.509 4.007) 5.316 1.137 ( -3.880 -0.492 -3.534) 5.271 1.274 ( -1.314 -3.754 -1.304) 4.186 1.303 ( -1.004 -3.983 -3.556) 5.433 1.459 ( -0.560 -9.593 2.720) 9.987 1.541 ( 0.285 -2.865 -3.163) 4.277 1.574 ( -1.284 3.153 2.674) 4.329 1.652 ( 1.552 4.916 -3.304) 6.123 1.922 ( 2.834 1.337 -1.124) 3.329 1.936 ( -1.981 2.964 -2.820) 4.545 2.041 ( -5.079 -0.529 4.532) 6.828 2.157 ( 3.610 -2.004 -6.718) 7.886 2.555 ( 4.104 1.855 5.699) 7.264 2.677 ( -3.906 2.905 -6.237) 7.912 2.823 ( 5.330 -1.291 5.284) 7.615 2.937 ( -3.425 -1.112 -5.190) 6.317 3.269 ( -1.921 0.302 3.632) 4.120 3.342 ( 0.460 -1.198 -3.698) 3.914 3.665 ( 3.383 2.108 6.814) 7.894 3.794 ( -4.276 -0.615 -5.499) 6.993 3.828 ( 2.703 -1.278 4.509) 5.410 3.862 ( 1.982 -1.270 2.508) 3.440 4.013 ( -0.794 1.097 2.632) 2.960 4.068 ( -2.136 1.287 -1.939) 3.159 4.297 ( -0.386 -1.044 1.755) 2.078 4.356 ( 1.076 -1.780 -3.460) 4.037 6.630 ( -4.188 9.984 2.905) 11.210 6.707 ( 4.423 10.330 -4.682) 12.174 7.919 ( 0.904 -12.814 6.817) 14.542 8.014 ( 0.425 -12.098 -3.000) 12.472 8.230 ( -3.376 2.921 5.078) 6.762 8.321 ( 1.945 0.849 -1.045) 2.366 8.529 ( 1.116 0.361 -0.791) 1.415 8.592 ( -2.188 -0.357 -5.686) 6.103 8.900 ( 1.660 2.577 2.469) 3.936 8.966 ( -1.790 4.298 -3.943) 6.101 9.201 ( 2.157 -3.294 2.818) 4.842 9.259 ( -2.392 -3.191 -2.818) 4.883 13.422 ( -2.048 5.502 2.550) 6.401 13.480 ( 2.015 7.516 -3.117) 8.383 14.264 ( -3.037 -16.644 4.980) 17.636 14.367 ( 3.257 -16.147 -5.102) 17.244 14.977 ( -0.291 16.972 2.536) 17.163 15.031 ( 0.369 16.154 -2.898) 16.416 15.699 ( 1.746 -4.560 4.754) 6.815 15.784 ( -1.540 -5.089 -3.724) 6.491 18.646 ( -2.900 -0.763 -0.280) 3.012 18.686 ( 3.636 -1.759 -4.252) 5.864 19.622 ( 3.730 0.273 2.472) 4.483 19.633 ( -3.636 0.082 1.434) 3.910 20.451 ( 7.868 1.946 8.953) 12.077 20.633 ( -8.186 -2.779 -8.711) 12.272 21.360 ( -6.850 3.054 6.571) 9.971 21.500 ( 6.487 -0.571 -6.620) 9.286 23.720 ( -1.319 1.026 0.151) 1.678 23.724 ( 1.001 1.281 -0.271) 1.648 23.815 ( 0.732 -0.875 1.171) 1.635 23.851 ( -0.317 -1.354 -2.390) 2.765 ======================= Grid point 204 (113/129) ======================= q-point: (-0.42 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 0.624 11.086 -7.350) 13.316 0.623 ( -0.622 5.304 -5.033) 7.338 1.058 ( -1.507 -0.739 -2.909) 3.359 1.165 ( 4.935 -0.794 3.903) 6.342 1.270 ( -0.068 -3.018 1.623) 3.428 1.274 ( -0.157 -5.124 0.418) 5.143 1.444 ( -2.102 -6.668 2.584) 7.454 1.528 ( 0.179 -5.121 -2.883) 5.880 1.583 ( 0.053 4.864 3.468) 5.974 1.686 ( 3.202 4.776 -3.369) 6.664 1.863 ( -3.435 0.411 -1.758) 3.881 1.962 ( 0.933 2.963 0.908) 3.236 2.020 ( 1.244 1.491 3.071) 3.633 2.214 ( 4.614 -4.066 -4.282) 7.493 2.580 ( -2.965 1.417 -5.297) 6.234 2.694 ( 6.957 2.300 4.516) 8.607 2.852 ( -1.920 0.113 -6.376) 6.660 2.961 ( 5.811 -2.432 2.897) 6.934 3.215 ( -4.111 0.794 4.677) 6.277 3.320 ( -2.219 1.781 -2.315) 3.668 3.672 ( -3.745 -1.706 -2.850) 5.005 3.792 ( 3.594 0.735 4.652) 5.924 3.861 ( 0.031 -1.654 -2.098) 2.672 3.890 ( 1.971 -1.074 -2.167) 3.120 4.062 ( 2.723 0.611 1.368) 3.108 4.072 ( 3.404 1.061 5.100) 6.222 4.300 ( 0.252 -0.666 0.402) 0.818 4.363 ( 1.147 -1.584 -3.294) 3.830 6.602 ( -0.127 10.793 3.056) 11.218 6.812 ( 8.452 9.330 -4.431) 13.346 7.944 ( -0.718 -12.607 3.865) 13.206 7.993 ( -1.760 -12.346 -3.568) 12.971 8.180 ( -3.992 2.529 5.210) 7.034 8.337 ( 0.864 -0.112 -2.346) 2.503 8.504 ( -1.164 1.757 0.469) 2.159 8.623 ( 4.275 0.014 -0.696) 4.332 8.881 ( -3.210 4.284 -1.479) 5.554 8.957 ( 1.043 2.058 0.941) 2.491 9.174 ( -4.424 -2.995 -2.039) 5.719 9.243 ( 0.216 -2.907 2.453) 3.809 13.398 ( -1.438 5.466 2.541) 6.197 13.521 ( 3.485 7.106 -2.795) 8.394 14.229 ( -2.841 -16.527 4.614) 17.392 14.407 ( 3.270 -16.601 -5.126) 17.680 14.942 ( -2.434 17.684 0.334) 17.854 15.082 ( 4.190 15.533 -0.606) 16.100 15.745 ( -0.441 -5.187 -4.088) 6.619 15.758 ( 1.961 -4.227 4.352) 6.376 18.605 ( -0.988 0.384 -0.102) 1.065 18.742 ( 3.842 -2.704 -3.547) 5.887 19.575 ( -2.965 1.174 0.161) 3.193 19.717 ( 5.106 -2.405 1.611) 5.870 20.432 ( -7.947 3.575 -8.870) 12.434 20.633 ( 6.476 -1.580 9.590) 11.680 21.244 ( -8.342 4.578 6.793) 11.692 21.582 ( 5.121 -3.345 -6.262) 8.753 23.676 ( -2.282 1.795 0.557) 2.956 23.763 ( 1.953 0.792 0.039) 2.107 23.831 ( 0.428 -1.556 -0.880) 1.838 23.852 ( 1.549 -0.630 -0.698) 1.812 ======================= Grid point 205 (114/129) ======================= q-point: (-0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -0.321 5.652 -2.152) 6.056 0.612 ( 5.314 10.687 -3.494) 12.436 1.037 ( -0.533 -2.625 -0.384) 2.706 1.170 ( -3.541 -4.662 -0.234) 5.859 1.272 ( -0.400 -3.335 0.710) 3.433 1.339 ( 1.846 -4.037 3.996) 5.973 1.424 ( -0.520 -2.005 3.889) 4.406 1.520 ( -0.340 -1.777 -1.935) 2.649 1.596 ( -0.269 3.425 4.404) 5.586 1.721 ( 1.372 6.638 -3.125) 7.464 1.809 ( -0.970 0.421 -1.284) 1.663 2.021 ( 4.874 0.493 4.603) 6.722 2.089 ( 4.668 1.333 1.778) 5.170 2.286 ( 4.337 -3.809 -2.256) 6.197 2.498 ( -3.034 -1.029 -5.239) 6.141 2.813 ( 1.930 -2.395 -2.409) 3.907 2.843 ( 3.573 2.517 0.942) 4.470 3.040 ( 2.195 0.413 1.070) 2.477 3.204 ( -0.026 0.331 5.078) 5.089 3.239 ( -3.608 5.095 -2.745) 6.820 3.600 ( -2.314 -1.515 -2.115) 3.481 3.781 ( -2.589 -3.057 -4.153) 5.770 3.921 ( 3.309 -0.958 -3.322) 4.786 3.934 ( 4.643 0.144 3.354) 5.729 4.140 ( 3.830 -1.516 1.747) 4.474 4.172 ( 4.209 -0.288 4.543) 6.200 4.313 ( 1.438 0.401 -1.228) 1.933 4.367 ( 0.675 -0.625 -2.815) 2.962 6.654 ( 3.958 10.930 3.753) 12.215 6.979 ( 10.631 7.979 -4.511) 14.037 7.888 ( -5.913 -7.227 -4.563) 10.393 7.947 ( -1.902 -13.252 5.410) 14.440 8.136 ( -1.984 0.903 1.390) 2.586 8.352 ( 1.923 -1.843 -2.194) 3.451 8.512 ( 0.768 3.441 2.689) 4.434 8.695 ( 2.148 0.685 0.959) 2.450 8.814 ( -2.148 0.975 -1.508) 2.800 8.972 ( -0.594 0.943 2.299) 2.555 9.078 ( -4.546 -1.328 -0.638) 4.779 9.232 ( -2.403 -2.180 1.695) 3.661 13.393 ( -0.408 5.213 3.050) 6.053 13.582 ( 4.065 6.068 -3.096) 7.933 14.200 ( -2.222 -16.039 4.490) 16.803 14.443 ( 2.836 -16.965 -5.312) 18.002 14.904 ( -1.458 17.657 -0.270) 17.719 15.166 ( 4.534 14.916 -0.282) 15.592 15.729 ( 0.962 -5.025 -4.680) 6.934 15.813 ( 1.536 -3.807 4.423) 6.034 18.618 ( 2.446 0.665 0.884) 2.685 18.799 ( 3.646 -2.861 -2.349) 5.196 19.512 ( -3.498 1.995 -1.149) 4.188 19.807 ( 2.829 -7.556 -0.828) 8.111 20.288 ( -1.900 12.069 -6.243) 13.720 20.777 ( 3.800 -2.998 9.414) 10.585 21.097 ( -10.077 5.650 6.059) 13.046 21.641 ( 3.845 -6.463 -5.880) 9.547 23.643 ( -1.598 2.871 1.314) 3.538 23.791 ( 0.965 1.241 -1.635) 2.268 23.836 ( 0.836 -1.796 -0.978) 2.209 23.893 ( 2.432 -1.146 0.720) 2.783 ======================= Grid point 206 (115/129) ======================= q-point: (-0.25 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 1.604 6.577 11.980) 13.761 0.745 ( 9.031 7.656 -6.033) 13.288 1.026 ( -1.015 -2.711 1.626) 3.320 1.076 ( -6.322 -3.375 2.429) 7.566 1.247 ( -1.689 -5.835 -1.804) 6.337 1.331 ( -2.504 -4.357 1.215) 5.171 1.443 ( -0.642 1.508 3.319) 3.702 1.483 ( -2.696 3.275 -1.133) 4.391 1.605 ( -1.724 2.581 3.095) 4.383 1.717 ( 0.183 4.327 -1.985) 4.764 1.821 ( 2.921 0.775 -2.189) 3.732 2.178 ( 7.463 -1.511 7.420) 10.632 2.220 ( 7.729 -0.730 3.067) 8.347 2.359 ( 4.030 -0.672 -0.944) 4.193 2.424 ( -1.900 -3.734 -5.738) 7.105 2.845 ( 2.110 -2.408 1.153) 3.403 2.859 ( -1.476 -0.687 0.219) 1.642 3.091 ( -1.920 6.573 2.137) 7.174 3.150 ( 1.304 1.969 0.414) 2.398 3.271 ( 3.033 -0.883 -0.101) 3.160 3.562 ( -1.217 1.228 -0.854) 1.928 3.710 ( -2.100 -3.653 -5.945) 7.287 3.970 ( 3.082 -1.898 -2.596) 4.454 4.034 ( 3.723 -0.828 3.749) 5.348 4.204 ( 2.436 -2.715 -0.493) 3.680 4.261 ( 3.200 -1.918 0.836) 3.823 4.344 ( 2.269 1.505 -1.638) 3.178 4.368 ( 0.692 1.149 -0.717) 1.521 6.782 ( 7.269 10.337 4.100) 13.286 7.155 ( 9.081 6.852 -4.470) 12.223 7.742 ( -7.278 -4.781 -1.125) 8.781 7.925 ( -2.846 -9.783 4.211) 11.024 8.131 ( 1.702 -0.867 -1.209) 2.261 8.383 ( 2.309 -3.369 -2.391) 4.733 8.534 ( -0.537 6.390 1.822) 6.666 8.691 ( -1.102 3.133 0.286) 3.333 8.820 ( 1.768 -4.816 1.818) 5.443 8.940 ( -3.727 -3.555 2.060) 5.547 9.011 ( -2.474 1.939 1.681) 3.564 9.167 ( -4.673 -1.285 0.175) 4.850 13.410 ( 0.510 4.744 3.878) 6.148 13.643 ( 3.776 4.483 -3.909) 7.046 14.186 ( -1.243 -15.107 4.640) 15.852 14.466 ( 2.066 -17.148 -5.591) 18.154 14.885 ( -0.309 17.681 -0.286) 17.686 15.242 ( 3.380 13.533 -1.750) 14.058 15.741 ( 2.477 -4.668 -4.765) 7.115 15.852 ( 0.364 -3.421 4.359) 5.553 18.713 ( 6.431 -0.864 2.796) 7.065 18.873 ( 5.358 -1.263 -0.445) 5.523 19.432 ( -3.864 3.352 -1.722) 5.397 19.792 ( -2.290 -6.711 -3.879) 8.083 20.336 ( 7.466 14.292 -1.438) 16.189 20.851 ( -1.778 0.017 9.598) 9.761 20.921 ( -9.038 3.150 3.548) 10.208 21.672 ( 1.916 -9.914 -5.801) 11.645 23.627 ( -0.771 4.049 1.899) 4.538 23.782 ( -0.313 1.431 -4.148) 4.399 23.856 ( 1.123 -1.174 0.734) 1.783 23.947 ( 2.617 -1.819 1.400) 3.481 ======================= Grid point 207 (116/129) ======================= q-point: (-0.17 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 4.904 4.272 15.912) 17.190 0.860 ( 3.374 6.130 -2.223) 7.342 0.964 ( -4.433 -2.109 1.779) 5.222 1.022 ( -0.476 -2.841 2.193) 3.621 1.207 ( -1.576 -6.502 -0.578) 6.716 1.279 ( -3.050 -0.849 0.802) 3.266 1.418 ( -3.588 5.004 0.171) 6.160 1.425 ( -2.230 -0.750 2.045) 3.117 1.547 ( -3.607 6.715 -2.609) 8.057 1.714 ( -0.393 -1.029 -0.425) 1.181 1.888 ( 5.037 0.853 -3.772) 6.350 2.304 ( -3.096 -2.492 -2.483) 4.686 2.345 ( 6.325 -2.516 5.392) 8.684 2.436 ( 3.928 -0.839 2.138) 4.550 2.449 ( 8.407 -0.560 -0.337) 8.432 2.839 ( -0.371 -0.926 2.102) 2.327 2.887 ( -0.130 0.800 3.972) 4.054 3.032 ( -1.161 -0.560 2.053) 2.424 3.232 ( 3.880 -1.193 1.409) 4.297 3.330 ( 3.621 0.321 -0.572) 3.680 3.528 ( -2.483 1.895 0.096) 3.125 3.656 ( -0.467 -0.672 -6.564) 6.614 4.011 ( 1.989 -2.862 -0.400) 3.508 4.107 ( 2.238 -1.126 2.856) 3.799 4.232 ( 1.443 -2.915 -3.753) 4.966 4.283 ( -0.298 -1.805 -2.220) 2.877 4.378 ( 1.983 1.702 -0.175) 2.619 4.404 ( 2.276 1.603 0.870) 2.916 6.955 ( 8.588 9.563 2.961) 13.190 7.265 ( 3.868 6.602 -3.090) 8.252 7.618 ( -5.303 -1.766 1.523) 5.793 7.869 ( -4.505 -7.771 1.103) 9.050 8.192 ( 5.118 -1.269 -1.681) 5.534 8.426 ( 2.843 -3.883 -1.392) 5.010 8.489 ( -3.162 9.550 -0.052) 10.060 8.706 ( 1.597 0.547 2.085) 2.683 8.849 ( -1.676 -5.759 3.357) 6.873 8.877 ( -2.087 -4.251 1.190) 4.883 8.982 ( -1.641 -0.577 2.103) 2.729 9.062 ( -5.583 -0.601 -1.421) 5.792 13.446 ( 1.127 4.051 4.801) 6.382 13.685 ( 2.472 2.681 -4.907) 6.114 14.196 ( 0.085 -13.981 4.899) 14.814 14.469 ( 0.890 -17.106 -5.850) 18.101 14.891 ( 1.040 17.921 0.083) 17.951 15.261 ( -0.384 12.651 -4.453) 13.417 15.778 ( 3.398 -4.516 -4.509) 7.230 15.863 ( -1.259 -3.282 4.307) 5.559 18.852 ( 5.510 -2.479 2.440) 6.516 19.040 ( 11.355 -1.810 0.924) 11.535 19.380 ( 0.736 6.310 1.651) 6.564 19.745 ( 0.261 -2.442 -3.564) 4.328 20.453 ( 0.532 16.327 0.842) 16.357 20.744 ( -6.115 2.221 7.548) 9.964 20.886 ( 0.063 -2.303 2.679) 3.533 21.651 ( -1.755 -12.703 -5.920) 14.124 23.628 ( -0.219 5.015 1.922) 5.375 23.749 ( -0.850 1.696 -4.669) 5.040 23.884 ( 1.323 -0.442 1.533) 2.073 23.997 ( 1.699 -2.035 1.447) 3.020 ======================= Grid point 208 (117/129) ======================= q-point: (-0.08 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -4.484 1.980 9.632) 10.807 0.872 ( 4.343 2.520 11.320) 12.384 0.946 ( 1.485 -1.582 -5.514) 5.926 1.046 ( 1.690 -0.613 2.451) 3.040 1.178 ( -2.146 -2.937 2.336) 4.323 1.239 ( -0.833 -0.820 -1.161) 1.647 1.357 ( -2.651 3.727 -0.018) 4.574 1.385 ( -2.978 0.280 3.689) 4.749 1.476 ( -1.404 6.573 -3.586) 7.618 1.687 ( -2.031 -2.462 -1.806) 3.667 1.975 ( 6.030 0.978 -4.971) 7.876 2.180 ( -7.583 -0.954 -1.879) 7.871 2.453 ( 3.086 -2.494 2.248) 4.560 2.510 ( 2.898 -0.587 0.180) 2.962 2.615 ( 7.021 -0.404 1.111) 7.120 2.818 ( -4.407 2.755 1.524) 5.416 2.926 ( 4.449 -0.385 7.350) 8.600 3.093 ( 4.576 -9.009 2.497) 10.409 3.291 ( 1.303 -4.514 2.466) 5.306 3.389 ( 2.178 -3.168 -3.130) 4.957 3.484 ( -1.535 5.475 2.580) 6.244 3.621 ( -0.458 4.689 -6.470) 8.003 4.049 ( 2.076 -3.635 0.795) 4.261 4.145 ( 0.465 -1.732 2.138) 2.790 4.216 ( -1.188 -1.878 -3.628) 4.254 4.263 ( -0.186 -0.151 -3.035) 3.044 4.416 ( 1.789 0.795 0.349) 1.988 4.442 ( 1.267 0.936 0.186) 1.586 7.120 ( 7.096 8.722 1.177) 11.306 7.281 ( -0.734 6.585 -1.105) 6.717 7.562 ( -1.519 0.944 3.174) 3.643 7.763 ( -5.797 -2.508 -2.016) 6.630 8.292 ( 5.216 -1.344 -1.220) 5.523 8.397 ( -3.203 1.200 0.849) 3.524 8.537 ( 5.852 1.779 0.062) 6.117 8.745 ( 1.140 -0.608 1.995) 2.377 8.795 ( -3.807 -4.141 3.393) 6.569 8.848 ( -2.801 -4.674 -1.580) 5.674 8.963 ( -2.657 -2.516 0.569) 3.703 8.969 ( -1.087 -2.814 -0.820) 3.126 13.494 ( 1.317 3.201 5.541) 6.533 13.691 ( 0.699 1.547 -5.722) 5.968 14.233 ( 1.250 -13.539 5.130) 14.532 14.445 ( -0.697 -16.471 -5.825) 17.485 14.928 ( 2.643 18.292 0.879) 18.503 15.184 ( -4.801 14.041 -5.270) 15.747 15.825 ( 2.884 -4.784 -3.005) 6.343 15.843 ( -2.286 -3.469 3.394) 5.365 18.946 ( 3.389 0.147 2.519) 4.225 19.145 ( 0.362 -1.555 -5.482) 5.710 19.619 ( 18.979 -0.839 7.498) 20.423 19.787 ( 5.529 -1.135 -2.843) 6.320 20.346 ( -7.003 18.600 1.372) 19.922 20.645 ( -10.575 2.981 5.577) 12.322 21.004 ( 10.631 -4.061 2.153) 11.583 21.537 ( -7.600 -12.804 -5.335) 15.816 23.631 ( -0.516 5.203 1.898) 5.562 23.715 ( -0.332 1.770 -4.360) 4.717 23.926 ( 2.436 0.095 1.801) 3.031 24.019 ( -0.025 -1.559 0.584) 1.665 ======================= Grid point 209 (118/129) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -2.412 5.414 6.590) 8.863 0.934 ( 0.459 -1.339 -0.481) 1.495 1.071 ( 4.378 1.905 8.067) 9.374 1.084 ( 2.345 -0.355 4.515) 5.100 1.119 ( 0.560 -0.792 0.112) 0.977 1.165 ( 0.142 -3.195 -2.730) 4.205 1.285 ( -0.700 -0.551 -1.240) 1.527 1.340 ( -3.582 -4.920 -4.749) 7.719 1.683 ( 1.259 15.120 5.259) 16.058 1.756 ( -1.637 11.275 -2.183) 11.600 1.970 ( -4.720 -7.344 0.320) 8.736 1.975 ( 3.544 -10.902 0.027) 11.464 2.493 ( 0.238 2.501 -0.723) 2.615 2.518 ( -0.739 0.590 -2.974) 3.121 2.722 ( 3.199 -1.926 2.159) 4.313 2.741 ( -2.566 -2.657 0.162) 3.697 2.990 ( 1.408 0.954 2.603) 3.109 3.033 ( 0.893 -2.782 -1.623) 3.343 3.224 ( -0.480 -1.777 3.991) 4.395 3.277 ( 1.786 -6.092 -1.213) 6.463 3.656 ( 0.952 6.852 2.036) 7.211 3.702 ( 0.118 3.282 -2.339) 4.031 3.994 ( 0.148 -3.179 -0.731) 3.265 4.027 ( -1.665 -5.183 -3.620) 6.538 4.241 ( 0.344 1.642 1.059) 1.984 4.250 ( -1.021 0.628 0.143) 1.207 4.453 ( 0.799 0.236 -0.173) 0.851 4.456 ( 0.121 -0.023 -0.462) 0.478 7.342 ( -3.342 8.295 5.350) 10.421 7.419 ( -0.385 3.666 -1.508) 3.983 7.607 ( 3.129 0.780 1.341) 3.492 7.665 ( 0.734 -2.350 -3.662) 4.412 8.319 ( -1.946 -0.091 1.869) 2.700 8.342 ( 0.619 -2.288 -0.397) 2.403 8.653 ( 1.608 0.358 0.830) 1.844 8.675 ( 1.251 -2.010 -0.902) 2.533 8.756 ( -0.743 1.816 1.574) 2.516 8.788 ( 0.136 1.949 -0.638) 2.055 8.836 ( -0.808 -4.958 1.003) 5.123 8.874 ( 0.085 -4.976 -2.014) 5.368 13.611 ( 0.521 4.352 3.653) 5.706 13.679 ( 0.235 -1.384 -2.851) 3.178 14.103 ( 0.347 -3.030 2.190) 3.755 14.165 ( -0.256 -8.245 -3.717) 9.048 15.298 ( 2.191 10.397 0.500) 10.637 15.309 ( -3.625 8.722 -0.573) 9.463 15.706 ( -2.897 -3.545 2.498) 5.215 15.748 ( 2.083 -6.951 -1.736) 7.461 19.054 ( 0.862 3.019 1.655) 3.549 19.097 ( -0.846 -0.954 -2.439) 2.753 19.770 ( 1.277 -1.712 -0.031) 2.136 19.795 ( 0.230 -3.938 -2.459) 4.649 20.655 ( 0.280 11.791 1.612) 11.904 20.689 ( 3.476 10.766 -1.691) 11.439 21.051 ( 4.573 -8.379 3.044) 10.020 21.100 ( -6.726 -11.180 -1.609) 13.146 23.702 ( -1.125 2.898 -0.032) 3.109 23.725 ( -0.307 0.475 -2.190) 2.262 23.985 ( 1.759 0.004 0.092) 1.762 23.992 ( 0.437 -0.596 -0.514) 0.901 ======================= Grid point 210 (119/129) ======================= q-point: ( 0.08 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -1.584 6.565 6.568) 9.420 0.958 ( 1.904 -3.379 0.513) 3.913 1.098 ( -1.859 2.910 -3.950) 5.247 1.115 ( -0.213 -0.225 -1.249) 1.287 1.127 ( 0.545 -0.251 -2.797) 2.860 1.189 ( 2.354 -3.542 -1.802) 4.619 1.297 ( 1.875 -0.459 0.652) 2.038 1.354 ( 5.763 -4.451 5.125) 8.904 1.713 ( -0.755 12.239 -1.344) 12.336 1.739 ( 1.267 12.374 3.199) 12.843 1.886 ( -4.056 -3.772 0.953) 5.620 2.037 ( 2.701 -12.617 1.122) 12.951 2.476 ( -2.043 1.806 -1.381) 3.057 2.487 ( -1.018 0.953 0.376) 1.444 2.644 ( -6.050 1.061 -1.270) 6.272 2.751 ( -1.605 -9.043 -0.115) 9.185 3.035 ( 2.298 1.895 1.227) 3.221 3.065 ( 2.762 0.288 -2.768) 3.922 3.208 ( -2.512 -0.140 1.836) 3.114 3.300 ( 1.755 -7.113 -3.206) 7.997 3.661 ( -1.228 5.229 0.709) 5.418 3.665 ( -2.238 4.717 -3.190) 6.119 3.971 ( -2.132 -2.317 0.087) 3.149 4.014 ( 0.831 -6.394 0.614) 6.477 4.217 ( -2.444 1.651 0.581) 3.006 4.237 ( -1.419 -0.016 1.487) 2.056 4.450 ( -0.351 1.030 -1.028) 1.497 4.465 ( 0.493 -0.324 -1.034) 1.191 7.279 ( -5.122 8.947 4.350) 11.189 7.380 ( -3.770 1.395 2.178) 4.571 7.652 ( 0.591 0.247 -1.827) 1.936 7.671 ( 2.735 -2.508 -3.684) 5.229 8.269 ( -3.433 2.702 1.624) 4.661 8.350 ( -0.690 -4.983 0.577) 5.063 8.646 ( -0.151 4.668 -2.147) 5.141 8.721 ( 2.576 -3.948 -1.421) 4.923 8.789 ( 1.226 2.427 0.561) 2.776 8.799 ( 2.784 0.448 -0.531) 2.869 8.865 ( 2.689 -3.911 2.299) 5.274 8.899 ( 3.768 -5.575 -1.220) 6.838 13.633 ( 0.128 3.654 2.677) 4.531 13.671 ( 0.512 0.866 -3.532) 3.673 14.109 ( -0.843 -5.254 2.435) 5.852 14.139 ( -0.711 -7.075 -3.557) 7.950 15.237 ( -3.440 11.734 0.582) 12.242 15.338 ( 1.019 4.728 1.866) 5.184 15.669 ( -2.092 0.205 2.867) 3.555 15.783 ( 1.854 -8.180 -1.031) 8.451 19.017 ( -4.781 2.102 -0.930) 5.305 19.056 ( -2.966 -1.202 -0.006) 3.201 19.691 ( -7.721 -0.963 -3.319) 8.459 19.716 ( -4.777 -2.613 -0.550) 5.473 20.736 ( 7.065 17.765 0.146) 19.119 20.835 ( 8.910 5.642 -4.629) 11.517 20.947 ( -7.578 -4.444 -1.096) 8.853 21.143 ( 4.156 -16.834 4.270) 17.857 23.687 ( -0.710 2.583 1.828) 3.243 23.714 ( -0.264 0.103 -0.383) 0.476 23.978 ( -0.819 1.254 -2.123) 2.599 24.010 ( 0.656 -1.812 -2.000) 2.777 ======================= Grid point 211 (120/129) ======================= q-point: ( 0.17 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -2.834 8.269 6.520) 10.905 0.993 ( -0.294 -6.305 2.190) 6.681 1.027 ( -1.861 2.950 -8.537) 9.222 1.082 ( -0.292 -2.491 -6.045) 6.545 1.133 ( 2.011 1.787 -4.099) 4.903 1.214 ( 2.269 -5.589 -2.692) 6.606 1.390 ( 4.847 4.275 3.662) 7.428 1.491 ( 5.141 -4.668 4.207) 8.119 1.698 ( 0.885 9.340 -3.185) 9.908 1.785 ( 1.630 10.630 3.264) 11.239 1.830 ( -2.242 0.159 1.111) 2.507 2.092 ( 2.270 -13.799 2.373) 14.184 2.410 ( -4.192 2.779 -1.943) 5.391 2.458 ( -3.424 -0.807 -1.076) 3.679 2.507 ( -6.165 4.370 -1.987) 7.814 2.689 ( -3.406 -12.370 -1.105) 12.878 3.044 ( -1.344 3.125 -1.724) 3.813 3.116 ( 0.978 -2.382 0.674) 2.661 3.172 ( 0.707 6.420 -0.654) 6.492 3.319 ( 1.267 -5.873 -2.459) 6.492 3.606 ( -1.797 3.089 -2.563) 4.398 3.625 ( -2.295 2.023 -0.200) 3.066 3.936 ( -2.347 1.530 2.831) 3.983 4.030 ( 0.042 -7.163 0.955) 7.227 4.168 ( -3.072 1.309 1.720) 3.756 4.202 ( -2.899 -1.715 2.222) 4.035 4.431 ( -1.178 2.064 -1.334) 2.725 4.458 ( -0.630 -0.464 -1.986) 2.134 7.190 ( -5.393 9.604 1.219) 11.082 7.295 ( -6.290 1.132 3.416) 7.246 7.652 ( 0.460 0.152 -1.369) 1.452 7.706 ( 1.926 -7.187 -1.897) 7.678 8.214 ( -2.269 4.609 0.215) 5.142 8.314 ( -2.825 -5.071 0.698) 5.847 8.653 ( 1.132 5.552 -1.126) 5.777 8.744 ( 0.743 -3.822 -1.824) 4.299 8.798 ( 0.341 1.510 -1.477) 2.139 8.850 ( 2.635 -3.067 -1.998) 4.510 8.959 ( 5.718 -0.242 1.745) 5.983 9.007 ( 6.713 -3.669 0.396) 7.661 13.635 ( -0.443 4.753 -0.271) 4.781 13.668 ( 0.342 2.324 -1.606) 2.846 14.093 ( -1.244 -6.803 -0.124) 6.917 14.110 ( -1.184 -7.558 -0.851) 7.697 15.188 ( -1.990 12.807 1.275) 13.023 15.354 ( -0.295 -0.831 2.643) 2.786 15.647 ( -1.753 4.434 2.957) 5.611 15.802 ( 0.473 -8.368 -0.719) 8.412 18.895 ( -6.496 1.781 -2.308) 7.120 18.959 ( -6.744 -3.943 -0.657) 7.840 19.552 ( -3.952 4.475 -2.741) 6.570 19.643 ( -2.238 -4.240 0.191) 4.798 20.727 ( -9.546 12.810 3.922) 16.450 20.867 ( 0.212 -3.125 -1.928) 3.678 21.005 ( 10.822 7.908 -5.598) 14.525 21.267 ( 6.700 -15.477 2.001) 16.983 23.692 ( 0.109 2.015 2.496) 3.209 23.713 ( 0.008 0.243 1.168) 1.193 23.942 ( -1.631 1.963 -3.035) 3.965 23.992 ( -1.197 -2.859 -3.123) 4.400 ======================= Grid point 212 (121/129) ======================= q-point: ( 0.25 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -5.234 10.139 4.048) 12.107 0.935 ( -2.657 0.406 -6.200) 6.758 0.978 ( -1.322 -2.105 -3.083) 3.960 1.066 ( 0.351 -6.283 -2.420) 6.743 1.182 ( 4.546 1.360 -4.708) 6.684 1.251 ( 2.550 -5.127 -2.553) 6.269 1.480 ( 2.724 4.381 1.578) 5.395 1.561 ( 0.696 -2.588 0.578) 2.741 1.721 ( 2.459 4.924 -3.070) 6.303 1.791 ( -1.304 -1.659 -0.262) 2.126 1.840 ( 1.501 13.576 3.318) 14.056 2.137 ( 0.659 -14.873 1.604) 14.974 2.304 ( -6.425 1.852 -3.687) 7.636 2.310 ( -5.599 0.864 -5.230) 7.710 2.436 ( -2.746 6.823 -0.114) 7.356 2.637 ( -1.872 -12.225 0.975) 12.406 2.998 ( -2.037 4.063 -2.482) 5.179 3.080 ( -3.038 -3.986 0.857) 5.084 3.238 ( 3.695 6.258 0.660) 7.297 3.314 ( -0.992 -0.417 0.042) 1.077 3.587 ( -0.153 0.352 -1.722) 1.765 3.595 ( 0.750 -0.310 0.268) 0.854 3.898 ( -3.256 4.011 3.680) 6.342 4.011 ( -2.334 -6.750 -0.251) 7.147 4.122 ( -2.728 0.608 3.307) 4.330 4.159 ( -2.560 -2.820 3.466) 5.149 4.393 ( -1.999 2.260 -1.598) 3.414 4.424 ( -1.749 -0.623 -2.670) 3.252 7.085 ( -5.156 10.488 -1.921) 11.844 7.177 ( -7.482 2.679 3.605) 8.726 7.654 ( -0.230 -1.933 0.961) 2.171 7.722 ( 0.268 -10.158 -0.557) 10.177 8.201 ( 1.324 4.109 -1.190) 4.478 8.276 ( -1.133 -3.382 1.131) 3.742 8.651 ( -1.278 3.969 -0.810) 4.247 8.736 ( -0.981 -4.814 -1.739) 5.212 8.801 ( 1.462 4.203 -1.960) 4.862 8.894 ( 2.943 -5.135 -1.863) 6.204 9.073 ( 5.117 2.173 -0.012) 5.560 9.129 ( 5.489 -2.845 -0.145) 6.184 13.620 ( -0.459 6.681 -1.731) 6.917 13.663 ( -0.490 3.380 -0.342) 3.433 14.068 ( -0.494 -7.946 -2.922) 8.481 14.084 ( -1.878 -8.917 2.007) 9.331 15.172 ( -0.424 12.995 1.621) 13.103 15.357 ( -0.467 -2.888 2.564) 3.890 15.619 ( -2.517 6.301 2.533) 7.243 15.791 ( -1.209 -8.508 -0.944) 8.646 18.766 ( -5.330 1.117 -3.026) 6.230 18.822 ( -6.133 -3.938 -1.800) 7.507 19.519 ( 0.597 5.683 -0.199) 5.717 19.630 ( 0.255 -5.470 1.311) 5.631 20.563 ( -8.325 14.698 3.766) 17.307 20.817 ( -4.114 -11.029 -0.027) 11.772 21.191 ( 10.184 9.340 -5.109) 14.733 21.388 ( 4.945 -9.988 0.039) 11.145 23.708 ( 0.489 1.836 1.304) 2.304 23.725 ( 0.437 0.364 2.524) 2.588 23.892 ( -2.091 1.599 -2.835) 3.868 23.942 ( -2.364 -3.074 -3.253) 5.061 ======================= Grid point 213 (122/129) ======================= q-point: ( 0.33 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -3.545 11.169 -0.011) 11.718 0.860 ( -2.062 0.025 -6.341) 6.668 0.954 ( 0.010 0.186 -0.692) 0.717 1.076 ( 1.292 -6.358 0.304) 6.495 1.233 ( 2.349 -1.315 -4.174) 4.967 1.279 ( 1.323 -4.467 -2.675) 5.372 1.489 ( -2.070 1.462 -2.724) 3.721 1.528 ( -2.703 -2.113 -3.904) 5.197 1.736 ( 0.087 2.977 -1.993) 3.583 1.778 ( 0.282 -0.050 0.144) 0.321 1.868 ( -0.135 11.815 2.145) 12.009 2.107 ( -2.560 -8.488 -2.151) 9.123 2.168 ( -4.244 2.205 -4.726) 6.724 2.228 ( -2.931 -3.603 -5.084) 6.886 2.421 ( 1.147 8.371 4.734) 9.685 2.620 ( -0.771 -10.768 2.838) 11.162 2.946 ( -2.438 3.953 -1.984) 5.050 3.019 ( -3.379 -2.997 -0.454) 4.539 3.281 ( 0.062 3.754 1.424) 4.015 3.314 ( 1.446 0.652 -0.088) 1.589 3.594 ( 1.627 1.784 -0.750) 2.529 3.642 ( 2.933 -2.270 2.176) 4.300 3.848 ( -3.437 4.070 4.237) 6.807 3.947 ( -3.731 -5.533 -0.597) 6.700 4.092 ( -2.147 0.811 3.390) 4.093 4.133 ( -1.959 -2.921 3.412) 4.901 4.344 ( -2.191 1.782 -1.821) 3.360 4.374 ( -1.951 -1.029 -2.817) 3.577 6.984 ( -3.791 10.989 -3.333) 12.093 7.046 ( -7.489 5.449 3.081) 9.761 7.656 ( -0.558 -4.896 3.462) 6.022 7.719 ( 0.078 -11.763 -0.608) 11.779 8.246 ( 3.377 2.626 -1.033) 4.401 8.281 ( 0.604 -1.162 1.960) 2.358 8.605 ( -2.398 3.439 -1.869) 4.590 8.688 ( -2.552 -5.193 -3.562) 6.795 8.842 ( 2.828 5.085 0.463) 5.837 8.946 ( 3.007 -5.568 -0.639) 6.360 9.142 ( 2.439 3.481 -1.836) 4.630 9.207 ( 2.852 -3.020 -1.354) 4.369 13.606 ( -0.380 7.858 -1.042) 7.936 13.647 ( -0.924 4.801 -0.644) 4.932 14.052 ( -0.598 -9.807 -0.527) 9.839 14.057 ( -1.019 -9.251 -0.297) 9.311 15.184 ( 0.884 12.904 1.848) 13.066 15.359 ( -0.489 -0.756 1.671) 1.898 15.579 ( -2.476 4.757 2.170) 5.785 15.751 ( -2.314 -8.854 -1.521) 9.277 18.675 ( -2.466 1.001 -3.213) 4.172 18.721 ( -3.515 -3.366 -1.657) 5.141 19.549 ( 1.761 4.571 1.565) 5.142 19.647 ( 0.232 -5.362 2.139) 5.778 20.460 ( -4.048 14.688 4.143) 15.789 20.730 ( -4.702 -12.652 0.148) 13.499 21.337 ( 7.332 6.255 -4.823) 10.777 21.452 ( 1.952 -5.003 -0.605) 5.404 23.721 ( 0.601 2.403 0.137) 2.481 23.749 ( 0.757 -0.137 2.391) 2.512 23.839 ( -2.180 0.888 -1.964) 3.065 23.881 ( -2.375 -2.857 -2.514) 4.486 ======================= Grid point 214 (123/129) ======================= q-point: ( 0.42 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 2.315 10.108 -1.739) 10.515 0.805 ( -0.568 2.141 -6.507) 6.873 0.979 ( 2.237 1.562 2.521) 3.715 1.118 ( 2.315 -5.593 2.450) 6.530 1.231 ( -0.519 -3.360 -3.168) 4.647 1.273 ( -0.909 -5.278 -1.795) 5.649 1.373 ( -6.269 1.344 -7.909) 10.181 1.454 ( -2.553 -5.565 -6.226) 8.732 1.731 ( 0.148 4.452 -0.042) 4.455 1.779 ( -1.107 3.466 0.876) 3.743 1.869 ( 0.643 5.739 0.896) 5.844 2.047 ( -4.095 -7.751 -1.079) 8.832 2.085 ( -1.765 4.526 -4.009) 6.299 2.149 ( -1.931 -1.821 -6.199) 6.744 2.507 ( 4.127 5.511 7.303) 10.037 2.645 ( 1.692 -7.125 5.541) 9.183 2.877 ( -3.461 4.337 -3.914) 6.790 2.955 ( -2.550 -3.338 -2.802) 5.050 3.285 ( 0.242 2.535 -0.058) 2.548 3.329 ( 0.017 -1.552 -1.408) 2.096 3.641 ( 2.914 3.611 2.292) 5.175 3.715 ( 3.029 -3.113 3.841) 5.799 3.820 ( -1.324 2.088 4.248) 4.915 3.872 ( -3.600 -3.028 -0.856) 4.781 4.064 ( -1.953 1.848 2.160) 3.449 4.110 ( -1.912 -2.121 2.081) 3.533 4.301 ( -1.288 1.028 -1.405) 2.165 4.331 ( -1.031 -1.721 -2.771) 3.421 6.920 ( -1.440 9.891 -2.980) 10.430 6.930 ( -5.191 8.515 1.883) 10.149 7.665 ( -0.386 -6.923 4.741) 8.400 7.727 ( 1.194 -12.582 -1.248) 12.700 8.298 ( -0.365 1.262 3.349) 3.598 8.304 ( 2.075 1.014 1.105) 2.560 8.558 ( -0.914 2.486 -3.250) 4.193 8.619 ( -2.193 -3.775 -5.341) 6.899 8.904 ( 2.835 4.473 2.364) 5.799 8.999 ( 2.398 -4.756 0.226) 5.332 9.154 ( 0.087 3.589 -2.335) 4.283 9.225 ( -0.006 -3.580 -2.540) 4.390 13.594 ( -1.242 8.117 1.741) 8.394 13.629 ( 0.195 6.054 -2.747) 6.651 14.026 ( -2.314 -9.321 3.657) 10.277 14.057 ( 1.731 -10.972 -4.472) 11.974 15.220 ( 1.822 12.578 2.103) 12.882 15.345 ( -1.428 5.545 0.009) 5.726 15.559 ( -0.455 -0.830 2.566) 2.735 15.695 ( -2.438 -9.062 -2.200) 9.639 18.642 ( 0.295 0.226 -3.061) 3.084 18.666 ( -1.751 -2.088 -1.446) 3.085 19.590 ( 1.527 2.776 2.185) 3.848 19.649 ( -1.020 -3.128 2.146) 3.928 20.446 ( 0.385 10.111 4.653) 11.137 20.644 ( -4.124 -9.759 -0.410) 10.603 21.429 ( 4.331 2.373 -4.233) 6.504 21.462 ( -0.514 -0.698 -0.543) 1.024 23.734 ( 0.845 2.461 -0.411) 2.634 23.774 ( 0.904 -0.614 1.388) 1.767 23.791 ( -2.110 0.837 -1.093) 2.519 23.835 ( -1.403 -2.611 -1.490) 3.317 ======================= Grid point 215 (124/129) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 3.320 7.052 -2.890) 8.313 0.770 ( -0.617 5.154 -6.079) 7.994 1.065 ( 5.019 2.702 4.780) 7.439 1.167 ( 0.752 0.651 0.936) 1.366 1.196 ( -3.200 -5.477 -4.722) 7.908 1.207 ( -2.412 -1.000 -3.821) 4.628 1.273 ( -0.004 -5.189 0.939) 5.273 1.375 ( -2.475 -9.668 -7.093) 12.243 1.729 ( -1.773 6.941 2.547) 7.603 1.762 ( 0.687 4.315 -0.345) 4.383 1.918 ( 3.058 -0.704 1.265) 3.383 1.952 ( -3.304 -2.051 -2.086) 4.413 2.055 ( -1.100 2.231 -0.565) 2.550 2.107 ( 0.291 -2.804 -5.074) 5.805 2.625 ( 4.523 5.124 7.044) 9.815 2.717 ( 1.028 -2.015 2.698) 3.521 2.805 ( 0.182 2.295 -2.670) 3.525 2.887 ( -2.458 -4.062 -5.835) 7.523 3.284 ( -1.236 1.191 0.956) 1.964 3.313 ( 0.053 -1.652 -1.869) 2.495 3.717 ( 2.825 2.974 3.663) 5.500 3.769 ( -0.864 -2.065 -0.530) 2.301 3.813 ( 0.168 -0.016 2.063) 2.070 3.830 ( -0.005 -1.635 1.784) 2.420 4.050 ( -0.290 2.273 2.881) 3.681 4.081 ( -1.337 -0.447 0.541) 1.510 4.285 ( 0.117 0.335 -0.711) 0.795 4.313 ( 0.603 -2.222 -2.905) 3.707 6.863 ( -2.221 11.323 2.102) 11.728 6.918 ( 2.535 7.489 -3.433) 8.619 7.680 ( -0.284 -7.792 4.209) 8.861 7.746 ( 1.365 -12.596 -2.436) 12.902 8.288 ( -2.837 2.774 5.574) 6.842 8.325 ( -0.949 -0.802 3.562) 3.773 8.545 ( 0.915 1.203 -4.406) 4.658 8.573 ( 0.741 -1.440 -5.722) 5.947 8.964 ( 1.830 3.707 3.071) 5.150 9.019 ( -0.646 -0.359 -1.847) 1.990 9.149 ( 0.474 -0.373 0.610) 0.858 9.189 ( -2.117 -3.407 -2.850) 4.921 13.571 ( -2.039 8.605 3.004) 9.340 13.634 ( 1.588 5.403 -3.167) 6.461 14.000 ( -1.975 -7.685 3.298) 8.593 14.078 ( 2.411 -12.423 -4.349) 13.381 15.268 ( 1.626 11.914 2.465) 12.275 15.309 ( -1.333 10.339 -1.554) 10.540 15.585 ( 1.684 -5.382 2.979) 6.378 15.644 ( -1.557 -8.521 -2.782) 9.098 18.636 ( -0.729 -0.022 -1.510) 1.677 18.650 ( 1.808 -1.491 -2.978) 3.790 19.628 ( 1.451 0.323 1.938) 2.442 19.633 ( -1.378 -0.147 1.499) 2.041 20.502 ( 2.747 3.136 4.986) 6.499 20.568 ( -3.308 -3.535 -1.267) 5.004 21.426 ( -2.764 3.288 0.804) 4.370 21.477 ( 2.276 -1.871 -3.823) 4.826 23.746 ( -0.695 1.404 0.268) 1.589 23.754 ( -0.240 1.231 -0.510) 1.354 23.796 ( 0.901 -0.607 0.430) 1.169 23.816 ( 0.261 -1.980 -1.553) 2.530 ======================= Grid point 216 (125/129) ======================= q-point: (-0.42 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -1.507 6.419 -5.808) 8.787 0.763 ( 1.465 4.768 -2.744) 5.693 1.078 ( -3.396 4.475 -6.514) 8.601 1.160 ( -1.199 0.431 0.343) 1.319 1.191 ( 0.173 -4.613 0.049) 4.616 1.220 ( 5.592 2.793 5.693) 8.455 1.287 ( -0.997 -9.953 -1.390) 10.099 1.345 ( 3.164 -9.743 1.577) 10.365 1.709 ( -0.987 6.198 2.106) 6.620 1.779 ( 0.027 0.510 0.945) 1.074 1.897 ( -0.105 5.423 -2.044) 5.796 2.008 ( 3.610 -3.111 1.734) 5.072 2.038 ( 0.059 3.492 0.772) 3.577 2.115 ( 2.216 -4.970 -2.134) 5.845 2.642 ( -4.080 4.845 -4.822) 7.961 2.726 ( 0.627 -1.402 0.749) 1.708 2.841 ( 2.942 0.897 -2.975) 4.279 2.902 ( 6.018 -3.583 1.826) 7.238 3.256 ( -1.588 3.249 2.114) 4.189 3.319 ( 0.463 -2.258 -0.358) 2.333 3.680 ( -4.780 2.834 -1.430) 5.738 3.757 ( -1.817 -4.046 -0.072) 4.436 3.851 ( 3.029 0.609 0.958) 3.234 3.867 ( 2.601 -1.008 -0.216) 2.797 4.080 ( 1.585 0.978 1.832) 2.613 4.089 ( 1.989 0.283 3.437) 3.981 4.296 ( 1.346 0.605 -1.000) 1.782 4.325 ( 1.635 -2.080 -2.420) 3.585 6.864 ( 1.261 13.809 2.084) 14.022 6.987 ( 5.996 4.318 -3.279) 8.084 7.687 ( -0.793 -8.077 2.947) 8.634 7.751 ( 0.596 -11.531 -3.742) 12.138 8.245 ( -4.011 3.704 5.763) 7.939 8.309 ( -2.167 -2.533 3.744) 5.013 8.547 ( 1.451 2.612 -2.687) 4.019 8.599 ( 3.405 -2.343 -3.602) 5.483 8.961 ( -3.380 3.196 -2.934) 5.499 8.990 ( -1.012 0.523 1.303) 1.731 9.133 ( -2.119 -0.228 -0.536) 2.198 9.173 ( 0.454 -3.594 2.354) 4.320 13.549 ( -1.671 9.157 3.226) 9.851 13.655 ( 1.779 2.727 -2.395) 4.042 13.983 ( -1.172 -5.001 2.806) 5.853 14.108 ( 2.634 -13.330 -4.341) 14.264 15.255 ( -1.759 13.339 -1.069) 13.497 15.333 ( 2.325 8.116 1.018) 8.504 15.614 ( 0.202 -6.305 -2.705) 6.863 15.644 ( 2.617 -6.730 2.742) 7.725 18.626 ( 0.583 1.916 -1.524) 2.517 18.679 ( 2.507 -3.314 -2.780) 5.000 19.609 ( -1.556 2.313 0.478) 2.828 19.662 ( 1.233 -2.955 0.974) 3.347 20.513 ( -1.434 4.241 -1.694) 4.787 20.587 ( 3.598 -3.177 4.961) 6.903 21.360 ( -4.723 6.762 1.938) 8.472 21.489 ( 0.507 -5.983 -2.856) 6.649 23.722 ( -1.133 2.647 0.718) 2.968 23.767 ( 0.630 -1.335 1.094) 1.837 23.809 ( 1.025 0.285 -1.796) 2.087 23.832 ( 1.683 -1.352 -1.261) 2.500 ======================= Grid point 217 (126/129) ======================= q-point: (-0.33 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 0.310 8.267 -0.342) 8.280 0.800 ( 3.463 2.202 -1.333) 4.315 1.003 ( -1.644 3.286 -4.911) 6.133 1.115 ( -2.598 -0.382 -0.722) 2.724 1.176 ( -2.010 -5.029 0.491) 5.438 1.240 ( -1.493 -6.685 0.668) 6.882 1.384 ( 5.496 -0.195 6.459) 8.483 1.437 ( 3.998 -4.822 4.034) 7.451 1.702 ( -1.165 5.375 1.786) 5.783 1.774 ( -0.355 -1.908 0.593) 2.029 1.904 ( 0.791 9.265 -1.741) 9.460 2.043 ( 1.697 -1.676 2.311) 3.322 2.102 ( 3.904 0.969 2.010) 4.496 2.168 ( 3.249 -6.298 0.882) 7.142 2.545 ( -2.839 5.945 -5.792) 8.772 2.695 ( -0.963 -8.158 -3.598) 8.968 2.928 ( 3.987 5.137 -0.504) 6.522 3.017 ( 5.317 -3.319 -0.420) 6.282 3.257 ( 0.452 4.611 3.725) 5.945 3.315 ( -0.899 0.612 -0.562) 1.224 3.589 ( -3.456 2.143 -0.404) 4.087 3.688 ( -4.212 -6.192 -1.750) 7.690 3.911 ( 2.890 0.315 -1.775) 3.406 3.927 ( 3.803 -0.904 0.712) 3.973 4.132 ( 2.981 0.778 0.283) 3.094 4.157 ( 3.182 -1.282 2.137) 4.042 4.327 ( 2.215 1.019 -0.681) 2.532 4.349 ( 1.756 -1.147 -1.205) 2.419 6.927 ( 4.176 15.213 2.311) 15.944 7.110 ( 7.981 0.726 -3.234) 8.642 7.672 ( -2.088 -6.670 2.233) 7.337 7.742 ( 0.258 -9.537 -3.041) 10.013 8.196 ( -2.934 4.322 3.626) 6.359 8.285 ( -1.477 -4.333 2.124) 5.047 8.580 ( 2.426 3.720 0.152) 4.443 8.657 ( 3.471 -3.734 -0.908) 5.178 8.872 ( -4.338 3.720 -2.467) 6.224 8.940 ( -3.933 -3.206 -0.042) 5.074 9.104 ( -1.760 3.268 1.719) 4.090 9.174 ( -1.611 -3.530 1.891) 4.316 13.538 ( -0.985 9.147 3.612) 9.884 13.677 ( 1.343 -0.715 -1.678) 2.265 13.983 ( 0.036 -1.955 2.263) 2.991 14.138 ( 2.494 -13.578 -4.371) 14.480 15.222 ( -0.874 14.187 -1.748) 14.321 15.374 ( 1.571 2.875 0.254) 3.286 15.626 ( 2.163 -2.138 -2.441) 3.900 15.708 ( 2.508 -6.585 2.793) 7.580 18.652 ( 2.933 2.918 -1.040) 4.266 18.726 ( 3.715 -4.245 -2.100) 6.019 19.574 ( -2.150 4.279 -0.575) 4.823 19.675 ( -0.136 -6.007 -0.494) 6.029 20.513 ( 2.452 10.344 -1.027) 10.680 20.681 ( 3.866 -6.795 4.755) 9.151 21.258 ( -7.033 10.327 2.472) 12.737 21.470 ( -1.368 -10.506 -2.205) 10.822 23.712 ( -0.274 3.920 1.012) 4.058 23.785 ( 0.659 -3.289 0.590) 3.406 23.823 ( 1.361 1.951 -1.907) 3.049 23.862 ( 1.968 -1.889 -0.879) 2.866 ======================= Grid point 218 (127/129) ======================= q-point: (-0.25 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 1.743 8.726 7.312) 11.517 0.871 ( 3.435 -2.254 1.226) 4.288 0.969 ( -0.014 3.426 -4.310) 5.506 1.074 ( -1.806 2.311 2.190) 3.661 1.116 ( -3.996 -5.458 -0.464) 6.780 1.215 ( -1.342 -7.177 0.333) 7.309 1.465 ( -0.075 2.017 3.240) 3.817 1.516 ( 2.072 -2.527 4.126) 5.263 1.669 ( -3.013 6.871 2.170) 7.810 1.787 ( 1.690 -4.230 0.104) 4.556 1.892 ( -1.107 10.987 -2.058) 11.233 2.108 ( 2.422 -8.870 2.763) 9.601 2.207 ( 6.014 0.337 4.047) 7.257 2.242 ( 4.682 -3.954 2.304) 6.547 2.502 ( 1.089 7.827 -4.974) 9.338 2.680 ( 0.875 -9.712 -2.760) 10.134 2.963 ( 0.423 6.734 -0.025) 6.748 3.091 ( 2.498 -5.653 -0.858) 6.240 3.251 ( -4.193 7.408 0.459) 8.525 3.310 ( 1.660 1.868 0.810) 2.627 3.562 ( -0.159 -0.468 0.533) 0.727 3.609 ( -2.112 -5.515 -0.485) 5.926 3.957 ( 2.768 1.179 -2.054) 3.643 4.002 ( 3.515 -2.545 0.309) 4.351 4.181 ( 2.337 0.619 -1.970) 3.119 4.216 ( 2.516 -2.394 -1.262) 3.695 4.371 ( 2.331 1.127 0.239) 2.600 4.382 ( 1.819 0.090 0.773) 1.978 7.041 ( 6.425 14.715 2.305) 16.221 7.249 ( 7.766 -2.128 -3.375) 8.731 7.629 ( -3.454 -1.975 3.210) 5.113 7.731 ( -0.668 -8.887 -1.263) 9.001 8.179 ( 0.349 4.459 1.010) 4.585 8.283 ( 0.843 -5.800 0.609) 5.892 8.630 ( 2.073 4.051 1.136) 4.690 8.717 ( 2.586 -4.538 0.466) 5.244 8.780 ( -4.210 4.023 -0.535) 5.847 8.859 ( -4.348 -4.102 1.232) 6.103 9.061 ( -3.588 3.149 1.056) 4.889 9.125 ( -4.047 -2.983 0.426) 5.045 13.543 ( -0.349 8.508 4.041) 9.426 13.690 ( 0.665 -3.311 -1.186) 3.579 14.004 ( 1.161 0.056 1.817) 2.157 14.163 ( 2.094 -13.109 -4.325) 13.962 15.208 ( 0.295 14.645 -1.860) 14.766 15.396 ( 0.950 -1.246 -1.068) 1.896 15.666 ( 2.752 0.518 -2.049) 3.470 15.758 ( 1.294 -5.915 2.479) 6.543 18.734 ( 5.812 3.001 -0.096) 6.542 18.813 ( 6.317 -4.355 -0.970) 7.734 19.529 ( -1.761 6.205 -0.956) 6.521 19.659 ( -0.554 -6.859 -1.540) 7.052 20.598 ( 6.230 11.294 0.571) 12.911 20.771 ( 2.955 -6.655 4.477) 8.548 21.109 ( -9.594 14.175 2.235) 17.262 21.414 ( -3.356 -15.580 -2.370) 16.113 23.718 ( 0.419 4.632 0.317) 4.661 23.790 ( 0.296 -2.094 -2.843) 3.544 23.849 ( 1.519 1.725 0.898) 2.468 23.900 ( 2.094 -2.852 0.349) 3.555 ======================= Grid point 219 (128/129) ======================= q-point: (-0.17 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 2.856 6.275 11.136) 13.097 0.921 ( -1.037 -3.808 6.129) 7.289 0.958 ( 1.432 2.289 -2.706) 3.823 1.018 ( -4.803 1.742 1.081) 5.222 1.083 ( 0.729 -1.731 0.828) 2.053 1.195 ( -0.536 -6.499 -1.264) 6.643 1.430 ( -3.526 3.330 -0.187) 4.853 1.524 ( -2.778 -5.452 0.785) 6.169 1.631 ( -1.496 12.257 3.637) 12.873 1.827 ( 1.456 -3.625 -0.885) 4.005 1.857 ( -0.390 8.815 -1.461) 8.943 2.114 ( -2.080 -13.517 0.361) 13.681 2.354 ( 6.732 1.900 3.827) 7.973 2.397 ( 8.511 -2.243 3.681) 9.541 2.529 ( 3.184 7.092 -3.304) 8.447 2.699 ( 2.072 -9.693 -1.860) 10.085 2.970 ( -0.009 6.927 3.172) 7.619 3.100 ( -2.730 -2.699 1.428) 4.096 3.175 ( -1.371 4.158 -0.178) 4.381 3.313 ( -1.837 -5.334 -0.738) 5.689 3.563 ( 1.098 3.305 1.840) 3.939 3.631 ( 2.808 -2.542 -0.148) 3.791 3.992 ( 1.690 1.542 -2.415) 3.327 4.057 ( 2.192 -3.999 -1.271) 4.734 4.206 ( 1.453 0.890 -2.410) 2.952 4.243 ( 1.320 -2.255 -1.854) 3.204 4.411 ( 1.543 1.363 0.604) 2.145 4.423 ( 1.630 0.210 1.337) 2.118 7.186 ( 7.480 12.827 1.448) 14.919 7.367 ( 5.745 -1.291 -3.397) 6.798 7.577 ( -3.625 1.138 5.172) 6.418 7.700 ( -1.969 -8.475 -0.629) 8.724 8.222 ( 3.722 3.736 -0.492) 5.296 8.321 ( 2.584 -5.957 0.090) 6.494 8.641 ( -1.698 5.412 0.038) 5.672 8.716 ( -1.801 -1.272 0.845) 2.361 8.759 ( 0.558 -1.205 1.988) 2.391 8.800 ( -2.266 -3.283 2.739) 4.839 8.980 ( -4.679 1.181 -0.327) 4.837 9.027 ( -5.727 -2.801 -1.256) 6.498 13.560 ( 0.098 7.311 4.286) 8.475 13.692 ( 0.148 -4.086 -1.180) 4.255 14.040 ( 1.652 0.253 1.640) 2.341 14.178 ( 1.448 -11.920 -4.144) 12.702 15.218 ( 1.513 14.661 -1.559) 14.821 15.400 ( 0.040 -1.171 -1.810) 2.156 15.701 ( 1.807 -0.370 -2.253) 2.912 15.775 ( -0.681 -5.385 2.105) 5.822 18.863 ( 7.070 3.406 0.550) 7.867 18.958 ( 8.474 -5.479 -0.444) 10.101 19.523 ( 2.367 7.714 0.035) 8.069 19.662 ( 2.116 -6.014 -1.758) 6.613 20.733 ( 5.199 6.662 4.064) 9.377 20.823 ( 0.942 -3.803 3.284) 5.112 20.918 ( -10.405 19.167 0.698) 21.821 21.323 ( -4.581 -19.905 -3.132) 20.664 23.726 ( 0.513 4.229 -1.262) 4.443 23.773 ( -0.318 -0.228 -4.083) 4.102 23.888 ( 1.834 1.588 2.166) 3.253 23.943 ( 1.829 -3.307 1.503) 4.067 ======================= Grid point 220 (129/129) ======================= q-point: (-0.08 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -3.199 3.709 6.484) 8.126 0.939 ( 2.493 3.901 8.122) 9.349 0.952 ( -0.485 -0.897 0.947) 1.391 1.009 ( 2.211 -2.958 6.010) 7.054 1.104 ( 0.898 -0.415 0.324) 1.041 1.180 ( -0.257 -4.911 -2.396) 5.470 1.349 ( -3.893 2.549 -2.284) 5.183 1.440 ( -4.695 -5.483 -2.591) 7.669 1.643 ( 0.407 14.568 4.849) 15.359 1.799 ( -1.755 10.922 -2.040) 11.249 1.904 ( 3.686 -8.005 -0.410) 8.822 2.054 ( -3.810 -11.272 -0.421) 11.905 2.465 ( 3.361 3.286 0.100) 4.701 2.521 ( 2.409 -0.224 -1.724) 2.971 2.609 ( 6.159 2.240 1.617) 6.750 2.742 ( 2.329 -8.973 0.038) 9.270 2.984 ( -1.382 5.295 4.462) 7.061 3.036 ( -1.866 1.702 1.062) 2.739 3.197 ( 1.359 -3.025 3.278) 4.663 3.267 ( -1.223 -7.517 -0.877) 7.666 3.613 ( 2.335 6.121 2.222) 6.918 3.682 ( 2.386 0.087 -0.964) 2.575 3.999 ( 0.373 0.167 -2.615) 2.647 4.066 ( -0.203 -5.302 -3.473) 6.342 4.223 ( 1.091 1.885 -0.430) 2.220 4.255 ( 0.448 -1.008 -0.514) 1.217 4.436 ( 0.941 1.065 0.382) 1.471 4.450 ( 0.697 -0.193 0.496) 0.877 7.319 ( 4.716 10.272 1.494) 11.401 7.420 ( 1.157 4.086 -2.740) 5.054 7.559 ( -0.287 0.369 5.370) 5.390 7.668 ( -0.362 -7.034 -1.666) 7.238 8.293 ( 3.249 1.716 -0.554) 3.716 8.354 ( 0.029 -3.959 0.205) 3.964 8.615 ( 0.207 4.423 0.858) 4.510 8.684 ( -1.960 -3.569 1.894) 4.491 8.775 ( 0.244 0.406 1.535) 1.607 8.784 ( -1.161 -1.171 1.336) 2.122 8.894 ( -3.965 -2.229 -0.740) 4.609 8.914 ( -3.993 -3.175 -2.325) 5.606 13.584 ( 0.405 5.785 4.154) 7.134 13.687 ( 0.032 -3.247 -1.790) 3.708 14.078 ( 1.322 -0.995 1.783) 2.433 14.180 ( 0.579 -10.139 -3.879) 10.871 15.251 ( 2.418 13.620 -0.770) 13.855 15.374 ( -2.118 3.252 -1.636) 4.211 15.720 ( 1.373 -3.683 -1.968) 4.395 15.753 ( -2.334 -5.080 1.803) 5.874 18.989 ( 5.080 4.110 1.011) 6.612 19.082 ( 3.936 -4.645 -1.794) 6.347 19.644 ( 9.017 3.485 1.082) 9.727 19.731 ( 5.414 -4.423 -1.929) 7.252 20.706 ( -7.480 10.809 3.208) 13.531 20.754 ( -6.346 9.034 3.456) 11.569 20.929 ( 7.005 1.151 0.414) 7.111 21.218 ( -4.864 -18.751 -3.010) 19.604 23.722 ( -0.272 3.277 -1.752) 3.726 23.746 ( -0.536 0.707 -3.481) 3.592 23.938 ( 2.308 1.333 1.830) 3.233 23.978 ( 1.054 -2.433 1.157) 2.893 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25200 10.0 8.334 11.183 12.000 0.000 0.727 0.000 3/25200 20.0 2.954 5.027 4.571 0.000 0.422 0.000 3/25200 30.0 1.776 3.300 2.703 0.000 0.256 0.000 3/25200 40.0 1.285 2.464 1.919 0.000 0.184 0.000 3/25200 50.0 1.019 1.977 1.499 0.000 0.145 0.000 3/25200 60.0 0.852 1.662 1.237 0.000 0.121 0.000 3/25200 70.0 0.738 1.445 1.058 0.000 0.104 0.000 3/25200 80.0 0.654 1.288 0.927 0.000 0.091 0.000 3/25200 90.0 0.590 1.169 0.827 0.000 0.081 0.000 3/25200 100.0 0.539 1.076 0.748 0.000 0.074 0.000 3/25200 110.0 0.498 1.003 0.684 0.000 0.067 0.000 3/25200 120.0 0.463 0.942 0.632 0.000 0.062 0.000 3/25200 130.0 0.434 0.892 0.587 0.000 0.057 0.000 3/25200 140.0 0.409 0.849 0.550 0.000 0.053 0.000 3/25200 150.0 0.387 0.812 0.517 0.000 0.049 0.000 3/25200 160.0 0.368 0.779 0.489 0.000 0.046 0.000 3/25200 170.0 0.352 0.750 0.465 0.000 0.043 0.000 3/25200 180.0 0.337 0.723 0.443 0.000 0.041 0.000 3/25200 190.0 0.324 0.699 0.423 0.000 0.038 0.000 3/25200 200.0 0.312 0.677 0.405 0.000 0.036 0.000 3/25200 210.0 0.301 0.656 0.389 0.000 0.034 0.000 3/25200 220.0 0.292 0.636 0.375 0.000 0.033 0.000 3/25200 230.0 0.282 0.618 0.361 0.000 0.031 0.000 3/25200 240.0 0.274 0.601 0.349 0.000 0.030 0.000 3/25200 250.0 0.266 0.585 0.338 0.000 0.028 0.000 3/25200 260.0 0.259 0.570 0.327 0.000 0.027 0.000 3/25200 270.0 0.252 0.555 0.317 0.000 0.026 0.000 3/25200 280.0 0.246 0.541 0.308 0.000 0.025 0.000 3/25200 290.0 0.240 0.528 0.299 0.000 0.024 0.000 3/25200 300.0 0.234 0.515 0.291 0.000 0.023 0.000 3/25200 310.0 0.228 0.503 0.283 0.000 0.022 0.000 3/25200 320.0 0.223 0.492 0.276 0.000 0.021 0.000 3/25200 330.0 0.218 0.480 0.269 0.000 0.021 0.000 3/25200 340.0 0.213 0.470 0.262 0.000 0.020 0.000 3/25200 350.0 0.209 0.460 0.256 0.000 0.019 0.000 3/25200 360.0 0.204 0.450 0.250 0.000 0.019 0.000 3/25200 370.0 0.200 0.440 0.244 0.000 0.018 0.000 3/25200 380.0 0.196 0.431 0.239 0.000 0.018 0.000 3/25200 390.0 0.192 0.422 0.234 0.000 0.017 0.000 3/25200 400.0 0.189 0.414 0.229 0.000 0.017 0.000 3/25200 410.0 0.185 0.406 0.224 0.000 0.016 0.000 3/25200 420.0 0.182 0.398 0.219 0.000 0.016 0.000 3/25200 430.0 0.178 0.391 0.215 0.000 0.015 0.000 3/25200 440.0 0.175 0.383 0.211 0.000 0.015 0.000 3/25200 450.0 0.172 0.376 0.206 0.000 0.015 0.000 3/25200 460.0 0.169 0.369 0.203 0.000 0.014 0.000 3/25200 470.0 0.166 0.363 0.199 0.000 0.014 0.000 3/25200 480.0 0.163 0.356 0.195 0.000 0.014 0.000 3/25200 490.0 0.160 0.350 0.192 0.000 0.013 0.000 3/25200 500.0 0.158 0.344 0.188 0.000 0.013 0.000 3/25200 510.0 0.155 0.338 0.185 0.000 0.013 0.000 3/25200 520.0 0.153 0.333 0.182 0.000 0.012 0.000 3/25200 530.0 0.150 0.327 0.179 0.000 0.012 0.000 3/25200 540.0 0.148 0.322 0.176 0.000 0.012 0.000 3/25200 550.0 0.146 0.317 0.173 0.000 0.012 0.000 3/25200 560.0 0.143 0.312 0.170 0.000 0.011 0.000 3/25200 570.0 0.141 0.307 0.167 0.000 0.011 0.000 3/25200 580.0 0.139 0.303 0.165 0.000 0.011 0.000 3/25200 590.0 0.137 0.298 0.162 0.000 0.011 0.000 3/25200 600.0 0.135 0.294 0.160 0.000 0.011 0.000 3/25200 610.0 0.133 0.289 0.157 0.000 0.010 0.000 3/25200 620.0 0.131 0.285 0.155 0.000 0.010 0.000 3/25200 630.0 0.129 0.281 0.153 0.000 0.010 0.000 3/25200 640.0 0.128 0.277 0.151 0.000 0.010 0.000 3/25200 650.0 0.126 0.273 0.148 0.000 0.010 0.000 3/25200 660.0 0.124 0.269 0.146 0.000 0.010 0.000 3/25200 670.0 0.123 0.266 0.144 0.000 0.010 0.000 3/25200 680.0 0.121 0.262 0.142 0.000 0.009 0.000 3/25200 690.0 0.119 0.259 0.140 0.000 0.009 0.000 3/25200 700.0 0.118 0.255 0.139 0.000 0.009 0.000 3/25200 710.0 0.116 0.252 0.137 0.000 0.009 0.000 3/25200 720.0 0.115 0.249 0.135 0.000 0.009 0.000 3/25200 730.0 0.114 0.246 0.133 0.000 0.009 0.000 3/25200 740.0 0.112 0.243 0.132 0.000 0.009 0.000 3/25200 750.0 0.111 0.240 0.130 0.000 0.008 0.000 3/25200 760.0 0.109 0.237 0.128 0.000 0.008 0.000 3/25200 770.0 0.108 0.234 0.127 0.000 0.008 0.000 3/25200 780.0 0.107 0.231 0.125 0.000 0.008 0.000 3/25200 790.0 0.106 0.228 0.124 0.000 0.008 0.000 3/25200 800.0 0.104 0.226 0.122 0.000 0.008 0.000 3/25200 810.0 0.103 0.223 0.121 0.000 0.008 0.000 3/25200 820.0 0.102 0.221 0.120 0.000 0.008 0.000 3/25200 830.0 0.101 0.218 0.118 0.000 0.008 0.000 3/25200 840.0 0.100 0.216 0.117 0.000 0.008 0.000 3/25200 850.0 0.099 0.213 0.116 0.000 0.007 0.000 3/25200 860.0 0.098 0.211 0.114 0.000 0.007 0.000 3/25200 870.0 0.097 0.209 0.113 0.000 0.007 0.000 3/25200 880.0 0.096 0.206 0.112 0.000 0.007 0.000 3/25200 890.0 0.095 0.204 0.111 0.000 0.007 0.000 3/25200 900.0 0.094 0.202 0.109 0.000 0.007 0.000 3/25200 910.0 0.093 0.200 0.108 0.000 0.007 0.000 3/25200 920.0 0.092 0.198 0.107 0.000 0.007 0.000 3/25200 930.0 0.091 0.196 0.106 0.000 0.007 0.000 3/25200 940.0 0.090 0.194 0.105 0.000 0.007 0.000 3/25200 950.0 0.089 0.192 0.104 0.000 0.007 0.000 3/25200 960.0 0.088 0.190 0.103 0.000 0.007 0.000 3/25200 970.0 0.087 0.188 0.102 0.000 0.006 0.000 3/25200 980.0 0.087 0.186 0.101 0.000 0.006 0.000 3/25200 990.0 0.086 0.185 0.100 0.000 0.006 0.000 3/25200 1000.0 0.085 0.183 0.099 0.000 0.006 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m1257.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:23:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|