----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:02:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.805052750001631 -8.586255299999999 0.000000000000000 b 4.805052750001631 8.586255299999999 0.000000000000000 c -4.582302107691698 0.000000000000000 6.118324456426040 Atomic positions (fractional): *1 Cs 0.01756511298391 0.40904731278108 0.73436694689323 132.905 *2 Cs 0.01154189579231 0.98845810420769 0.75000000000000 132.905 3 Cs 0.40904731278108 0.01756511298391 0.23436694689323 132.905 4 Cs 0.98845810420769 0.01154189579231 0.25000000000000 132.905 5 Cs 0.59095268721892 0.98243488701609 0.76563305310677 132.905 6 Cs 0.98243488701609 0.59095268721892 0.26563305310677 132.905 *7 Al 0.44092369444150 0.55907630555850 0.75000000000000 26.982 8 Al 0.55907630555850 0.44092369444150 0.25000000000000 26.982 *9 Ge 0.43547750611015 0.23599640416402 0.75962517371966 72.640 10 Ge 0.76400359583598 0.56452249388985 0.74037482628034 72.640 11 Ge 0.23599640416402 0.43547750611015 0.25962517371966 72.640 12 Ge 0.56452249388985 0.76400359583598 0.24037482628034 72.640 *13 O 0.33689748428144 0.34220679811124 0.73405726934925 15.999 14 O 0.34220679811124 0.33689748428144 0.23405726934925 15.999 *15 O 0.72593211881471 0.47988566663161 0.47662060382640 15.999 16 O 0.65779320188876 0.66310251571856 0.76594273065075 15.999 *17 O 0.72774026869642 0.00123204853093 0.44445344573183 15.999 18 O 0.27406788118529 0.52011433336839 0.52337939617360 15.999 19 O 0.00123204853093 0.72774026869642 0.94445344573183 15.999 20 O 0.47988566663161 0.72593211881471 0.97662060382640 15.999 *21 O 0.35391757691680 0.64608242308320 0.25000000000000 15.999 22 O 0.66310251571856 0.65779320188876 0.26594273065075 15.999 23 O 0.99876795146907 0.27225973130358 0.05554655426817 15.999 24 O 0.64608242308320 0.35391757691680 0.75000000000000 15.999 25 O 0.27225973130358 0.99876795146907 0.55554655426817 15.999 26 O 0.52011433336839 0.27406788118529 0.02337939617360 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.610105500003263 0.000000000000000 0.000000000000000 b 0.000000000000000 17.172510599999999 0.000000000000000 c -4.582302107691698 0.000000000000000 6.118324456426040 Atomic positions (fractional): *1 Cs 0.71330621288250 0.69574109989859 0.73436694689323 132.905 > 1 *2 Cs 0.00000000000000 0.98845810420769 0.75000000000000 132.905 > 2 3 Cs 0.21330621288250 0.80425890010141 0.23436694689323 132.905 > 3 4 Cs 0.50000000000000 0.51154189579231 0.25000000000000 132.905 > 4 5 Cs 0.28669378711750 0.69574109989859 0.76563305310677 132.905 > 5 6 Cs 0.78669378711750 0.80425890010141 0.26563305310677 132.905 > 6 7 Cs 0.21330621288250 0.19574109989859 0.73436694689323 132.905 > 1 8 Cs 0.50000000000000 0.48845810420769 0.75000000000000 132.905 > 2 9 Cs 0.71330621288250 0.30425890010141 0.23436694689323 132.905 > 3 10 Cs 0.00000000000000 0.01154189579231 0.25000000000000 132.905 > 4 11 Cs 0.78669378711750 0.19574109989859 0.76563305310677 132.905 > 5 12 Cs 0.28669378711750 0.30425890010141 0.26563305310677 132.905 > 6 *13 Al 0.00000000000000 0.55907630555850 0.75000000000000 26.982 > 7 14 Al 0.50000000000000 0.94092369444150 0.25000000000000 26.982 > 8 15 Al 0.50000000000000 0.05907630555850 0.75000000000000 26.982 > 7 16 Al 0.00000000000000 0.44092369444150 0.25000000000000 26.982 > 8 *17 Ge 0.33573695513708 0.90025944902694 0.75962517371966 72.640 > 9 18 Ge 0.66426304486292 0.90025944902694 0.74037482628034 72.640 > 10 19 Ge 0.83573695513708 0.59974055097306 0.25962517371966 72.640 > 11 20 Ge 0.16426304486292 0.59974055097306 0.24037482628034 72.640 > 12 21 Ge 0.83573695513708 0.40025944902694 0.75962517371966 72.640 > 9 22 Ge 0.16426304486292 0.40025944902694 0.74037482628034 72.640 > 10 23 Ge 0.33573695513708 0.09974055097306 0.25962517371966 72.640 > 11 24 Ge 0.66426304486292 0.09974055097306 0.24037482628034 72.640 > 12 *25 O 0.83955214119634 0.50265465691490 0.73405726934925 15.999 > 13 26 O 0.33955214119634 0.99734534308510 0.23405726934925 15.999 > 14 *27 O 0.60290889272316 0.87697677390845 0.47662060382640 15.999 > 15 28 O 0.16044785880366 0.50265465691490 0.76594273065075 15.999 > 16 *29 O 0.36448615861368 0.63674588991725 0.44445344573183 15.999 > 17 30 O 0.89709110727684 0.62302322609155 0.52337939617360 15.999 > 18 31 O 0.86448615861367 0.86325411008275 0.94445344573183 15.999 > 19 32 O 0.10290889272316 0.62302322609155 0.97662060382640 15.999 > 20 *33 O 0.00000000000000 0.64608242308320 0.25000000000000 15.999 > 21 34 O 0.66044785880366 0.99734534308510 0.26594273065075 15.999 > 22 35 O 0.63551384138633 0.63674588991725 0.05554655426817 15.999 > 23 36 O 0.50000000000000 0.85391757691680 0.75000000000000 15.999 > 24 37 O 0.13551384138632 0.86325411008275 0.55554655426817 15.999 > 25 38 O 0.39709110727684 0.87697677390845 0.02337939617360 15.999 > 26 39 O 0.33955214119634 0.00265465691490 0.73405726934925 15.999 > 13 40 O 0.83955214119634 0.49734534308510 0.23405726934925 15.999 > 14 41 O 0.10290889272316 0.37697677390845 0.47662060382640 15.999 > 15 42 O 0.66044785880366 0.00265465691490 0.76594273065075 15.999 > 16 43 O 0.86448615861367 0.13674588991725 0.44445344573183 15.999 > 17 44 O 0.39709110727684 0.12302322609155 0.52337939617360 15.999 > 18 45 O 0.36448615861368 0.36325411008275 0.94445344573183 15.999 > 19 46 O 0.60290889272316 0.12302322609155 0.97662060382640 15.999 > 20 47 O 0.50000000000000 0.14608242308320 0.25000000000000 15.999 > 21 48 O 0.16044785880366 0.49734534308510 0.26594273065075 15.999 > 22 49 O 0.13551384138632 0.13674588991725 0.05554655426817 15.999 > 23 50 O 0.00000000000000 0.35391757691680 0.75000000000000 15.999 > 24 51 O 0.63551384138633 0.36325411008275 0.55554655426817 15.999 > 25 52 O 0.89709110727684 0.37697677390845 0.02337939617360 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.610105500003263 0.000000000000000 0.000000000000000 b 0.000000000000000 17.172510599999999 0.000000000000000 c -9.164604215383395 0.000000000000000 12.236648912852081 Atomic positions (fractional): *1 Cs 0.71330621288250 0.69574109989859 0.36718347344662 132.905 > 1 2 Cs 0.71330621288250 0.69574109989859 0.86718347344662 132.905 > 1 *3 Cs 0.00000000000000 0.98845810420769 0.37500000000000 132.905 > 2 4 Cs 0.00000000000000 0.98845810420769 0.87500000000000 132.905 > 2 5 Cs 0.21330621288250 0.80425890010141 0.11718347344662 132.905 > 3 6 Cs 0.21330621288250 0.80425890010141 0.61718347344662 132.905 > 3 7 Cs 0.50000000000000 0.51154189579231 0.12500000000000 132.905 > 4 8 Cs 0.50000000000000 0.51154189579231 0.62500000000000 132.905 > 4 9 Cs 0.28669378711750 0.69574109989859 0.38281652655338 132.905 > 5 10 Cs 0.28669378711750 0.69574109989859 0.88281652655338 132.905 > 5 11 Cs 0.78669378711750 0.80425890010141 0.13281652655338 132.905 > 6 12 Cs 0.78669378711750 0.80425890010141 0.63281652655338 132.905 > 6 13 Cs 0.21330621288250 0.19574109989859 0.36718347344662 132.905 > 1 14 Cs 0.21330621288250 0.19574109989859 0.86718347344662 132.905 > 1 15 Cs 0.50000000000000 0.48845810420769 0.37500000000000 132.905 > 2 16 Cs 0.50000000000000 0.48845810420769 0.87500000000000 132.905 > 2 17 Cs 0.71330621288250 0.30425890010141 0.11718347344662 132.905 > 3 18 Cs 0.71330621288250 0.30425890010141 0.61718347344662 132.905 > 3 19 Cs 0.00000000000000 0.01154189579231 0.12500000000000 132.905 > 4 20 Cs 0.00000000000000 0.01154189579231 0.62500000000000 132.905 > 4 21 Cs 0.78669378711750 0.19574109989859 0.38281652655338 132.905 > 5 22 Cs 0.78669378711750 0.19574109989859 0.88281652655338 132.905 > 5 23 Cs 0.28669378711750 0.30425890010141 0.13281652655338 132.905 > 6 24 Cs 0.28669378711750 0.30425890010141 0.63281652655338 132.905 > 6 *25 Al 0.00000000000000 0.55907630555850 0.37500000000000 26.982 > 7 26 Al 0.00000000000000 0.55907630555850 0.87500000000000 26.982 > 7 27 Al 0.50000000000000 0.94092369444150 0.12500000000000 26.982 > 8 28 Al 0.50000000000000 0.94092369444150 0.62500000000000 26.982 > 8 29 Al 0.50000000000000 0.05907630555850 0.37500000000000 26.982 > 7 30 Al 0.50000000000000 0.05907630555850 0.87500000000000 26.982 > 7 31 Al 0.00000000000000 0.44092369444150 0.12500000000000 26.982 > 8 32 Al 0.00000000000000 0.44092369444150 0.62500000000000 26.982 > 8 *33 Ge 0.33573695513708 0.90025944902694 0.37981258685983 72.640 > 9 34 Ge 0.33573695513708 0.90025944902694 0.87981258685983 72.640 > 9 35 Ge 0.66426304486292 0.90025944902694 0.37018741314017 72.640 > 10 36 Ge 0.66426304486292 0.90025944902694 0.87018741314017 72.640 > 10 37 Ge 0.83573695513708 0.59974055097306 0.12981258685983 72.640 > 11 38 Ge 0.83573695513708 0.59974055097306 0.62981258685983 72.640 > 11 39 Ge 0.16426304486292 0.59974055097306 0.12018741314017 72.640 > 12 40 Ge 0.16426304486292 0.59974055097306 0.62018741314017 72.640 > 12 41 Ge 0.83573695513708 0.40025944902694 0.37981258685983 72.640 > 9 42 Ge 0.83573695513708 0.40025944902694 0.87981258685983 72.640 > 9 43 Ge 0.16426304486292 0.40025944902694 0.37018741314017 72.640 > 10 44 Ge 0.16426304486292 0.40025944902694 0.87018741314017 72.640 > 10 45 Ge 0.33573695513708 0.09974055097306 0.12981258685983 72.640 > 11 46 Ge 0.33573695513708 0.09974055097306 0.62981258685983 72.640 > 11 47 Ge 0.66426304486292 0.09974055097306 0.12018741314017 72.640 > 12 48 Ge 0.66426304486292 0.09974055097306 0.62018741314017 72.640 > 12 *49 O 0.83955214119634 0.50265465691490 0.36702863467462 15.999 > 13 50 O 0.83955214119634 0.50265465691490 0.86702863467462 15.999 > 13 51 O 0.33955214119634 0.99734534308510 0.11702863467462 15.999 > 14 52 O 0.33955214119634 0.99734534308510 0.61702863467462 15.999 > 14 *53 O 0.60290889272316 0.87697677390845 0.23831030191320 15.999 > 15 54 O 0.60290889272316 0.87697677390845 0.73831030191320 15.999 > 15 55 O 0.16044785880366 0.50265465691490 0.38297136532538 15.999 > 16 56 O 0.16044785880366 0.50265465691490 0.88297136532538 15.999 > 16 *57 O 0.36448615861368 0.63674588991725 0.22222672286592 15.999 > 17 58 O 0.36448615861368 0.63674588991725 0.72222672286592 15.999 > 17 59 O 0.89709110727684 0.62302322609155 0.26168969808680 15.999 > 18 60 O 0.89709110727684 0.62302322609155 0.76168969808680 15.999 > 18 61 O 0.86448615861367 0.86325411008275 0.47222672286592 15.999 > 19 62 O 0.86448615861367 0.86325411008275 0.97222672286592 15.999 > 19 63 O 0.10290889272316 0.62302322609155 0.48831030191320 15.999 > 20 64 O 0.10290889272316 0.62302322609155 0.98831030191320 15.999 > 20 *65 O 0.00000000000000 0.64608242308320 0.12500000000000 15.999 > 21 66 O 0.00000000000000 0.64608242308320 0.62500000000000 15.999 > 21 67 O 0.66044785880366 0.99734534308510 0.13297136532538 15.999 > 22 68 O 0.66044785880366 0.99734534308510 0.63297136532538 15.999 > 22 69 O 0.63551384138633 0.63674588991725 0.02777327713408 15.999 > 23 70 O 0.63551384138633 0.63674588991725 0.52777327713408 15.999 > 23 71 O 0.50000000000000 0.85391757691680 0.37500000000000 15.999 > 24 72 O 0.50000000000000 0.85391757691680 0.87500000000000 15.999 > 24 73 O 0.13551384138632 0.86325411008275 0.27777327713408 15.999 > 25 74 O 0.13551384138632 0.86325411008275 0.77777327713408 15.999 > 25 75 O 0.39709110727684 0.87697677390845 0.01168969808680 15.999 > 26 76 O 0.39709110727684 0.87697677390845 0.51168969808680 15.999 > 26 77 O 0.33955214119634 0.00265465691490 0.36702863467462 15.999 > 13 78 O 0.33955214119634 0.00265465691490 0.86702863467462 15.999 > 13 79 O 0.83955214119634 0.49734534308510 0.11702863467462 15.999 > 14 80 O 0.83955214119634 0.49734534308510 0.61702863467462 15.999 > 14 81 O 0.10290889272316 0.37697677390845 0.23831030191320 15.999 > 15 82 O 0.10290889272316 0.37697677390845 0.73831030191320 15.999 > 15 83 O 0.66044785880366 0.00265465691490 0.38297136532538 15.999 > 16 84 O 0.66044785880366 0.00265465691490 0.88297136532538 15.999 > 16 85 O 0.86448615861367 0.13674588991725 0.22222672286592 15.999 > 17 86 O 0.86448615861367 0.13674588991725 0.72222672286592 15.999 > 17 87 O 0.39709110727684 0.12302322609155 0.26168969808680 15.999 > 18 88 O 0.39709110727684 0.12302322609155 0.76168969808680 15.999 > 18 89 O 0.36448615861368 0.36325411008275 0.47222672286592 15.999 > 19 90 O 0.36448615861368 0.36325411008275 0.97222672286592 15.999 > 19 91 O 0.60290889272316 0.12302322609155 0.48831030191320 15.999 > 20 92 O 0.60290889272316 0.12302322609155 0.98831030191320 15.999 > 20 93 O 0.50000000000000 0.14608242308320 0.12500000000000 15.999 > 21 94 O 0.50000000000000 0.14608242308320 0.62500000000000 15.999 > 21 95 O 0.16044785880366 0.49734534308510 0.13297136532538 15.999 > 22 96 O 0.16044785880366 0.49734534308510 0.63297136532538 15.999 > 22 97 O 0.13551384138632 0.13674588991725 0.02777327713408 15.999 > 23 98 O 0.13551384138632 0.13674588991725 0.52777327713408 15.999 > 23 99 O 0.00000000000000 0.35391757691680 0.37500000000000 15.999 > 24 100 O 0.00000000000000 0.35391757691680 0.87500000000000 15.999 > 24 101 O 0.63551384138633 0.36325411008275 0.27777327713408 15.999 > 25 102 O 0.63551384138633 0.36325411008275 0.77777327713408 15.999 > 25 103 O 0.89709110727684 0.37697677390845 0.01168969808680 15.999 > 26 104 O 0.89709110727684 0.37697677390845 0.51168969808680 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9339418 0.0000000 0.0341670 0.0000000 2.8688537 0.0000000 0.0341672 0.0000000 2.9351610 -------------------------- Born effective charges -------------------------- 1 Cs 1.3592654 -0.0033677 0.1220691 0.0237697 1.3934877 0.0418144 0.1016885 0.0427515 1.3448509 2 Cs 1.3335421 0.0000000 0.1087709 -0.0000000 1.1750544 0.0000000 0.0867100 0.0000000 1.4161628 3 Cs 1.3592654 0.0033677 0.1220691 -0.0237697 1.3934877 -0.0418144 0.1016885 -0.0427515 1.3448509 4 Cs 1.3335421 0.0000000 0.1087709 -0.0000000 1.1750544 0.0000000 0.0867100 0.0000000 1.4161628 5 Cs 1.3592654 0.0033677 0.1220691 -0.0237697 1.3934877 -0.0418144 0.1016885 -0.0427515 1.3448509 6 Cs 1.3592654 -0.0033677 0.1220691 0.0237697 1.3934877 0.0418144 0.1016885 0.0427515 1.3448509 7 Al 2.3966716 0.0000000 -0.3615792 -0.0000000 2.4550450 0.0000000 -0.1010558 0.0000000 2.8476016 8 Al 2.3966716 0.0000000 -0.3615792 -0.0000000 2.4550450 0.0000000 -0.1010558 0.0000000 2.8476016 9 Ge 3.0776342 -0.1410776 -0.0289052 0.0683216 2.6535712 0.2197806 0.0087764 0.0460701 2.9726786 10 Ge 3.0776342 0.1410776 -0.0289052 -0.0683216 2.6535712 -0.2197806 0.0087764 -0.0460701 2.9726786 11 Ge 3.0776342 0.1410776 -0.0289052 -0.0683216 2.6535712 -0.2197806 0.0087764 -0.0460701 2.9726786 12 Ge 3.0776342 -0.1410776 -0.0289052 0.0683216 2.6535712 0.2197806 0.0087764 0.0460701 2.9726786 13 O -1.6878247 -0.3194448 -0.0470410 -0.4164071 -2.1321412 -0.0040007 -0.0529419 0.0699476 -1.3975412 14 O -1.6878247 0.3194448 -0.0470410 0.4164071 -2.1321412 0.0040007 -0.0529419 -0.0699476 -1.3975412 15 O -1.4728159 -0.0451089 0.4609915 0.0118982 -1.4220814 0.2052887 0.2938691 0.2054380 -2.5805016 16 O -1.6878247 0.3194448 -0.0470410 0.4164071 -2.1321412 0.0040007 -0.0529419 -0.0699476 -1.3975412 17 O -1.7002693 -0.0300827 -0.3680933 -0.0640652 -1.6262579 -0.2074854 -0.3469326 -0.2026759 -1.8548654 18 O -1.4728159 -0.0451089 0.4609915 0.0118982 -1.4220814 0.2052887 0.2938691 0.2054380 -2.5805016 19 O -1.7002693 0.0300827 -0.3680933 0.0640652 -1.6262579 0.2074854 -0.3469326 0.2026759 -1.8548654 20 O -1.4728159 0.0451089 0.4609915 -0.0118982 -1.4220814 -0.2052887 0.2938691 -0.2054380 -2.5805016 21 O -2.8821933 0.0000000 -0.0252336 -0.0000000 -1.3632563 0.0000000 0.0054269 0.0000000 -1.2330070 22 O -1.6878247 -0.3194448 -0.0470410 -0.4164071 -2.1321412 -0.0040007 -0.0529419 0.0699476 -1.3975412 23 O -1.7002693 0.0300827 -0.3680933 0.0640652 -1.6262579 0.2074854 -0.3469326 0.2026759 -1.8548654 24 O -2.8821933 0.0000000 -0.0252336 -0.0000000 -1.3632563 0.0000000 0.0054269 0.0000000 -1.2330070 25 O -1.7002693 -0.0300827 -0.3680933 -0.0640652 -1.6262579 -0.2074854 -0.3469326 -0.2026759 -1.8548654 26 O -1.4728159 0.0451089 0.4609915 -0.0118982 -1.4220814 -0.2052887 0.2938691 -0.2054380 -2.5805016 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 14514/14514 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 694 Use submatrix version of eigh solver. (1) Block: 500 / 694 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 694 / 694 (1) 183 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 658 / 658 (1) 149 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 658 / 658 (1) 149 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 386 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3109), data: False |-- (386, 378), data: True |-- (386, 378), data: True |-- (386, 378), data: True |-- (658, 648), data: False |-- (658, 9), data: (658, 19) @ (19, 9) |-- (158, 149), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (658, 648), data: False |-- (658, 9), data: (658, 19) @ (19, 9) |-- (158, 149), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (694, 679), data: False |-- (694, 11), data: (694, 26) @ (26, 11) |-- (194, 183), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 800 - Time: 0.865 Solver_block: 200 / 800 - Time: 0.795 Solver_block: 300 / 800 - Time: 0.800 Solver_block: 400 / 800 - Time: 0.783 Solver_block: 500 / 800 - Time: 0.787 Solver_block: 600 / 800 - Time: 0.779 Solver_block: 700 / 800 - Time: 0.780 Solver_block: 800 / 800 - Time: 0.794 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.515 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 14514/14514 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 694 Use submatrix version of eigh solver. (1) Block: 500 / 694 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 694 / 694 (1) 183 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 658 / 658 (1) 149 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 658 / 658 (1) 149 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 386 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3109), data: False |-- (386, 378), data: True |-- (386, 378), data: True |-- (386, 378), data: True |-- (658, 648), data: False |-- (658, 9), data: (658, 19) @ (19, 9) |-- (158, 149), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (658, 648), data: False |-- (658, 9), data: (658, 19) @ (19, 9) |-- (158, 149), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (694, 679), data: False |-- (694, 11), data: (694, 26) @ (26, 11) |-- (194, 183), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:02:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:02:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.805052750001631 -8.586255299999999 0.000000000000000 b 4.805052750001631 8.586255299999999 0.000000000000000 c -4.582302107691698 0.000000000000000 6.118324456426040 Atomic positions (fractional): 1 Cs 0.01756511298391 0.40904731278108 0.73436694689323 132.905 2 Cs 0.01154189579231 0.98845810420769 0.75000000000000 132.905 3 Cs 0.40904731278108 0.01756511298391 0.23436694689323 132.905 4 Cs 0.98845810420769 0.01154189579231 0.25000000000000 132.905 5 Cs 0.59095268721892 0.98243488701609 0.76563305310677 132.905 6 Cs 0.98243488701609 0.59095268721892 0.26563305310677 132.905 7 Al 0.44092369444150 0.55907630555850 0.75000000000000 26.982 8 Al 0.55907630555850 0.44092369444150 0.25000000000000 26.982 9 Ge 0.43547750611015 0.23599640416402 0.75962517371966 72.640 10 Ge 0.76400359583598 0.56452249388985 0.74037482628034 72.640 11 Ge 0.23599640416402 0.43547750611015 0.25962517371966 72.640 12 Ge 0.56452249388985 0.76400359583598 0.24037482628034 72.640 13 O 0.33689748428144 0.34220679811124 0.73405726934925 15.999 14 O 0.34220679811124 0.33689748428144 0.23405726934925 15.999 15 O 0.72593211881471 0.47988566663161 0.47662060382640 15.999 16 O 0.65779320188876 0.66310251571856 0.76594273065075 15.999 17 O 0.72774026869642 0.00123204853093 0.44445344573183 15.999 18 O 0.27406788118529 0.52011433336839 0.52337939617360 15.999 19 O 0.00123204853093 0.72774026869642 0.94445344573183 15.999 20 O 0.47988566663161 0.72593211881471 0.97662060382640 15.999 21 O 0.35391757691680 0.64608242308320 0.25000000000000 15.999 22 O 0.66310251571856 0.65779320188876 0.26594273065075 15.999 23 O 0.99876795146907 0.27225973130358 0.05554655426817 15.999 24 O 0.64608242308320 0.35391757691680 0.75000000000000 15.999 25 O 0.27225973130358 0.99876795146907 0.55554655426817 15.999 26 O 0.52011433336839 0.27406788118529 0.02337939617360 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.610105500003263 0.000000000000000 0.000000000000000 b 0.000000000000000 17.172510599999999 0.000000000000000 c -9.164604215383395 0.000000000000000 12.236648912852081 Atomic positions (fractional): 1 Cs 0.71330621288250 0.69574109989859 0.36718347344662 132.905 > 1 2 Cs 0.71330621288250 0.69574109989859 0.86718347344662 132.905 > 1 3 Cs 0.00000000000000 0.98845810420769 0.37500000000000 132.905 > 3 4 Cs 0.00000000000000 0.98845810420769 0.87500000000000 132.905 > 3 5 Cs 0.21330621288250 0.80425890010141 0.11718347344662 132.905 > 5 6 Cs 0.21330621288250 0.80425890010141 0.61718347344662 132.905 > 5 7 Cs 0.50000000000000 0.51154189579231 0.12500000000000 132.905 > 7 8 Cs 0.50000000000000 0.51154189579231 0.62500000000000 132.905 > 7 9 Cs 0.28669378711750 0.69574109989859 0.38281652655338 132.905 > 9 10 Cs 0.28669378711750 0.69574109989859 0.88281652655338 132.905 > 9 11 Cs 0.78669378711750 0.80425890010141 0.13281652655338 132.905 > 11 12 Cs 0.78669378711750 0.80425890010141 0.63281652655338 132.905 > 11 13 Cs 0.21330621288250 0.19574109989859 0.36718347344662 132.905 > 1 14 Cs 0.21330621288250 0.19574109989859 0.86718347344662 132.905 > 1 15 Cs 0.50000000000000 0.48845810420769 0.37500000000000 132.905 > 3 16 Cs 0.50000000000000 0.48845810420769 0.87500000000000 132.905 > 3 17 Cs 0.71330621288250 0.30425890010141 0.11718347344662 132.905 > 5 18 Cs 0.71330621288250 0.30425890010141 0.61718347344662 132.905 > 5 19 Cs 0.00000000000000 0.01154189579231 0.12500000000000 132.905 > 7 20 Cs 0.00000000000000 0.01154189579231 0.62500000000000 132.905 > 7 21 Cs 0.78669378711750 0.19574109989859 0.38281652655338 132.905 > 9 22 Cs 0.78669378711750 0.19574109989859 0.88281652655338 132.905 > 9 23 Cs 0.28669378711750 0.30425890010141 0.13281652655338 132.905 > 11 24 Cs 0.28669378711750 0.30425890010141 0.63281652655338 132.905 > 11 25 Al 0.00000000000000 0.55907630555850 0.37500000000000 26.982 > 25 26 Al 0.00000000000000 0.55907630555850 0.87500000000000 26.982 > 25 27 Al 0.50000000000000 0.94092369444150 0.12500000000000 26.982 > 27 28 Al 0.50000000000000 0.94092369444150 0.62500000000000 26.982 > 27 29 Al 0.50000000000000 0.05907630555850 0.37500000000000 26.982 > 25 30 Al 0.50000000000000 0.05907630555850 0.87500000000000 26.982 > 25 31 Al 0.00000000000000 0.44092369444150 0.12500000000000 26.982 > 27 32 Al 0.00000000000000 0.44092369444150 0.62500000000000 26.982 > 27 33 Ge 0.33573695513708 0.90025944902694 0.37981258685983 72.640 > 33 34 Ge 0.33573695513708 0.90025944902694 0.87981258685983 72.640 > 33 35 Ge 0.66426304486292 0.90025944902694 0.37018741314017 72.640 > 35 36 Ge 0.66426304486292 0.90025944902694 0.87018741314017 72.640 > 35 37 Ge 0.83573695513708 0.59974055097306 0.12981258685983 72.640 > 37 38 Ge 0.83573695513708 0.59974055097306 0.62981258685983 72.640 > 37 39 Ge 0.16426304486292 0.59974055097306 0.12018741314017 72.640 > 39 40 Ge 0.16426304486292 0.59974055097306 0.62018741314017 72.640 > 39 41 Ge 0.83573695513708 0.40025944902694 0.37981258685983 72.640 > 33 42 Ge 0.83573695513708 0.40025944902694 0.87981258685983 72.640 > 33 43 Ge 0.16426304486292 0.40025944902694 0.37018741314017 72.640 > 35 44 Ge 0.16426304486292 0.40025944902694 0.87018741314017 72.640 > 35 45 Ge 0.33573695513708 0.09974055097306 0.12981258685983 72.640 > 37 46 Ge 0.33573695513708 0.09974055097306 0.62981258685983 72.640 > 37 47 Ge 0.66426304486292 0.09974055097306 0.12018741314017 72.640 > 39 48 Ge 0.66426304486292 0.09974055097306 0.62018741314017 72.640 > 39 49 O 0.83955214119634 0.50265465691490 0.36702863467462 15.999 > 49 50 O 0.83955214119634 0.50265465691490 0.86702863467462 15.999 > 49 51 O 0.33955214119634 0.99734534308510 0.11702863467462 15.999 > 51 52 O 0.33955214119634 0.99734534308510 0.61702863467462 15.999 > 51 53 O 0.60290889272316 0.87697677390845 0.23831030191320 15.999 > 53 54 O 0.60290889272316 0.87697677390845 0.73831030191320 15.999 > 53 55 O 0.16044785880366 0.50265465691490 0.38297136532538 15.999 > 55 56 O 0.16044785880366 0.50265465691490 0.88297136532538 15.999 > 55 57 O 0.36448615861368 0.63674588991725 0.22222672286592 15.999 > 57 58 O 0.36448615861368 0.63674588991725 0.72222672286592 15.999 > 57 59 O 0.89709110727684 0.62302322609155 0.26168969808680 15.999 > 59 60 O 0.89709110727684 0.62302322609155 0.76168969808680 15.999 > 59 61 O 0.86448615861367 0.86325411008275 0.47222672286592 15.999 > 61 62 O 0.86448615861367 0.86325411008275 0.97222672286592 15.999 > 61 63 O 0.10290889272316 0.62302322609155 0.48831030191320 15.999 > 63 64 O 0.10290889272316 0.62302322609155 0.98831030191320 15.999 > 63 65 O 0.00000000000000 0.64608242308320 0.12500000000000 15.999 > 65 66 O 0.00000000000000 0.64608242308320 0.62500000000000 15.999 > 65 67 O 0.66044785880366 0.99734534308510 0.13297136532538 15.999 > 67 68 O 0.66044785880366 0.99734534308510 0.63297136532538 15.999 > 67 69 O 0.63551384138633 0.63674588991725 0.02777327713408 15.999 > 69 70 O 0.63551384138633 0.63674588991725 0.52777327713408 15.999 > 69 71 O 0.50000000000000 0.85391757691680 0.37500000000000 15.999 > 71 72 O 0.50000000000000 0.85391757691680 0.87500000000000 15.999 > 71 73 O 0.13551384138632 0.86325411008275 0.27777327713408 15.999 > 73 74 O 0.13551384138632 0.86325411008275 0.77777327713408 15.999 > 73 75 O 0.39709110727684 0.87697677390845 0.01168969808680 15.999 > 75 76 O 0.39709110727684 0.87697677390845 0.51168969808680 15.999 > 75 77 O 0.33955214119634 0.00265465691490 0.36702863467462 15.999 > 49 78 O 0.33955214119634 0.00265465691490 0.86702863467462 15.999 > 49 79 O 0.83955214119634 0.49734534308510 0.11702863467462 15.999 > 51 80 O 0.83955214119634 0.49734534308510 0.61702863467462 15.999 > 51 81 O 0.10290889272316 0.37697677390845 0.23831030191320 15.999 > 53 82 O 0.10290889272316 0.37697677390845 0.73831030191320 15.999 > 53 83 O 0.66044785880366 0.00265465691490 0.38297136532538 15.999 > 55 84 O 0.66044785880366 0.00265465691490 0.88297136532538 15.999 > 55 85 O 0.86448615861367 0.13674588991725 0.22222672286592 15.999 > 57 86 O 0.86448615861367 0.13674588991725 0.72222672286592 15.999 > 57 87 O 0.39709110727684 0.12302322609155 0.26168969808680 15.999 > 59 88 O 0.39709110727684 0.12302322609155 0.76168969808680 15.999 > 59 89 O 0.36448615861368 0.36325411008275 0.47222672286592 15.999 > 61 90 O 0.36448615861368 0.36325411008275 0.97222672286592 15.999 > 61 91 O 0.60290889272316 0.12302322609155 0.48831030191320 15.999 > 63 92 O 0.60290889272316 0.12302322609155 0.98831030191320 15.999 > 63 93 O 0.50000000000000 0.14608242308320 0.12500000000000 15.999 > 65 94 O 0.50000000000000 0.14608242308320 0.62500000000000 15.999 > 65 95 O 0.16044785880366 0.49734534308510 0.13297136532538 15.999 > 67 96 O 0.16044785880366 0.49734534308510 0.63297136532538 15.999 > 67 97 O 0.13551384138632 0.13674588991725 0.02777327713408 15.999 > 69 98 O 0.13551384138632 0.13674588991725 0.52777327713408 15.999 > 69 99 O 0.00000000000000 0.35391757691680 0.37500000000000 15.999 > 71 100 O 0.00000000000000 0.35391757691680 0.87500000000000 15.999 > 71 101 O 0.63551384138633 0.36325411008275 0.27777327713408 15.999 > 73 102 O 0.63551384138633 0.36325411008275 0.77777327713408 15.999 > 73 103 O 0.89709110727684 0.37697677390845 0.01168969808680 15.999 > 75 104 O 0.89709110727684 0.37697677390845 0.51168969808680 15.999 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9339418 0.0000000 0.0341670 0.0000000 2.8688537 0.0000000 0.0341672 0.0000000 2.9351610 -------------------------- Born effective charges -------------------------- 1 Cs 1.3592654 -0.0033677 0.1220691 0.0237697 1.3934877 0.0418144 0.1016885 0.0427515 1.3448509 2 Cs 1.3335421 0.0000000 0.1087709 -0.0000000 1.1750544 0.0000000 0.0867100 0.0000000 1.4161628 3 Cs 1.3592654 0.0033677 0.1220691 -0.0237697 1.3934877 -0.0418144 0.1016885 -0.0427515 1.3448509 4 Cs 1.3335421 0.0000000 0.1087709 -0.0000000 1.1750544 0.0000000 0.0867100 0.0000000 1.4161628 5 Cs 1.3592654 0.0033677 0.1220691 -0.0237697 1.3934877 -0.0418144 0.1016885 -0.0427515 1.3448509 6 Cs 1.3592654 -0.0033677 0.1220691 0.0237697 1.3934877 0.0418144 0.1016885 0.0427515 1.3448509 7 Al 2.3966716 0.0000000 -0.3615792 -0.0000000 2.4550450 0.0000000 -0.1010558 0.0000000 2.8476016 8 Al 2.3966716 0.0000000 -0.3615792 -0.0000000 2.4550450 0.0000000 -0.1010558 0.0000000 2.8476016 9 Ge 3.0776342 -0.1410776 -0.0289052 0.0683216 2.6535712 0.2197806 0.0087764 0.0460701 2.9726786 10 Ge 3.0776342 0.1410776 -0.0289052 -0.0683216 2.6535712 -0.2197806 0.0087764 -0.0460701 2.9726786 11 Ge 3.0776342 0.1410776 -0.0289052 -0.0683216 2.6535712 -0.2197806 0.0087764 -0.0460701 2.9726786 12 Ge 3.0776342 -0.1410776 -0.0289052 0.0683216 2.6535712 0.2197806 0.0087764 0.0460701 2.9726786 13 O -1.6878247 -0.3194448 -0.0470410 -0.4164071 -2.1321412 -0.0040007 -0.0529419 0.0699476 -1.3975412 14 O -1.6878247 0.3194448 -0.0470410 0.4164071 -2.1321412 0.0040007 -0.0529419 -0.0699476 -1.3975412 15 O -1.4728159 -0.0451089 0.4609915 0.0118982 -1.4220814 0.2052887 0.2938691 0.2054380 -2.5805016 16 O -1.6878247 0.3194448 -0.0470410 0.4164071 -2.1321412 0.0040007 -0.0529419 -0.0699476 -1.3975412 17 O -1.7002693 -0.0300827 -0.3680933 -0.0640652 -1.6262579 -0.2074854 -0.3469326 -0.2026759 -1.8548654 18 O -1.4728159 -0.0451089 0.4609915 0.0118982 -1.4220814 0.2052887 0.2938691 0.2054380 -2.5805016 19 O -1.7002693 0.0300827 -0.3680933 0.0640652 -1.6262579 0.2074854 -0.3469326 0.2026759 -1.8548654 20 O -1.4728159 0.0451089 0.4609915 -0.0118982 -1.4220814 -0.2052887 0.2938691 -0.2054380 -2.5805016 21 O -2.8821933 0.0000000 -0.0252336 -0.0000000 -1.3632563 0.0000000 0.0054269 0.0000000 -1.2330070 22 O -1.6878247 -0.3194448 -0.0470410 -0.4164071 -2.1321412 -0.0040007 -0.0529419 0.0699476 -1.3975412 23 O -1.7002693 0.0300827 -0.3680933 0.0640652 -1.6262579 0.2074854 -0.3469326 0.2026759 -1.8548654 24 O -2.8821933 0.0000000 -0.0252336 -0.0000000 -1.3632563 0.0000000 0.0054269 0.0000000 -1.2330070 25 O -1.7002693 -0.0300827 -0.3680933 -0.0640652 -1.6262579 -0.2074854 -0.3469326 -0.2026759 -1.8548654 26 O -1.4728159 0.0451089 0.4609915 -0.0118982 -1.4220814 -0.2052887 0.2938691 -0.2054380 -2.5805016 ---------------------------------------------------------------------------- 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 3, 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 53, 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 57, 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000019 (xyx) -0.00000019 (xyx) -0.00000019 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (zx) -0.00000003 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:03:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:03:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.805052750001631 -8.586255299999999 0.000000000000000 b 4.805052750001631 8.586255299999999 0.000000000000000 c -4.582302107691698 0.000000000000000 6.118324456426040 Atomic positions (fractional): 1 Cs 0.01756511298391 0.40904731278108 0.73436694689323 132.905 2 Cs 0.01154189579231 0.98845810420769 0.75000000000000 132.905 3 Cs 0.40904731278108 0.01756511298391 0.23436694689323 132.905 4 Cs 0.98845810420769 0.01154189579231 0.25000000000000 132.905 5 Cs 0.59095268721892 0.98243488701609 0.76563305310677 132.905 6 Cs 0.98243488701609 0.59095268721892 0.26563305310677 132.905 7 Al 0.44092369444150 0.55907630555850 0.75000000000000 26.982 8 Al 0.55907630555850 0.44092369444150 0.25000000000000 26.982 9 Ge 0.43547750611015 0.23599640416402 0.75962517371966 72.640 10 Ge 0.76400359583598 0.56452249388985 0.74037482628034 72.640 11 Ge 0.23599640416402 0.43547750611015 0.25962517371966 72.640 12 Ge 0.56452249388985 0.76400359583598 0.24037482628034 72.640 13 O 0.33689748428144 0.34220679811124 0.73405726934925 15.999 14 O 0.34220679811124 0.33689748428144 0.23405726934925 15.999 15 O 0.72593211881471 0.47988566663161 0.47662060382640 15.999 16 O 0.65779320188876 0.66310251571856 0.76594273065075 15.999 17 O 0.72774026869642 0.00123204853093 0.44445344573183 15.999 18 O 0.27406788118529 0.52011433336839 0.52337939617360 15.999 19 O 0.00123204853093 0.72774026869642 0.94445344573183 15.999 20 O 0.47988566663161 0.72593211881471 0.97662060382640 15.999 21 O 0.35391757691680 0.64608242308320 0.25000000000000 15.999 22 O 0.66310251571856 0.65779320188876 0.26594273065075 15.999 23 O 0.99876795146907 0.27225973130358 0.05554655426817 15.999 24 O 0.64608242308320 0.35391757691680 0.75000000000000 15.999 25 O 0.27225973130358 0.99876795146907 0.55554655426817 15.999 26 O 0.52011433336839 0.27406788118529 0.02337939617360 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.610105500003263 0.000000000000000 0.000000000000000 b 0.000000000000000 17.172510599999999 0.000000000000000 c -9.164604215383395 0.000000000000000 12.236648912852081 Atomic positions (fractional): 1 Cs 0.71330621288250 0.69574109989859 0.36718347344662 132.905 > 1 2 Cs 0.71330621288250 0.69574109989859 0.86718347344662 132.905 > 1 3 Cs 0.00000000000000 0.98845810420769 0.37500000000000 132.905 > 3 4 Cs 0.00000000000000 0.98845810420769 0.87500000000000 132.905 > 3 5 Cs 0.21330621288250 0.80425890010141 0.11718347344662 132.905 > 5 6 Cs 0.21330621288250 0.80425890010141 0.61718347344662 132.905 > 5 7 Cs 0.50000000000000 0.51154189579231 0.12500000000000 132.905 > 7 8 Cs 0.50000000000000 0.51154189579231 0.62500000000000 132.905 > 7 9 Cs 0.28669378711750 0.69574109989859 0.38281652655338 132.905 > 9 10 Cs 0.28669378711750 0.69574109989859 0.88281652655338 132.905 > 9 11 Cs 0.78669378711750 0.80425890010141 0.13281652655338 132.905 > 11 12 Cs 0.78669378711750 0.80425890010141 0.63281652655338 132.905 > 11 13 Cs 0.21330621288250 0.19574109989859 0.36718347344662 132.905 > 1 14 Cs 0.21330621288250 0.19574109989859 0.86718347344662 132.905 > 1 15 Cs 0.50000000000000 0.48845810420769 0.37500000000000 132.905 > 3 16 Cs 0.50000000000000 0.48845810420769 0.87500000000000 132.905 > 3 17 Cs 0.71330621288250 0.30425890010141 0.11718347344662 132.905 > 5 18 Cs 0.71330621288250 0.30425890010141 0.61718347344662 132.905 > 5 19 Cs 0.00000000000000 0.01154189579231 0.12500000000000 132.905 > 7 20 Cs 0.00000000000000 0.01154189579231 0.62500000000000 132.905 > 7 21 Cs 0.78669378711750 0.19574109989859 0.38281652655338 132.905 > 9 22 Cs 0.78669378711750 0.19574109989859 0.88281652655338 132.905 > 9 23 Cs 0.28669378711750 0.30425890010141 0.13281652655338 132.905 > 11 24 Cs 0.28669378711750 0.30425890010141 0.63281652655338 132.905 > 11 25 Al 0.00000000000000 0.55907630555850 0.37500000000000 26.982 > 25 26 Al 0.00000000000000 0.55907630555850 0.87500000000000 26.982 > 25 27 Al 0.50000000000000 0.94092369444150 0.12500000000000 26.982 > 27 28 Al 0.50000000000000 0.94092369444150 0.62500000000000 26.982 > 27 29 Al 0.50000000000000 0.05907630555850 0.37500000000000 26.982 > 25 30 Al 0.50000000000000 0.05907630555850 0.87500000000000 26.982 > 25 31 Al 0.00000000000000 0.44092369444150 0.12500000000000 26.982 > 27 32 Al 0.00000000000000 0.44092369444150 0.62500000000000 26.982 > 27 33 Ge 0.33573695513708 0.90025944902694 0.37981258685983 72.640 > 33 34 Ge 0.33573695513708 0.90025944902694 0.87981258685983 72.640 > 33 35 Ge 0.66426304486292 0.90025944902694 0.37018741314017 72.640 > 35 36 Ge 0.66426304486292 0.90025944902694 0.87018741314017 72.640 > 35 37 Ge 0.83573695513708 0.59974055097306 0.12981258685983 72.640 > 37 38 Ge 0.83573695513708 0.59974055097306 0.62981258685983 72.640 > 37 39 Ge 0.16426304486292 0.59974055097306 0.12018741314017 72.640 > 39 40 Ge 0.16426304486292 0.59974055097306 0.62018741314017 72.640 > 39 41 Ge 0.83573695513708 0.40025944902694 0.37981258685983 72.640 > 33 42 Ge 0.83573695513708 0.40025944902694 0.87981258685983 72.640 > 33 43 Ge 0.16426304486292 0.40025944902694 0.37018741314017 72.640 > 35 44 Ge 0.16426304486292 0.40025944902694 0.87018741314017 72.640 > 35 45 Ge 0.33573695513708 0.09974055097306 0.12981258685983 72.640 > 37 46 Ge 0.33573695513708 0.09974055097306 0.62981258685983 72.640 > 37 47 Ge 0.66426304486292 0.09974055097306 0.12018741314017 72.640 > 39 48 Ge 0.66426304486292 0.09974055097306 0.62018741314017 72.640 > 39 49 O 0.83955214119634 0.50265465691490 0.36702863467462 15.999 > 49 50 O 0.83955214119634 0.50265465691490 0.86702863467462 15.999 > 49 51 O 0.33955214119634 0.99734534308510 0.11702863467462 15.999 > 51 52 O 0.33955214119634 0.99734534308510 0.61702863467462 15.999 > 51 53 O 0.60290889272316 0.87697677390845 0.23831030191320 15.999 > 53 54 O 0.60290889272316 0.87697677390845 0.73831030191320 15.999 > 53 55 O 0.16044785880366 0.50265465691490 0.38297136532538 15.999 > 55 56 O 0.16044785880366 0.50265465691490 0.88297136532538 15.999 > 55 57 O 0.36448615861368 0.63674588991725 0.22222672286592 15.999 > 57 58 O 0.36448615861368 0.63674588991725 0.72222672286592 15.999 > 57 59 O 0.89709110727684 0.62302322609155 0.26168969808680 15.999 > 59 60 O 0.89709110727684 0.62302322609155 0.76168969808680 15.999 > 59 61 O 0.86448615861367 0.86325411008275 0.47222672286592 15.999 > 61 62 O 0.86448615861367 0.86325411008275 0.97222672286592 15.999 > 61 63 O 0.10290889272316 0.62302322609155 0.48831030191320 15.999 > 63 64 O 0.10290889272316 0.62302322609155 0.98831030191320 15.999 > 63 65 O 0.00000000000000 0.64608242308320 0.12500000000000 15.999 > 65 66 O 0.00000000000000 0.64608242308320 0.62500000000000 15.999 > 65 67 O 0.66044785880366 0.99734534308510 0.13297136532538 15.999 > 67 68 O 0.66044785880366 0.99734534308510 0.63297136532538 15.999 > 67 69 O 0.63551384138633 0.63674588991725 0.02777327713408 15.999 > 69 70 O 0.63551384138633 0.63674588991725 0.52777327713408 15.999 > 69 71 O 0.50000000000000 0.85391757691680 0.37500000000000 15.999 > 71 72 O 0.50000000000000 0.85391757691680 0.87500000000000 15.999 > 71 73 O 0.13551384138632 0.86325411008275 0.27777327713408 15.999 > 73 74 O 0.13551384138632 0.86325411008275 0.77777327713408 15.999 > 73 75 O 0.39709110727684 0.87697677390845 0.01168969808680 15.999 > 75 76 O 0.39709110727684 0.87697677390845 0.51168969808680 15.999 > 75 77 O 0.33955214119634 0.00265465691490 0.36702863467462 15.999 > 49 78 O 0.33955214119634 0.00265465691490 0.86702863467462 15.999 > 49 79 O 0.83955214119634 0.49734534308510 0.11702863467462 15.999 > 51 80 O 0.83955214119634 0.49734534308510 0.61702863467462 15.999 > 51 81 O 0.10290889272316 0.37697677390845 0.23831030191320 15.999 > 53 82 O 0.10290889272316 0.37697677390845 0.73831030191320 15.999 > 53 83 O 0.66044785880366 0.00265465691490 0.38297136532538 15.999 > 55 84 O 0.66044785880366 0.00265465691490 0.88297136532538 15.999 > 55 85 O 0.86448615861367 0.13674588991725 0.22222672286592 15.999 > 57 86 O 0.86448615861367 0.13674588991725 0.72222672286592 15.999 > 57 87 O 0.39709110727684 0.12302322609155 0.26168969808680 15.999 > 59 88 O 0.39709110727684 0.12302322609155 0.76168969808680 15.999 > 59 89 O 0.36448615861368 0.36325411008275 0.47222672286592 15.999 > 61 90 O 0.36448615861368 0.36325411008275 0.97222672286592 15.999 > 61 91 O 0.60290889272316 0.12302322609155 0.48831030191320 15.999 > 63 92 O 0.60290889272316 0.12302322609155 0.98831030191320 15.999 > 63 93 O 0.50000000000000 0.14608242308320 0.12500000000000 15.999 > 65 94 O 0.50000000000000 0.14608242308320 0.62500000000000 15.999 > 65 95 O 0.16044785880366 0.49734534308510 0.13297136532538 15.999 > 67 96 O 0.16044785880366 0.49734534308510 0.63297136532538 15.999 > 67 97 O 0.13551384138632 0.13674588991725 0.02777327713408 15.999 > 69 98 O 0.13551384138632 0.13674588991725 0.52777327713408 15.999 > 69 99 O 0.00000000000000 0.35391757691680 0.37500000000000 15.999 > 71 100 O 0.00000000000000 0.35391757691680 0.87500000000000 15.999 > 71 101 O 0.63551384138633 0.36325411008275 0.27777327713408 15.999 > 73 102 O 0.63551384138633 0.36325411008275 0.77777327713408 15.999 > 73 103 O 0.89709110727684 0.37697677390845 0.01168969808680 15.999 > 75 104 O 0.89709110727684 0.37697677390845 0.51168969808680 15.999 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9339418 0.0000000 0.0341670 0.0000000 2.8688537 0.0000000 0.0341672 0.0000000 2.9351610 -------------------------- Born effective charges -------------------------- 1 Cs 1.3592654 -0.0033677 0.1220691 0.0237697 1.3934877 0.0418144 0.1016885 0.0427515 1.3448509 2 Cs 1.3335421 0.0000000 0.1087709 -0.0000000 1.1750544 0.0000000 0.0867100 0.0000000 1.4161628 3 Cs 1.3592654 0.0033677 0.1220691 -0.0237697 1.3934877 -0.0418144 0.1016885 -0.0427515 1.3448509 4 Cs 1.3335421 0.0000000 0.1087709 -0.0000000 1.1750544 0.0000000 0.0867100 0.0000000 1.4161628 5 Cs 1.3592654 0.0033677 0.1220691 -0.0237697 1.3934877 -0.0418144 0.1016885 -0.0427515 1.3448509 6 Cs 1.3592654 -0.0033677 0.1220691 0.0237697 1.3934877 0.0418144 0.1016885 0.0427515 1.3448509 7 Al 2.3966716 0.0000000 -0.3615792 -0.0000000 2.4550450 0.0000000 -0.1010558 0.0000000 2.8476016 8 Al 2.3966716 0.0000000 -0.3615792 -0.0000000 2.4550450 0.0000000 -0.1010558 0.0000000 2.8476016 9 Ge 3.0776342 -0.1410776 -0.0289052 0.0683216 2.6535712 0.2197806 0.0087764 0.0460701 2.9726786 10 Ge 3.0776342 0.1410776 -0.0289052 -0.0683216 2.6535712 -0.2197806 0.0087764 -0.0460701 2.9726786 11 Ge 3.0776342 0.1410776 -0.0289052 -0.0683216 2.6535712 -0.2197806 0.0087764 -0.0460701 2.9726786 12 Ge 3.0776342 -0.1410776 -0.0289052 0.0683216 2.6535712 0.2197806 0.0087764 0.0460701 2.9726786 13 O -1.6878247 -0.3194448 -0.0470410 -0.4164071 -2.1321412 -0.0040007 -0.0529419 0.0699476 -1.3975412 14 O -1.6878247 0.3194448 -0.0470410 0.4164071 -2.1321412 0.0040007 -0.0529419 -0.0699476 -1.3975412 15 O -1.4728159 -0.0451089 0.4609915 0.0118982 -1.4220814 0.2052887 0.2938691 0.2054380 -2.5805016 16 O -1.6878247 0.3194448 -0.0470410 0.4164071 -2.1321412 0.0040007 -0.0529419 -0.0699476 -1.3975412 17 O -1.7002693 -0.0300827 -0.3680933 -0.0640652 -1.6262579 -0.2074854 -0.3469326 -0.2026759 -1.8548654 18 O -1.4728159 -0.0451089 0.4609915 0.0118982 -1.4220814 0.2052887 0.2938691 0.2054380 -2.5805016 19 O -1.7002693 0.0300827 -0.3680933 0.0640652 -1.6262579 0.2074854 -0.3469326 0.2026759 -1.8548654 20 O -1.4728159 0.0451089 0.4609915 -0.0118982 -1.4220814 -0.2052887 0.2938691 -0.2054380 -2.5805016 21 O -2.8821933 0.0000000 -0.0252336 -0.0000000 -1.3632563 0.0000000 0.0054269 0.0000000 -1.2330070 22 O -1.6878247 -0.3194448 -0.0470410 -0.4164071 -2.1321412 -0.0040007 -0.0529419 0.0699476 -1.3975412 23 O -1.7002693 0.0300827 -0.3680933 0.0640652 -1.6262579 0.2074854 -0.3469326 0.2026759 -1.8548654 24 O -2.8821933 0.0000000 -0.0252336 -0.0000000 -1.3632563 0.0000000 0.0054269 0.0000000 -1.2330070 25 O -1.7002693 -0.0300827 -0.3680933 -0.0640652 -1.6262579 -0.2074854 -0.3469326 -0.2026759 -1.8548654 26 O -1.4728159 0.0451089 0.4609915 -0.0118982 -1.4220814 -0.2052887 0.2938691 -0.2054380 -2.5805016 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000019 (xyx) -0.00000019 (xyx) -0.00000019 (xxy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 8 ] 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: 0.52, Number of G-points: 293, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 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 0.987 ( 0.000 0.000 0.000) 0.000 1.252 ( 0.000 0.000 0.000) 0.000 1.261 ( 0.000 0.000 0.000) 0.000 1.359 ( 0.000 0.000 0.000) 0.000 1.404 ( 0.000 0.000 0.000) 0.000 1.452 ( 0.000 0.000 0.000) 0.000 1.634 ( 0.000 0.000 0.000) 0.000 1.731 ( 0.000 0.000 0.000) 0.000 1.776 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 1.911 ( 0.000 0.000 0.000) 0.000 1.939 ( 0.000 0.000 0.000) 0.000 1.971 ( 0.000 0.000 0.000) 0.000 1.993 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 2.559 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.131 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 4.317 ( 0.000 0.000 0.000) 0.000 4.616 ( 0.000 0.000 0.000) 0.000 5.273 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 5.656 ( 0.000 0.000 0.000) 0.000 5.809 ( 0.000 0.000 0.000) 0.000 6.062 ( 0.000 0.000 0.000) 0.000 6.421 ( 0.000 0.000 0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 7.442 ( 0.000 0.000 0.000) 0.000 7.652 ( 0.000 0.000 0.000) 0.000 7.959 ( 0.000 0.000 0.000) 0.000 8.223 ( 0.000 0.000 0.000) 0.000 8.308 ( 0.000 0.000 0.000) 0.000 8.538 ( 0.000 0.000 0.000) 0.000 8.733 ( 0.000 0.000 0.000) 0.000 8.867 ( 0.000 0.000 0.000) 0.000 9.140 ( 0.000 0.000 0.000) 0.000 9.265 ( 0.000 0.000 0.000) 0.000 9.299 ( 0.000 0.000 0.000) 0.000 10.083 ( 0.000 0.000 0.000) 0.000 10.884 ( 0.000 0.000 0.000) 0.000 11.886 ( 0.000 0.000 0.000) 0.000 13.938 ( 0.000 0.000 0.000) 0.000 14.118 ( 0.000 0.000 0.000) 0.000 14.347 ( 0.000 0.000 0.000) 0.000 14.517 ( 0.000 0.000 0.000) 0.000 15.841 ( 0.000 0.000 0.000) 0.000 16.069 ( 0.000 0.000 0.000) 0.000 16.814 ( 0.000 0.000 0.000) 0.000 17.256 ( 0.000 0.000 0.000) 0.000 17.599 ( 0.000 0.000 0.000) 0.000 18.294 ( 0.000 0.000 0.000) 0.000 21.380 ( 0.000 0.000 0.000) 0.000 21.408 ( 0.000 0.000 0.000) 0.000 22.793 ( 0.000 0.000 0.000) 0.000 22.950 ( 0.000 0.000 0.000) 0.000 23.118 ( 0.000 0.000 0.000) 0.000 23.507 ( 0.000 0.000 0.000) 0.000 23.561 ( 0.000 0.000 0.000) 0.000 23.709 ( 0.000 0.000 0.000) 0.000 23.746 ( 0.000 0.000 0.000) 0.000 24.963 ( 0.000 0.000 0.000) 0.000 24.965 ( 0.000 0.000 0.000) 0.000 25.262 ( 0.000 0.000 0.000) 0.000 25.381 ( 0.000 0.000 0.000) 0.000 25.531 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( 9.822 -6.922 7.620) 14.228 0.346 ( 8.025 -3.881 16.889) 19.098 0.746 ( 27.123 -8.778 20.659) 35.206 1.091 ( 5.168 -4.549 5.972) 9.114 1.209 ( -2.389 -0.462 -2.102) 3.215 1.268 ( -0.143 0.887 -0.823) 1.218 1.337 ( -2.050 -4.130 0.009) 4.611 1.399 ( 1.359 2.973 0.425) 3.297 1.536 ( 5.595 -1.124 0.740) 5.755 1.651 ( 1.415 1.244 1.084) 2.173 1.719 ( -2.522 0.077 -2.049) 3.250 1.761 ( 0.573 1.137 -1.255) 1.788 1.806 ( -0.075 1.601 0.592) 1.708 1.852 ( -4.414 -1.232 -5.067) 6.832 1.906 ( -1.681 -3.548 -2.371) 4.587 2.004 ( 0.529 -1.326 3.055) 3.372 2.085 ( 4.314 -0.360 1.130) 4.474 2.175 ( -6.970 -0.713 -3.231) 7.715 2.333 ( 3.092 1.596 1.366) 3.738 2.469 ( 3.629 0.116 -0.922) 3.746 2.540 ( -0.448 -1.064 1.050) 1.560 2.573 ( 0.440 0.785 -0.017) 0.900 2.884 ( 3.463 0.522 -0.810) 3.595 3.085 ( -2.465 -2.548 -2.360) 4.259 3.133 ( 1.735 -0.489 -2.199) 2.843 3.557 ( -0.729 16.526 -2.665) 16.755 3.793 ( -1.620 -0.768 2.003) 2.688 3.860 ( 1.257 -1.149 0.093) 1.706 4.324 ( -0.203 1.478 2.642) 3.034 4.637 ( 1.162 0.360 1.777) 2.154 5.260 ( -1.628 -1.151 -1.003) 2.232 5.295 ( -1.541 0.181 -0.444) 1.613 5.546 ( -2.672 0.495 -2.574) 3.743 5.642 ( 1.878 -0.783 1.759) 2.690 5.657 ( -0.013 -0.450 0.278) 0.529 5.799 ( -3.253 -3.379 -2.999) 5.567 6.081 ( 2.175 -0.343 -0.569) 2.274 6.430 ( -0.438 0.798 1.679) 1.910 6.619 ( -8.805 -9.037 -1.115) 12.667 7.053 ( -8.121 3.269 1.911) 8.960 7.441 ( -0.870 -1.145 -0.640) 1.574 7.817 ( 6.784 2.847 2.341) 7.721 7.996 ( 0.334 -2.799 3.151) 4.228 8.349 ( 6.619 0.864 -1.628) 6.871 8.367 ( 20.010 0.746 -19.098) 27.671 8.540 ( 0.046 -0.725 -0.842) 1.112 8.718 ( 1.958 -0.208 -4.890) 5.271 8.834 ( -5.106 0.413 1.569) 5.358 9.122 ( -1.785 -0.022 -0.878) 1.989 9.294 ( 2.593 -0.589 1.061) 2.863 9.744 ( -10.570 16.493 27.634) 33.873 10.104 ( 1.165 -1.558 0.823) 2.112 10.848 ( -3.239 0.044 -2.239) 3.938 11.910 ( 1.806 0.219 1.789) 2.551 13.939 ( -1.055 -0.976 -0.416) 1.496 14.115 ( 0.095 -0.053 -0.516) 0.527 14.311 ( -2.512 1.551 -1.117) 3.157 14.659 ( -8.257 -26.343 -5.571) 28.163 15.848 ( 0.455 -0.342 0.291) 0.640 16.123 ( 3.548 0.845 -4.071) 5.465 16.824 ( -1.097 -3.059 -0.907) 3.374 17.597 ( 0.072 2.983 1.851) 3.512 17.665 ( 9.662 8.249 -6.518) 14.278 18.267 ( -0.831 0.409 -3.322) 3.448 21.389 ( 0.695 -0.163 0.562) 0.908 21.540 ( 18.090 4.106 -21.872) 28.679 22.813 ( 0.605 -0.546 2.267) 2.409 23.114 ( 1.924 3.500 1.829) 4.393 23.475 ( -4.940 0.639 3.045) 5.838 23.567 ( -2.074 -0.202 3.641) 4.195 23.681 ( -2.680 4.824 3.153) 6.356 23.752 ( 0.552 0.437 0.593) 0.920 23.775 ( -2.290 13.111 13.279) 18.800 24.964 ( -0.958 -0.326 0.568) 1.160 24.982 ( 1.170 -0.607 0.564) 1.433 25.280 ( 1.698 -0.080 0.764) 1.864 25.495 ( 2.208 4.808 2.252) 5.751 26.128 ( -13.111 -13.660 1.893) 19.028 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 11.260 -2.174 7.777) 13.856 0.674 ( 7.205 -4.405 15.442) 17.600 1.124 ( -2.881 -3.733 -1.644) 4.994 1.205 ( -2.963 1.162 1.101) 3.368 1.277 ( 5.336 -1.273 5.545) 7.800 1.345 ( 1.765 -4.401 -0.320) 4.753 1.410 ( 2.613 0.156 0.639) 2.695 1.443 ( 15.289 -5.772 11.114) 19.763 1.563 ( -0.967 2.326 -2.115) 3.289 1.643 ( -1.230 -0.809 -0.678) 1.621 1.662 ( 2.138 0.157 -1.041) 2.383 1.768 ( -1.585 0.753 -2.401) 2.974 1.771 ( 0.368 -0.318 1.448) 1.527 1.838 ( 2.437 -1.613 0.409) 2.951 1.883 ( -1.347 -2.441 -1.479) 3.156 2.012 ( -4.954 0.854 -1.795) 5.338 2.066 ( -0.917 -1.992 1.222) 2.511 2.163 ( 2.955 -1.327 0.132) 3.242 2.388 ( 2.958 2.655 1.756) 4.345 2.461 ( 1.567 3.702 -1.098) 4.167 2.554 ( 2.411 1.253 -1.584) 3.145 2.603 ( 2.767 0.981 0.872) 3.062 2.926 ( 4.525 1.445 -1.911) 5.120 3.036 ( -2.977 -2.295 -2.198) 4.354 3.141 ( 1.803 -1.295 -2.429) 3.291 3.321 ( -6.780 8.106 -9.531) 14.231 3.809 ( -0.675 -0.066 2.976) 3.052 3.888 ( 1.207 -0.237 0.371) 1.285 4.341 ( 0.017 1.690 2.686) 3.174 4.668 ( 0.580 0.406 1.588) 1.738 5.226 ( -2.996 -1.358 -0.309) 3.304 5.264 ( -0.911 -0.004 -1.310) 1.595 5.449 ( -2.863 1.486 -5.098) 6.032 5.658 ( -0.313 -0.312 0.640) 0.777 5.712 ( -0.793 -1.271 4.478) 4.722 5.754 ( 1.498 -0.724 -3.096) 3.515 6.115 ( 3.297 -0.527 -1.591) 3.698 6.438 ( -0.265 0.103 0.417) 0.505 6.551 ( -6.161 -4.591 1.098) 7.761 6.899 ( -9.801 5.138 1.749) 11.204 7.428 ( -0.575 -0.458 -0.756) 1.054 7.941 ( 6.524 2.301 4.313) 8.152 8.068 ( 1.130 -3.342 3.120) 4.710 8.438 ( 6.231 0.532 0.717) 6.295 8.465 ( 8.561 -0.395 -2.714) 8.989 8.515 ( -1.441 0.251 -2.454) 2.857 8.700 ( 4.793 -0.912 -7.849) 9.241 8.760 ( -7.403 0.156 3.169) 8.054 9.074 ( -2.560 0.031 -1.407) 2.921 9.363 ( 3.395 -1.295 1.031) 3.777 9.754 ( -2.919 6.469 9.207) 11.625 10.154 ( 1.812 -1.970 0.987) 2.853 10.758 ( -3.961 0.599 -2.798) 4.886 11.962 ( 2.076 0.264 2.119) 2.979 13.924 ( -0.946 -0.191 -0.295) 1.010 14.111 ( 0.069 -0.062 -0.619) 0.626 14.245 ( -2.332 1.572 -1.162) 3.043 14.691 ( -3.355 -12.613 -2.589) 13.306 15.863 ( 0.581 -0.440 0.376) 0.820 16.124 ( 1.498 0.279 -1.767) 2.333 16.822 ( -0.694 -1.961 -0.728) 2.204 17.597 ( -0.283 3.512 3.521) 4.981 17.667 ( 3.439 3.268 -2.357) 5.297 18.200 ( -1.158 0.409 -4.540) 4.703 21.413 ( 0.936 -0.432 0.952) 1.403 21.528 ( 6.624 1.971 -8.746) 11.147 22.865 ( 0.873 -1.049 3.410) 3.673 23.141 ( 2.598 2.237 1.144) 3.614 23.412 ( -3.141 0.689 -2.092) 3.836 23.582 ( -1.706 -0.225 3.599) 3.990 23.636 ( -1.988 3.236 1.438) 4.061 23.762 ( 0.606 1.897 0.786) 2.141 23.777 ( 0.300 2.520 1.940) 3.195 24.957 ( -1.061 0.071 0.775) 1.316 25.017 ( 1.549 -0.386 0.833) 1.801 25.324 ( 2.539 0.113 1.175) 2.800 25.516 ( 0.559 -0.455 0.791) 1.070 26.052 ( -7.122 -3.689 -0.706) 8.052 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 5.440 0.761 3.742) 6.647 0.964 ( 4.892 -4.757 11.388) 13.276 1.095 ( -1.385 -2.145 -2.680) 3.702 1.150 ( -0.768 1.993 1.594) 2.665 1.274 ( -3.058 2.594 -7.277) 8.309 1.407 ( -0.147 -0.593 0.500) 0.789 1.432 ( 0.207 -1.137 4.951) 5.084 1.480 ( 1.720 -0.795 -4.319) 4.716 1.612 ( -0.674 -1.998 -0.290) 2.129 1.641 ( 0.240 2.311 -0.201) 2.332 1.720 ( -0.754 0.289 -0.953) 1.249 1.776 ( 0.285 -1.163 0.398) 1.262 1.823 ( 0.564 0.404 -0.896) 1.133 1.864 ( 0.837 -3.095 1.436) 3.513 1.928 ( -0.111 0.771 0.630) 1.002 1.955 ( 1.510 -1.077 3.599) 4.049 2.148 ( 3.425 -6.821 5.027) 9.139 2.210 ( 1.386 -0.829 0.434) 1.672 2.370 ( 2.366 5.152 -3.598) 6.715 2.490 ( 1.494 4.520 5.127) 6.996 2.544 ( 1.463 -0.072 -4.546) 4.776 2.634 ( 1.259 0.615 0.350) 1.445 2.943 ( 1.541 0.926 -0.782) 1.961 2.997 ( -0.998 -0.815 -1.344) 1.862 3.063 ( -6.423 2.021 -6.672) 9.479 3.153 ( 0.605 -0.512 -0.720) 1.071 3.830 ( -0.069 -0.023 1.308) 1.310 3.905 ( 0.460 0.087 0.237) 0.525 4.352 ( 0.004 0.741 0.977) 1.227 4.682 ( 0.062 0.129 0.630) 0.646 5.199 ( -1.643 -0.739 0.365) 1.838 5.245 ( -0.044 -0.063 -0.766) 0.770 5.354 ( -1.282 0.951 -2.932) 3.339 5.663 ( -0.099 -0.177 0.290) 0.354 5.706 ( -1.748 -0.340 0.872) 1.983 5.804 ( 2.693 -0.319 0.283) 2.726 6.142 ( 1.477 -0.218 -0.840) 1.713 6.415 ( -1.615 -0.061 -0.275) 1.639 6.574 ( 1.045 -4.184 1.717) 4.642 6.739 ( -6.316 4.851 0.118) 7.965 7.418 ( -0.179 -0.126 -0.358) 0.419 8.031 ( 2.266 1.107 1.745) 3.067 8.154 ( 2.001 -1.985 2.594) 3.831 8.441 ( -1.827 0.832 -2.714) 3.375 8.516 ( -1.803 0.008 5.346) 5.642 8.559 ( 9.808 0.119 -5.072) 11.042 8.671 ( -4.833 0.140 0.643) 4.878 8.720 ( 1.092 -0.951 -1.622) 2.174 9.029 ( -1.297 0.025 -0.739) 1.493 9.420 ( 1.549 -0.752 0.390) 1.765 9.755 ( -0.718 1.971 2.368) 3.163 10.197 ( 0.885 -0.883 0.427) 1.321 10.682 ( -1.819 0.343 -1.288) 2.255 12.002 ( 0.872 0.116 0.911) 1.267 13.912 ( -0.400 -0.006 -0.121) 0.418 14.106 ( -0.006 -0.020 -0.262) 0.263 14.201 ( -0.849 0.610 -0.476) 1.149 14.708 ( -1.107 -4.139 -0.874) 4.373 15.876 ( 0.264 -0.201 0.173) 0.374 16.124 ( 0.461 0.068 -0.560) 0.729 16.820 ( -0.282 -0.752 -0.309) 0.860 17.611 ( -0.317 1.365 3.043) 3.350 17.657 ( 1.123 1.253 -1.888) 2.529 18.144 ( -0.553 0.105 -2.185) 2.257 21.439 ( 0.419 -0.388 0.734) 0.930 21.513 ( 1.836 0.814 -2.874) 3.506 22.916 ( 0.438 -0.706 1.848) 2.026 23.174 ( 1.824 1.176 0.867) 2.337 23.341 ( -1.957 0.216 -1.945) 2.768 23.596 ( -0.591 0.052 1.634) 1.738 23.607 ( -0.736 0.842 0.273) 1.151 23.756 ( 0.290 1.184 -0.060) 1.220 23.785 ( 0.304 0.100 0.240) 0.400 24.951 ( -0.478 0.078 0.358) 0.602 25.044 ( 0.690 -0.142 0.373) 0.797 25.367 ( 1.401 0.195 0.670) 1.565 25.532 ( -0.049 -0.922 0.120) 0.931 25.984 ( -2.639 -0.556 -0.594) 2.762 ======================= Grid point 8 (5/116) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 16.266 -0.000 10.300) 19.253 0.635 ( 7.958 -0.000 15.025) 17.002 1.077 ( -2.463 0.000 -2.401) 3.439 1.216 ( 0.305 -0.000 7.081) 7.087 1.291 ( 2.798 -0.000 -1.062) 2.992 1.302 ( 4.399 -0.000 0.006) 4.399 1.340 ( 16.170 -0.000 12.881) 20.673 1.442 ( 2.703 -0.000 1.578) 3.130 1.599 ( -1.265 0.000 -0.680) 1.436 1.631 ( -1.251 0.000 -2.646) 2.927 1.662 ( -0.154 0.000 -5.688) 5.690 1.749 ( -1.480 0.000 1.980) 2.472 1.787 ( 0.418 -0.000 1.522) 1.578 1.834 ( 2.452 -0.000 -2.078) 3.214 1.852 ( 0.284 -0.000 -0.238) 0.370 2.027 ( -6.485 0.000 -2.730) 7.037 2.040 ( 0.126 -0.000 3.231) 3.234 2.152 ( 3.294 -0.000 0.609) 3.350 2.407 ( 3.127 -0.000 0.089) 3.128 2.495 ( 1.069 -0.000 0.595) 1.224 2.584 ( 3.004 -0.000 -2.502) 3.909 2.591 ( 1.584 -0.000 1.856) 2.440 2.939 ( 4.822 -0.000 -1.837) 5.160 3.007 ( -1.910 0.000 -2.393) 3.062 3.132 ( 1.982 -0.000 -2.569) 3.245 3.408 ( -10.070 0.000 -12.144) 15.776 3.808 ( -1.197 0.000 3.818) 4.001 3.882 ( 1.829 -0.000 0.303) 1.854 4.356 ( -0.807 0.000 3.021) 3.127 4.672 ( -0.145 0.000 2.358) 2.363 5.209 ( -2.784 0.000 -0.360) 2.807 5.263 ( -1.494 0.000 -0.920) 1.755 5.462 ( -1.532 0.000 -6.827) 6.997 5.655 ( -0.425 0.000 0.792) 0.899 5.699 ( -1.166 0.000 5.651) 5.770 5.748 ( 2.362 -0.000 -2.707) 3.593 6.111 ( 3.655 -0.000 -1.824) 4.085 6.446 ( -0.108 0.000 1.485) 1.489 6.501 ( -5.223 0.000 0.407) 5.239 6.949 ( -9.893 0.000 1.527) 10.010 7.423 ( -0.590 0.000 -0.248) 0.640 7.975 ( 6.967 -0.000 4.996) 8.573 8.021 ( 1.430 -0.000 1.043) 1.771 8.446 ( -1.059 0.000 10.037) 10.092 8.454 ( 13.438 -0.000 -9.252) 16.315 8.523 ( 1.500 -0.000 -4.817) 5.045 8.691 ( 4.365 -0.000 -7.704) 8.854 8.762 ( -7.523 0.000 2.710) 7.996 9.074 ( -2.664 0.000 -1.262) 2.948 9.351 ( 3.403 -0.000 0.950) 3.534 9.823 ( -7.753 0.000 9.212) 12.041 10.137 ( 2.636 -0.000 0.899) 2.785 10.762 ( -3.762 0.000 -3.096) 4.873 11.964 ( 2.012 -0.000 1.988) 2.828 13.921 ( -0.803 0.000 -0.067) 0.806 14.110 ( 0.111 -0.000 -0.609) 0.619 14.271 ( -2.181 0.000 -2.545) 3.352 14.555 ( 2.352 -0.000 1.495) 2.787 15.860 ( 0.606 -0.000 0.530) 0.805 16.126 ( 1.764 -0.000 -2.494) 3.054 16.804 ( 0.121 -0.000 -0.550) 0.563 17.626 ( -0.411 0.000 2.145) 2.184 17.700 ( 2.140 -0.000 -3.867) 4.420 18.206 ( -2.359 0.000 -3.209) 3.983 21.409 ( 0.779 -0.000 1.100) 1.348 21.547 ( 7.171 -0.000 -11.087) 13.204 22.856 ( 0.911 -0.000 3.500) 3.617 23.162 ( 2.957 -0.000 -0.266) 2.969 23.414 ( -2.330 0.000 -4.310) 4.899 23.577 ( -2.542 0.000 4.420) 5.099 23.663 ( -2.032 0.000 -0.330) 2.058 23.766 ( 0.705 -0.000 0.409) 0.815 23.834 ( -5.816 0.000 4.921) 7.619 24.957 ( -0.931 0.000 0.785) 1.218 25.014 ( 1.830 -0.000 0.734) 1.971 25.322 ( 2.573 -0.000 0.330) 2.594 25.526 ( 0.484 -0.000 1.395) 1.476 26.003 ( -5.747 0.000 1.756) 6.009 ======================= Grid point 9 (6/116) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 11.695 8.606 6.373) 15.857 0.910 ( 5.520 -1.073 11.526) 12.825 1.025 ( 2.498 -5.817 -0.977) 6.405 1.208 ( -1.943 3.258 0.755) 3.868 1.310 ( 0.873 -0.102 -3.816) 3.916 1.382 ( -1.933 2.585 -2.794) 4.269 1.443 ( 1.291 -0.173 0.906) 1.587 1.476 ( 4.504 -0.084 -2.652) 5.228 1.523 ( -3.692 -7.524 -5.439) 9.991 1.651 ( 2.070 0.508 0.004) 2.132 1.715 ( 0.538 -1.066 2.175) 2.481 1.774 ( -0.171 1.235 -0.920) 1.550 1.820 ( 2.777 -1.378 4.207) 5.225 1.831 ( -0.370 -0.452 -0.359) 0.686 1.924 ( 3.230 -1.189 5.340) 6.353 1.954 ( -0.268 0.816 -0.065) 0.861 2.084 ( 0.100 -0.915 5.011) 5.095 2.202 ( 2.639 -0.166 0.398) 2.674 2.382 ( -0.619 -1.443 -6.371) 6.562 2.547 ( -0.358 1.455 6.280) 6.456 2.587 ( 2.653 3.894 -3.062) 5.619 2.632 ( 2.312 -1.182 -1.720) 3.114 2.959 ( 1.324 0.956 -2.037) 2.611 2.984 ( 0.379 -0.719 -1.358) 1.583 3.103 ( -10.084 2.095 -6.717) 12.296 3.138 ( 0.509 -1.008 -1.832) 2.152 3.829 ( -1.380 -0.092 2.910) 3.222 3.904 ( 1.065 -0.083 -0.570) 1.211 4.362 ( -1.405 0.415 1.338) 1.984 4.685 ( -0.849 0.171 1.606) 1.825 5.181 ( -2.664 -0.943 2.211) 3.588 5.241 ( -0.173 -0.285 -0.890) 0.950 5.371 ( 1.121 0.730 -7.133) 7.257 5.660 ( -0.354 -0.073 1.004) 1.067 5.707 ( -2.134 0.202 3.045) 3.724 5.800 ( 3.322 -0.154 0.113) 3.328 6.141 ( 2.569 -0.009 -1.506) 2.978 6.434 ( -0.670 2.374 0.333) 2.489 6.494 ( 0.470 -4.617 1.181) 4.788 6.810 ( -7.288 2.656 -0.687) 7.787 7.416 ( -0.558 -0.104 0.479) 0.743 8.035 ( 0.709 -0.305 -1.345) 1.551 8.132 ( 5.247 -0.559 4.205) 6.747 8.460 ( -2.096 1.018 -2.784) 3.631 8.516 ( -2.978 0.010 7.129) 7.726 8.560 ( 10.555 -0.004 -5.940) 12.111 8.676 ( -4.672 0.612 1.055) 4.829 8.696 ( 0.704 -1.543 -1.241) 2.101 9.029 ( -1.642 -0.023 -0.400) 1.690 9.404 ( 1.857 -0.738 0.611) 2.090 9.792 ( -3.794 1.656 2.510) 4.841 10.189 ( 2.666 -0.192 0.409) 2.704 10.687 ( -1.633 0.155 -2.195) 2.740 12.002 ( 0.686 -0.078 0.732) 1.006 13.911 ( -0.509 -0.052 0.088) 0.519 14.106 ( 0.070 0.028 -0.286) 0.296 14.213 ( -1.033 0.580 -2.058) 2.375 14.646 ( 4.245 -2.496 2.579) 5.559 15.874 ( 0.318 -0.091 0.549) 0.641 16.124 ( 0.973 -0.015 -1.525) 1.809 16.808 ( 0.829 -0.502 -0.360) 1.034 17.633 ( -1.329 0.931 2.174) 2.713 17.672 ( 0.193 0.495 -3.940) 3.976 18.145 ( -2.387 0.063 -0.271) 2.403 21.433 ( 0.157 -0.217 1.471) 1.495 21.524 ( 2.096 0.442 -4.711) 5.175 22.907 ( 0.624 -0.298 2.838) 2.921 23.202 ( 2.975 1.591 0.009) 3.374 23.322 ( -2.041 -1.567 -6.223) 6.734 23.582 ( -2.057 -0.504 1.834) 2.801 23.634 ( -1.461 0.959 1.159) 2.097 23.777 ( -0.089 0.549 0.411) 0.692 23.792 ( -2.451 0.829 0.777) 2.701 24.952 ( -0.651 0.033 0.487) 0.814 25.043 ( 1.218 -0.054 0.027) 1.219 25.348 ( 0.719 -1.173 -1.069) 1.742 25.580 ( 4.227 3.983 4.127) 7.125 25.937 ( -4.885 -3.430 -1.212) 6.091 ======================= Grid point 10 (7/116) ======================= q-point: (-0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -0.859 7.625 -3.585) 8.470 1.048 ( -3.324 3.652 -4.483) 6.670 1.113 ( 5.602 4.624 -0.863) 7.315 1.176 ( -0.274 2.961 -1.933) 3.547 1.236 ( 2.635 -1.903 5.659) 6.526 1.356 ( -0.528 -4.098 -1.109) 4.278 1.485 ( 1.677 -2.511 1.249) 3.268 1.493 ( 3.755 0.277 -5.141) 6.372 1.549 ( 2.179 -1.656 0.218) 2.746 1.652 ( -0.068 2.462 -0.708) 2.563 1.720 ( -0.111 -0.069 0.440) 0.459 1.776 ( 1.650 -1.402 -0.263) 2.181 1.811 ( -2.113 -0.654 2.215) 3.130 1.899 ( 2.577 0.386 1.483) 2.998 1.950 ( -0.602 2.938 0.538) 3.047 1.962 ( -0.962 0.009 -2.539) 2.715 2.197 ( 1.668 -4.586 3.400) 5.947 2.237 ( 0.476 0.111 3.290) 3.327 2.278 ( -8.235 -0.682 -6.720) 10.651 2.448 ( -4.673 1.361 -9.206) 10.413 2.559 ( -3.774 0.311 2.718) 4.661 2.621 ( -2.554 -0.626 0.403) 2.660 2.930 ( -2.526 -0.538 -0.407) 2.615 2.997 ( 3.429 -0.920 -0.137) 3.553 3.059 ( 2.542 1.512 8.277) 8.790 3.149 ( 0.407 -1.043 -0.085) 1.123 3.829 ( -1.666 -0.135 1.044) 1.971 3.902 ( 0.071 -0.232 -1.470) 1.490 4.342 ( -1.681 -0.378 -0.648) 1.841 4.682 ( -1.001 0.089 0.429) 1.092 5.196 ( -1.245 -0.933 4.006) 4.297 5.243 ( 0.878 -0.192 -0.221) 0.925 5.347 ( 4.424 0.029 -3.423) 5.593 5.666 ( -0.235 0.151 0.659) 0.716 5.718 ( 1.059 0.886 1.356) 1.935 5.809 ( -1.849 0.234 -0.595) 1.957 6.147 ( -0.456 0.341 0.087) 0.576 6.435 ( 2.527 2.347 0.561) 3.494 6.578 ( 2.710 -4.224 0.051) 5.019 6.709 ( 1.534 1.615 -2.912) 3.666 7.419 ( -0.334 0.032 1.304) 1.346 8.003 ( -2.343 -1.767 -3.901) 4.882 8.185 ( -0.195 1.468 -2.258) 2.701 8.437 ( 1.304 0.226 2.812) 3.108 8.519 ( 0.963 0.423 -3.820) 3.962 8.555 ( -8.927 -0.330 3.231) 9.500 8.673 ( 4.669 0.581 -0.130) 4.707 8.721 ( -1.458 -0.793 3.375) 3.761 9.028 ( 0.864 -0.092 1.190) 1.474 9.422 ( -0.954 -0.453 0.109) 1.061 9.741 ( -2.449 0.098 -2.161) 3.267 10.216 ( 1.117 1.109 -0.312) 1.605 10.677 ( 1.990 -0.244 0.096) 2.007 11.998 ( -1.140 -0.338 -1.128) 1.639 13.911 ( 0.168 -0.077 0.322) 0.372 14.107 ( 0.137 0.085 0.252) 0.299 14.195 ( 1.227 -0.113 -0.832) 1.487 14.764 ( 6.272 2.288 4.034) 7.800 15.880 ( -0.196 0.159 0.307) 0.398 16.122 ( 0.220 -0.152 -0.617) 0.672 16.828 ( 1.779 0.176 0.132) 1.793 17.596 ( -1.301 -0.369 -5.409) 5.576 17.636 ( -2.371 -1.082 0.977) 2.783 18.142 ( -1.175 -0.088 4.406) 4.561 21.443 ( -0.900 0.121 0.868) 1.256 21.502 ( -1.317 -0.389 0.034) 1.374 22.928 ( -0.153 0.582 -0.137) 0.618 23.171 ( -1.661 0.831 -4.574) 4.936 23.307 ( 2.557 -3.304 -1.022) 4.300 23.569 ( -1.432 -1.239 -0.293) 1.916 23.627 ( -0.120 1.248 0.589) 1.385 23.750 ( -2.282 0.227 0.643) 2.382 23.784 ( -0.455 -0.096 0.042) 0.467 24.949 ( 0.131 -0.074 -0.174) 0.229 25.047 ( -0.044 0.136 -0.801) 0.813 25.341 ( -1.132 -1.734 -1.543) 2.583 25.625 ( 2.362 8.921 2.351) 9.523 25.936 ( 1.311 -6.261 0.625) 6.427 ======================= Grid point 11 (8/116) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -4.288 10.827 -4.888) 12.629 0.771 ( -6.139 6.946 -14.762) 17.432 1.131 ( 0.909 -1.209 -1.618) 2.215 1.251 ( 5.919 4.879 1.907) 7.904 1.269 ( -0.565 -3.722 -1.025) 3.902 1.357 ( -4.421 -1.934 -2.341) 5.364 1.460 ( 1.856 6.617 -1.733) 7.087 1.548 ( 2.177 1.264 3.422) 4.248 1.566 ( -8.674 6.382 -5.353) 12.026 1.601 ( 1.665 -3.533 -2.225) 4.495 1.723 ( -6.924 4.137 -4.278) 9.129 1.743 ( -0.641 0.763 0.669) 1.200 1.784 ( -0.380 0.418 1.280) 1.399 1.865 ( 1.044 0.427 1.531) 1.902 1.923 ( 0.857 2.387 -0.115) 2.539 1.999 ( 4.926 -0.926 2.048) 5.414 2.090 ( -3.063 0.206 -2.257) 3.811 2.191 ( -2.717 1.505 0.592) 3.162 2.314 ( -1.798 -5.686 -2.689) 6.541 2.392 ( 0.651 -3.679 3.130) 4.875 2.530 ( -3.595 -2.541 1.159) 4.552 2.574 ( -4.878 -1.254 0.209) 5.041 2.897 ( -4.398 -1.702 1.717) 5.018 3.055 ( 2.265 -0.057 1.674) 2.817 3.150 ( 0.683 -1.636 -1.221) 2.152 3.233 ( 3.465 -0.573 10.019) 10.617 3.810 ( -0.817 0.052 -0.773) 1.126 3.883 ( -0.812 -0.668 -1.320) 1.688 4.308 ( -1.732 -1.928 -2.280) 3.452 4.663 ( -1.435 -0.115 -0.547) 1.540 5.236 ( 0.282 -0.445 2.851) 2.899 5.263 ( 1.837 0.134 0.186) 1.851 5.420 ( 5.250 -1.726 1.115) 5.638 5.665 ( -0.031 0.457 0.051) 0.461 5.732 ( -0.554 0.983 -3.821) 3.984 5.768 ( -0.183 0.782 3.566) 3.655 6.125 ( -2.759 0.570 1.169) 3.050 6.447 ( -0.426 1.064 -0.190) 1.161 6.622 ( 7.581 3.025 -0.838) 8.205 6.815 ( 11.424 -3.897 -2.156) 12.261 7.434 ( 0.193 0.195 1.591) 1.615 7.908 ( -5.475 -1.694 -4.950) 7.573 8.106 ( -1.885 1.002 -4.874) 5.321 8.418 ( -13.083 -1.658 5.156) 14.160 8.471 ( -0.722 0.748 -5.129) 5.233 8.529 ( 2.475 1.535 4.129) 5.053 8.712 ( -5.297 0.351 8.589) 10.097 8.761 ( 6.659 0.333 -3.038) 7.327 9.073 ( 2.320 -0.097 1.794) 2.935 9.385 ( -2.926 1.071 -0.873) 3.236 9.664 ( -2.687 -3.642 -7.969) 9.165 10.196 ( -0.466 2.769 -0.791) 2.917 10.744 ( 4.109 -0.935 2.008) 4.668 11.954 ( -2.330 -0.676 -2.365) 3.388 13.924 ( 0.736 -0.190 0.476) 0.897 14.113 ( 0.053 0.196 0.654) 0.685 14.233 ( 3.928 0.016 0.516) 3.962 14.881 ( 8.552 8.887 5.767) 13.615 15.872 ( -0.525 0.561 -0.008) 0.768 16.119 ( -0.752 -0.283 0.361) 0.880 16.857 ( 2.464 1.863 0.730) 3.174 17.520 ( -2.064 -4.846 -6.832) 8.627 17.618 ( -4.146 -2.366 1.488) 5.000 18.198 ( -0.112 0.134 6.675) 6.677 21.423 ( -1.423 0.647 -0.353) 1.602 21.493 ( -5.106 -1.951 4.624) 7.160 22.889 ( -0.771 1.832 -2.993) 3.593 23.096 ( -2.158 -3.008 -5.088) 6.292 23.376 ( 3.584 -3.368 -0.880) 4.996 23.557 ( -1.824 -2.054 -0.112) 2.749 23.615 ( 1.463 0.852 -2.925) 3.380 23.729 ( -2.850 -0.853 1.720) 3.437 23.773 ( -0.827 0.126 -0.234) 0.868 24.953 ( 0.784 -0.322 -0.677) 1.085 25.025 ( -0.938 0.463 -1.130) 1.540 25.313 ( -1.768 -0.918 -1.370) 2.418 25.561 ( -2.632 4.351 -1.753) 5.379 26.080 ( 9.146 -0.480 4.214) 10.082 ======================= Grid point 12 (9/116) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -8.184 10.408 -5.891) 14.491 0.456 ( -3.031 11.079 -12.217) 16.768 0.961 ( -17.726 14.152 -13.914) 26.610 1.173 ( 0.078 -2.872 -0.253) 2.885 1.215 ( -2.968 8.061 -6.357) 10.686 1.317 ( -3.769 -2.353 0.181) 4.447 1.347 ( 4.588 5.486 1.975) 7.419 1.419 ( 0.298 5.442 -0.185) 5.453 1.561 ( -3.765 1.911 0.126) 4.224 1.622 ( 0.143 -2.183 -0.809) 2.333 1.677 ( 0.483 -2.823 2.094) 3.548 1.742 ( -0.272 -0.340 -1.114) 1.196 1.803 ( -0.459 -0.503 1.559) 1.701 1.890 ( 5.235 3.350 0.634) 6.247 1.958 ( 1.796 1.953 3.110) 4.088 2.033 ( -0.753 1.496 -0.895) 1.899 2.094 ( -2.188 0.026 0.410) 2.226 2.175 ( 3.395 -0.395 1.934) 3.928 2.273 ( -3.550 -5.233 -2.392) 6.761 2.468 ( -4.778 -0.109 2.244) 5.280 2.539 ( -0.949 -3.189 0.408) 3.352 2.550 ( 6.749 -0.640 4.084) 7.914 2.866 ( -3.874 -1.728 1.715) 4.575 3.093 ( -2.049 -1.761 2.883) 3.951 3.143 ( 0.446 -1.709 -4.758) 5.075 3.356 ( -1.267 -3.065 3.507) 4.827 3.797 ( 0.973 0.034 -1.281) 1.609 3.860 ( -1.693 -0.794 -0.680) 1.990 4.281 ( -1.011 -3.402 -2.426) 4.299 4.633 ( -1.647 -0.103 -0.511) 1.728 5.264 ( -0.782 -0.674 1.752) 2.034 5.295 ( 2.424 0.211 -0.328) 2.455 5.526 ( 4.125 -1.801 1.501) 4.745 5.651 ( -1.748 0.412 -2.065) 2.736 5.666 ( -1.065 0.477 -0.083) 1.170 5.836 ( 3.761 0.559 3.045) 4.871 6.091 ( -2.330 0.729 0.760) 2.557 6.421 ( -0.927 -0.309 -0.819) 1.275 6.756 ( 12.247 4.449 3.019) 13.376 7.003 ( 13.453 -0.929 -1.557) 13.575 7.457 ( 1.330 0.484 1.293) 1.918 7.778 ( -7.387 -1.413 -2.642) 7.972 8.020 ( -2.319 -0.757 -5.080) 5.635 8.300 ( -17.008 -3.361 10.324) 20.178 8.376 ( -3.269 1.317 -3.112) 4.701 8.582 ( 0.966 4.034 4.039) 5.790 8.724 ( -2.702 0.420 5.148) 5.829 8.830 ( 6.340 0.104 -2.288) 6.741 9.122 ( 1.793 0.051 1.014) 2.061 9.313 ( -2.704 1.623 -1.384) 3.444 9.523 ( -4.520 -7.749 -17.740) 19.879 10.150 ( -0.718 3.596 -0.654) 3.725 10.836 ( 3.298 -1.244 1.938) 4.023 11.900 ( -1.984 -0.893 -2.018) 2.968 13.943 ( 0.783 -0.310 0.436) 0.948 14.118 ( -0.046 0.237 0.562) 0.612 14.312 ( 4.981 0.975 1.340) 5.250 15.033 ( 15.780 14.133 9.909) 23.387 15.858 ( -0.427 0.792 -0.149) 0.912 16.109 ( -2.467 -0.544 1.274) 2.829 16.890 ( 3.925 3.850 1.821) 5.792 17.451 ( -7.997 -9.898 -5.935) 14.041 17.587 ( -4.213 -2.718 0.953) 5.103 18.267 ( 0.179 0.517 5.428) 5.456 21.394 ( -0.970 0.414 -0.415) 1.133 21.471 ( -10.598 -3.132 7.869) 13.567 22.830 ( -0.615 1.460 -2.579) 3.027 23.032 ( -2.286 -5.122 -7.617) 9.459 23.430 ( 5.157 -4.363 -8.089) 10.538 23.538 ( -5.920 -2.309 3.037) 7.043 23.589 ( 1.885 0.501 -4.985) 5.353 23.714 ( -1.960 -0.293 1.407) 2.431 23.756 ( -0.660 0.215 -0.239) 0.734 24.961 ( 0.569 -0.500 -0.638) 0.990 24.996 ( -0.529 0.746 -0.649) 1.122 25.280 ( -1.287 -0.013 -0.826) 1.529 25.459 ( -4.407 -0.123 -3.532) 5.649 26.283 ( 12.878 4.415 5.321) 14.616 ======================= Grid point 13 (10/116) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.182 ( -0.000 10.638 0.000) 10.638 0.244 ( -0.000 14.298 0.000) 14.298 0.498 ( -0.000 28.896 0.000) 28.896 1.064 ( -0.000 8.074 0.000) 8.074 1.221 ( 0.000 -3.351 -0.000) 3.351 1.305 ( -0.000 3.635 0.000) 3.635 1.347 ( 0.000 -2.267 -0.000) 2.267 1.404 ( -0.000 3.991 0.000) 3.991 1.489 ( -0.000 2.546 0.000) 2.546 1.626 ( 0.000 -0.964 -0.000) 0.964 1.730 ( 0.000 -0.673 -0.000) 0.673 1.741 ( 0.000 -5.201 -0.000) 5.201 1.825 ( 0.000 -2.172 -0.000) 2.172 1.953 ( -0.000 2.594 0.000) 2.594 1.970 ( -0.000 2.335 0.000) 2.335 1.989 ( -0.000 2.446 0.000) 2.446 2.029 ( -0.000 3.406 0.000) 3.406 2.260 ( 0.000 -3.684 -0.000) 3.684 2.266 ( 0.000 -2.444 -0.000) 2.444 2.412 ( 0.000 -0.594 -0.000) 0.594 2.549 ( 0.000 -1.381 -0.000) 1.381 2.809 ( 0.000 -2.566 -0.000) 2.566 2.925 ( -0.000 3.310 0.000) 3.310 2.956 ( 0.000 -11.810 -0.000) 11.810 3.125 ( 0.000 -0.694 -0.000) 0.694 3.296 ( -0.000 7.424 0.000) 7.424 3.810 ( 0.000 -0.460 -0.000) 0.460 3.836 ( 0.000 -0.360 -0.000) 0.360 4.288 ( 0.000 -3.252 -0.000) 3.252 4.616 ( -0.000 0.044 0.000) 0.044 5.268 ( 0.000 -0.583 -0.000) 0.583 5.313 ( -0.000 0.064 0.000) 0.064 5.587 ( 0.000 -0.141 -0.000) 0.141 5.610 ( 0.000 -1.143 -0.000) 1.143 5.660 ( -0.000 0.422 0.000) 0.422 5.908 ( 0.000 -1.667 -0.000) 1.667 6.069 ( -0.000 0.766 0.000) 0.766 6.414 ( 0.000 -0.709 -0.000) 0.709 6.926 ( 0.000 -4.466 -0.000) 4.466 7.163 ( -0.000 3.606 0.000) 3.606 7.517 ( 0.000 -1.204 -0.000) 1.204 7.655 ( -0.000 0.506 0.000) 0.506 7.946 ( 0.000 -1.782 -0.000) 1.782 8.214 ( 0.000 -0.868 -0.000) 0.868 8.319 ( -0.000 1.164 0.000) 1.164 8.579 ( -0.000 4.524 0.000) 4.524 8.733 ( -0.000 0.083 0.000) 0.083 8.874 ( -0.000 0.761 0.000) 0.761 9.141 ( -0.000 0.101 0.000) 0.101 9.266 ( -0.000 0.073 0.000) 0.073 9.309 ( -0.000 1.148 0.000) 1.148 10.111 ( -0.000 3.098 0.000) 3.098 10.886 ( 0.000 -1.187 -0.000) 1.187 11.879 ( 0.000 -0.775 -0.000) 0.775 13.957 ( 0.000 -0.536 -0.000) 0.536 14.119 ( -0.000 0.202 0.000) 0.202 14.357 ( -0.000 1.124 0.000) 1.124 15.347 ( 0.000 -1.743 -0.000) 1.743 15.847 ( -0.000 0.684 0.000) 0.684 16.075 ( -0.000 0.742 0.000) 0.742 16.996 ( 0.000 -0.024 -0.000) 0.024 17.247 ( 0.000 -0.966 -0.000) 0.966 17.580 ( 0.000 -2.114 -0.000) 2.114 18.300 ( -0.000 0.593 0.000) 0.593 21.382 ( -0.000 0.202 0.000) 0.202 21.408 ( 0.000 -0.089 -0.000) 0.089 22.799 ( -0.000 0.743 0.000) 0.743 22.942 ( 0.000 -0.969 -0.000) 0.969 23.400 ( 0.000 -0.666 -0.000) 0.666 23.510 ( -0.000 0.316 0.000) 0.316 23.569 ( -0.000 0.890 0.000) 0.890 23.709 ( -0.000 0.081 0.000) 0.081 23.748 ( -0.000 0.167 0.000) 0.167 24.962 ( 0.000 -0.335 -0.000) 0.335 24.989 ( -0.000 0.290 0.000) 0.290 25.264 ( -0.000 0.225 0.000) 0.225 25.383 ( -0.000 0.318 0.000) 0.318 26.457 ( 0.000 -0.328 -0.000) 0.328 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -0.624 0.000 -4.426) 4.469 1.078 ( 1.969 -0.000 2.778) 3.405 1.195 ( -1.544 0.000 0.585) 1.652 1.229 ( 1.355 -0.000 0.407) 1.415 1.252 ( 0.610 -0.000 -9.868) 9.887 1.314 ( 1.632 -0.000 -1.989) 2.573 1.330 ( 5.632 -0.000 3.046) 6.403 1.502 ( 2.631 -0.000 -1.108) 2.855 1.588 ( 6.144 -0.000 0.893) 6.208 1.680 ( 1.715 -0.000 -0.647) 1.833 1.721 ( -0.257 0.000 0.850) 0.888 1.748 ( 1.922 -0.000 -1.975) 2.756 1.807 ( -2.863 0.000 2.239) 3.635 1.901 ( 2.522 -0.000 1.680) 3.030 1.959 ( 0.110 -0.000 -1.980) 1.983 1.978 ( -0.664 0.000 2.127) 2.228 2.136 ( -2.920 0.000 5.458) 6.190 2.246 ( 1.315 -0.000 1.765) 2.201 2.256 ( -3.029 0.000 -7.117) 7.735 2.501 ( -8.513 0.000 -12.108) 14.801 2.541 ( -4.745 0.000 0.101) 4.746 2.618 ( -3.125 0.000 3.638) 4.796 2.926 ( -3.297 0.000 -0.570) 3.346 2.986 ( 3.527 -0.000 0.230) 3.535 3.081 ( 2.792 -0.000 8.458) 8.907 3.133 ( 0.584 -0.000 -1.018) 1.174 3.827 ( -2.351 0.000 2.028) 3.105 3.899 ( 0.192 -0.000 -1.912) 1.922 4.339 ( -2.403 0.000 -0.518) 2.458 4.683 ( -1.404 0.000 0.872) 1.653 5.185 ( -2.311 0.000 5.570) 6.031 5.241 ( 1.510 -0.000 -0.546) 1.605 5.349 ( 5.326 -0.000 -5.864) 7.922 5.667 ( -0.406 0.000 1.110) 1.181 5.727 ( 0.627 -0.000 2.112) 2.203 5.811 ( -1.441 0.000 -0.777) 1.637 6.151 ( -0.135 0.000 -0.218) 0.256 6.484 ( 0.847 -0.000 0.347) 0.915 6.505 ( 6.303 -0.000 0.737) 6.346 6.730 ( -0.266 0.000 -3.677) 3.686 7.419 ( -0.582 0.000 1.729) 1.824 7.986 ( -1.915 0.000 -4.584) 4.968 8.198 ( 0.075 -0.000 -2.413) 2.414 8.440 ( 0.990 -0.000 2.500) 2.689 8.524 ( 0.971 -0.000 -2.712) 2.880 8.551 ( -8.634 0.000 1.947) 8.851 8.686 ( 6.768 -0.000 -1.625) 6.960 8.705 ( -3.888 0.000 6.356) 7.451 9.027 ( 0.675 -0.000 1.400) 1.554 9.416 ( -0.668 0.000 0.408) 0.783 9.744 ( -3.700 0.000 -2.142) 4.276 10.226 ( 1.933 -0.000 -0.240) 1.948 10.675 ( 2.056 -0.000 -0.452) 2.105 11.994 ( -1.250 0.000 -1.212) 1.741 13.910 ( 0.056 -0.000 0.397) 0.401 14.108 ( 0.190 -0.000 0.252) 0.316 14.195 ( 1.470 -0.000 -1.320) 1.976 14.783 ( 8.264 -0.000 5.221) 9.775 15.881 ( -0.167 0.000 0.526) 0.552 16.120 ( 0.545 -0.000 -1.132) 1.256 16.829 ( 2.443 -0.000 0.032) 2.444 17.594 ( -2.066 0.000 -7.545) 7.822 17.626 ( -2.969 0.000 1.746) 3.444 18.141 ( -1.798 0.000 5.349) 5.643 21.444 ( -1.148 0.000 1.765) 2.106 21.499 ( -1.041 0.000 -1.373) 1.723 22.933 ( -0.004 0.000 0.826) 0.826 23.187 ( -2.348 0.000 -9.256) 9.549 23.267 ( 3.070 -0.000 1.208) 3.299 23.560 ( -1.511 0.000 -0.178) 1.522 23.637 ( -0.700 0.000 1.116) 1.318 23.754 ( -3.185 0.000 0.640) 3.248 23.783 ( -0.337 0.000 0.214) 0.400 24.949 ( -0.066 0.000 -0.081) 0.104 25.048 ( 0.242 -0.000 -0.995) 1.024 25.326 ( -0.681 0.000 -1.340) 1.503 25.782 ( 10.150 -0.000 7.290) 12.496 25.801 ( -6.497 0.000 -3.911) 7.583 ======================= Grid point 17 (12/116) ======================= q-point: (-0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -2.864 4.485 -6.685) 8.545 0.902 ( -4.395 7.455 -12.058) 14.842 1.130 ( -2.125 0.390 -2.018) 2.956 1.179 ( -1.635 -3.912 -1.757) 4.589 1.284 ( -1.731 -3.348 -2.672) 4.620 1.347 ( 6.091 2.238 2.729) 7.040 1.519 ( 1.895 0.826 -1.177) 2.379 1.545 ( 5.857 -1.888 0.962) 6.228 1.624 ( 2.370 5.056 1.667) 5.828 1.676 ( -0.077 5.332 -0.819) 5.395 1.725 ( -0.460 0.596 0.515) 0.913 1.788 ( 0.244 0.009 -0.306) 0.391 1.822 ( -1.178 1.635 0.583) 2.098 1.861 ( -2.311 1.992 -3.295) 4.491 1.938 ( 0.381 -1.227 -0.583) 1.412 1.975 ( 1.417 -2.348 -1.360) 3.061 2.049 ( -8.219 -3.455 -1.355) 9.018 2.181 ( -1.202 -1.996 -2.002) 3.073 2.260 ( -1.314 -0.281 -0.163) 1.354 2.372 ( 1.510 1.018 2.898) 3.423 2.479 ( -3.736 -2.712 -0.094) 4.617 2.565 ( -7.650 -0.238 2.049) 7.924 2.877 ( -4.289 -0.606 1.572) 4.608 3.043 ( 1.134 -0.780 1.414) 1.974 3.128 ( 0.662 -0.428 -1.673) 1.849 3.246 ( 4.515 0.675 9.016) 10.106 3.810 ( -2.300 -0.039 1.355) 2.670 3.873 ( -0.569 -0.352 -2.181) 2.282 4.285 ( -3.038 -0.774 -2.255) 3.862 4.663 ( -1.898 0.020 -0.002) 1.898 5.222 ( -1.813 -0.678 5.348) 5.688 5.268 ( 2.655 0.236 -0.364) 2.691 5.398 ( 6.817 -0.721 -2.360) 7.250 5.671 ( -0.374 0.205 0.730) 0.846 5.743 ( -1.218 0.320 -4.068) 4.258 5.777 ( -0.079 0.280 3.517) 3.529 6.132 ( -2.509 0.223 0.887) 2.670 6.466 ( -2.095 0.842 -0.704) 2.365 6.636 ( 8.573 -0.516 0.228) 8.592 6.787 ( 13.677 -0.075 -2.896) 13.980 7.435 ( -0.282 0.017 2.159) 2.177 7.887 ( -3.924 -0.751 -5.615) 6.891 8.109 ( -4.053 -0.156 -5.552) 6.876 8.398 ( -13.131 -0.619 4.373) 13.854 8.483 ( 1.441 0.440 -7.694) 7.840 8.554 ( 3.278 1.071 6.240) 7.130 8.713 ( -6.811 -0.069 9.991) 12.093 8.767 ( 6.585 0.201 -2.361) 6.998 9.071 ( 2.153 -0.061 2.120) 3.022 9.395 ( -2.121 0.236 -0.221) 2.145 9.631 ( -5.167 -0.734 -7.234) 8.920 10.233 ( 0.354 1.332 -0.533) 1.477 10.731 ( 4.135 -0.439 1.296) 4.356 11.944 ( -2.515 -0.375 -2.495) 3.562 13.920 ( 0.505 -0.134 0.535) 0.747 14.116 ( 0.096 0.091 0.653) 0.666 14.237 ( 5.009 0.211 0.284) 5.022 14.976 ( 9.783 2.716 6.412) 12.009 15.880 ( -0.481 0.254 0.307) 0.625 16.115 ( -0.007 -0.097 -0.571) 0.579 16.878 ( 3.915 0.609 0.435) 3.986 17.460 ( -4.123 -1.960 -8.574) 9.713 17.591 ( -4.440 -0.828 1.358) 4.716 18.202 ( -0.447 0.157 7.772) 7.787 21.433 ( -2.215 0.466 0.988) 2.469 21.468 ( -3.488 -0.900 1.362) 3.851 22.919 ( -0.585 1.372 -1.686) 2.251 23.051 ( -2.105 -1.867 -9.444) 9.855 23.330 ( 2.288 -1.596 1.185) 3.031 23.540 ( -1.189 -0.372 -0.082) 1.248 23.629 ( 0.594 0.542 -2.139) 2.285 23.723 ( -3.350 -0.058 2.730) 4.322 23.774 ( -0.848 0.056 -0.042) 0.851 24.949 ( 0.465 -0.173 -0.560) 0.748 25.030 ( -0.546 0.198 -1.365) 1.483 25.302 ( -1.079 -0.367 -0.929) 1.471 25.629 ( -6.669 2.806 -4.874) 8.724 26.055 ( 12.312 -1.495 7.706) 14.601 ======================= Grid point 18 (13/116) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -8.668 6.367 -9.323) 14.234 0.668 ( -3.582 11.173 -8.383) 14.420 1.121 ( -2.480 2.684 -2.304) 4.320 1.136 ( -3.835 -0.851 -1.818) 4.328 1.193 ( -1.824 -5.493 -1.998) 6.123 1.424 ( -8.038 11.205 -7.205) 15.559 1.446 ( 4.447 4.260 1.548) 6.350 1.513 ( 0.610 3.998 -0.796) 4.122 1.590 ( 0.975 0.317 -0.477) 1.131 1.620 ( -0.253 5.051 1.158) 5.188 1.684 ( -0.956 3.819 0.765) 4.010 1.740 ( -0.649 0.321 -0.301) 0.784 1.793 ( -0.526 -0.215 -0.906) 1.069 1.934 ( 4.842 0.612 1.206) 5.028 1.967 ( 2.231 -0.555 2.575) 3.452 2.031 ( -0.159 -2.369 0.123) 2.377 2.057 ( 3.746 -4.790 -0.904) 6.147 2.149 ( -3.612 -3.754 -0.708) 5.257 2.217 ( -3.231 0.853 -0.117) 3.344 2.457 ( -4.015 -1.119 2.433) 4.826 2.482 ( -0.328 -2.708 1.870) 3.307 2.517 ( 4.090 -2.953 4.313) 6.637 2.836 ( -4.841 -1.428 1.626) 5.303 3.048 ( -3.695 -2.294 -0.235) 4.356 3.117 ( 1.275 -0.595 -3.490) 3.763 3.378 ( 2.867 2.378 5.974) 7.040 3.796 ( -0.574 -0.106 0.170) 0.608 3.846 ( -1.176 -0.726 -1.165) 1.808 4.225 ( -2.550 -2.858 -2.672) 4.670 4.633 ( -1.698 0.024 -0.159) 1.705 5.249 ( -1.417 -0.843 2.554) 3.040 5.300 ( 2.296 0.338 -0.395) 2.354 5.494 ( 5.333 -1.704 0.566) 5.627 5.657 ( -2.692 0.287 -3.031) 4.064 5.672 ( -0.749 0.206 0.184) 0.798 5.833 ( 2.255 -0.409 2.139) 3.135 6.101 ( -2.219 0.476 0.772) 2.397 6.418 ( -1.729 -0.072 -1.076) 2.038 6.769 ( 7.030 -1.154 0.763) 7.165 7.025 ( 19.955 2.185 -0.159) 20.074 7.458 ( 0.539 -0.207 1.580) 1.682 7.768 ( -5.126 0.060 -3.580) 6.253 7.982 ( -7.479 -2.916 -4.037) 8.985 8.265 ( -11.232 -1.026 4.269) 12.060 8.399 ( -1.439 1.211 -4.871) 5.222 8.651 ( 0.936 3.660 7.656) 8.537 8.728 ( -3.440 -0.065 5.923) 6.850 8.835 ( 7.108 0.378 -2.587) 7.574 9.123 ( 1.748 0.043 1.331) 2.198 9.344 ( -2.404 1.883 -1.372) 3.348 9.447 ( -6.703 -2.526 -10.914) 13.055 10.208 ( -0.341 2.963 -0.389) 3.008 10.814 ( 3.219 -1.157 1.541) 3.752 11.885 ( -2.118 -0.809 -2.101) 3.091 13.936 ( 0.506 -0.387 0.392) 0.748 14.122 ( -0.036 0.165 0.535) 0.561 14.330 ( 5.860 0.998 1.345) 6.095 15.164 ( 9.715 3.487 6.308) 12.097 15.871 ( -0.395 0.662 0.060) 0.774 16.107 ( -0.814 0.126 -0.039) 0.825 16.938 ( 4.443 1.857 0.996) 4.918 17.329 ( -5.864 -4.702 -6.732) 10.090 17.546 ( -4.204 -1.941 0.826) 4.703 18.278 ( 0.216 0.593 5.951) 5.985 21.402 ( -1.602 0.512 0.024) 1.682 21.436 ( -5.307 -1.341 2.644) 6.079 22.861 ( -0.721 2.225 -3.262) 4.014 22.959 ( -1.609 -3.737 -6.722) 7.857 23.378 ( 1.569 -1.866 -0.866) 2.587 23.526 ( -1.781 -0.066 1.168) 2.131 23.604 ( 1.000 0.827 -3.064) 3.328 23.713 ( -2.074 0.029 2.418) 3.186 23.759 ( -0.724 0.142 -0.148) 0.753 24.952 ( 0.447 -0.417 -0.548) 0.821 25.006 ( -0.483 0.431 -0.877) 1.090 25.280 ( -0.859 0.007 -0.523) 1.005 25.467 ( -5.510 0.708 -4.273) 7.009 26.317 ( 10.787 0.622 6.192) 12.453 ======================= Grid point 19 (14/116) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( -0.000 8.477 0.000) 8.477 0.467 ( -0.000 12.156 0.000) 12.156 0.931 ( -0.000 20.946 0.000) 20.946 1.183 ( -0.000 0.435 0.000) 0.435 1.187 ( -0.000 3.882 0.000) 3.882 1.233 ( 0.000 -5.387 -0.000) 5.387 1.461 ( -0.000 8.195 0.000) 8.195 1.472 ( -0.000 3.952 0.000) 3.952 1.546 ( -0.000 5.818 0.000) 5.818 1.606 ( 0.000 -1.199 -0.000) 1.199 1.677 ( 0.000 -0.440 -0.000) 0.440 1.732 ( -0.000 0.071 0.000) 0.071 1.790 ( 0.000 -1.981 -0.000) 1.981 1.990 ( -0.000 1.827 0.000) 1.827 2.006 ( -0.000 1.990 0.000) 1.990 2.033 ( -0.000 1.667 0.000) 1.667 2.064 ( 0.000 -0.023 -0.000) 0.023 2.166 ( 0.000 -7.321 -0.000) 7.321 2.217 ( 0.000 -2.604 -0.000) 2.604 2.403 ( 0.000 -0.466 -0.000) 0.466 2.517 ( 0.000 -2.027 -0.000) 2.027 2.750 ( 0.000 -12.357 -0.000) 12.357 2.784 ( 0.000 -0.599 -0.000) 0.599 2.971 ( -0.000 2.202 0.000) 2.202 3.113 ( 0.000 -0.653 -0.000) 0.653 3.401 ( -0.000 5.067 0.000) 5.067 3.800 ( 0.000 -0.635 -0.000) 0.635 3.829 ( 0.000 -0.370 -0.000) 0.370 4.220 ( 0.000 -4.468 -0.000) 4.468 4.617 ( -0.000 0.073 0.000) 0.073 5.256 ( 0.000 -0.728 -0.000) 0.728 5.315 ( -0.000 0.176 0.000) 0.176 5.583 ( 0.000 -1.880 -0.000) 1.880 5.585 ( 0.000 -0.084 -0.000) 0.084 5.667 ( -0.000 0.433 0.000) 0.433 5.878 ( 0.000 -1.681 -0.000) 1.681 6.083 ( -0.000 0.755 0.000) 0.755 6.402 ( 0.000 -0.650 -0.000) 0.650 6.855 ( 0.000 -3.704 -0.000) 3.704 7.220 ( -0.000 2.986 0.000) 2.986 7.492 ( 0.000 -1.586 -0.000) 1.586 7.673 ( -0.000 1.694 0.000) 1.694 7.896 ( 0.000 -4.076 -0.000) 4.076 8.203 ( 0.000 -0.335 -0.000) 0.335 8.344 ( -0.000 1.653 0.000) 1.653 8.667 ( -0.000 5.319 0.000) 5.319 8.735 ( -0.000 0.169 0.000) 0.169 8.889 ( -0.000 0.982 0.000) 0.982 9.143 ( -0.000 0.156 0.000) 0.156 9.267 ( -0.000 0.094 0.000) 0.094 9.331 ( -0.000 1.228 0.000) 1.228 10.173 ( -0.000 3.899 0.000) 3.899 10.861 ( 0.000 -1.563 -0.000) 1.563 11.863 ( 0.000 -1.027 -0.000) 1.027 13.947 ( 0.000 -0.603 -0.000) 0.603 14.123 ( -0.000 0.211 0.000) 0.211 14.380 ( -0.000 1.454 0.000) 1.454 15.311 ( 0.000 -2.256 -0.000) 2.256 15.861 ( -0.000 0.900 0.000) 0.900 16.090 ( -0.000 0.952 0.000) 0.952 16.996 ( 0.000 -0.023 -0.000) 0.023 17.228 ( 0.000 -1.161 -0.000) 1.161 17.537 ( 0.000 -2.767 -0.000) 2.767 18.312 ( -0.000 0.732 0.000) 0.732 21.386 ( -0.000 0.308 0.000) 0.308 21.405 ( 0.000 -0.168 -0.000) 0.168 22.817 ( -0.000 1.332 0.000) 1.332 22.920 ( 0.000 -1.609 -0.000) 1.609 23.387 ( 0.000 -0.710 -0.000) 0.710 23.517 ( -0.000 0.396 0.000) 0.396 23.586 ( -0.000 0.994 0.000) 0.994 23.711 ( -0.000 0.107 0.000) 0.107 23.751 ( -0.000 0.194 0.000) 0.194 24.955 ( 0.000 -0.441 -0.000) 0.441 24.994 ( -0.000 0.376 0.000) 0.376 25.269 ( -0.000 0.294 0.000) 0.294 25.390 ( -0.000 0.394 0.000) 0.394 26.450 ( 0.000 -0.411 -0.000) 0.411 ======================= Grid point 24 (15/116) ======================= q-point: ( 0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -9.312 0.000 -8.760) 12.784 0.777 ( -4.345 0.000 -11.145) 11.962 1.104 ( -0.175 0.000 3.204) 3.209 1.135 ( -6.813 0.000 -2.077) 7.123 1.147 ( 1.881 -0.000 -1.991) 2.739 1.483 ( 4.577 -0.000 2.285) 5.116 1.519 ( -6.015 0.000 -6.916) 9.166 1.537 ( 1.566 -0.000 -0.746) 1.735 1.615 ( -2.370 0.000 -2.010) 3.108 1.708 ( 0.071 -0.000 0.852) 0.855 1.746 ( -0.244 0.000 1.664) 1.682 1.748 ( -0.815 0.000 -0.486) 0.949 1.799 ( -2.722 0.000 -3.001) 4.052 1.910 ( 4.716 -0.000 3.762) 6.033 1.929 ( 6.145 -0.000 -0.296) 6.152 1.988 ( 4.479 -0.000 -1.190) 4.634 2.012 ( -0.824 0.000 1.300) 1.539 2.116 ( -3.911 0.000 -2.167) 4.472 2.237 ( -2.206 0.000 0.467) 2.255 2.452 ( 1.572 -0.000 4.026) 4.322 2.456 ( -7.275 0.000 1.831) 7.501 2.482 ( 2.675 -0.000 2.927) 3.965 2.824 ( -4.888 0.000 1.379) 5.078 3.030 ( -2.703 0.000 0.005) 2.703 3.114 ( 0.936 -0.000 -2.561) 2.726 3.399 ( 3.990 -0.000 5.727) 6.980 3.795 ( -1.527 0.000 1.146) 1.909 3.840 ( -0.759 0.000 -1.436) 1.625 4.199 ( -3.271 0.000 -2.971) 4.419 4.633 ( -1.730 0.000 -0.065) 1.731 5.241 ( -1.448 0.000 2.911) 3.251 5.304 ( 2.023 -0.000 -0.203) 2.033 5.478 ( 5.922 -0.000 -0.088) 5.923 5.659 ( -3.353 0.000 -3.580) 4.905 5.673 ( -0.305 0.000 0.460) 0.552 5.829 ( 1.753 -0.000 1.909) 2.592 6.105 ( -2.151 0.000 0.734) 2.273 6.417 ( -2.083 0.000 -1.178) 2.393 6.756 ( 6.254 -0.000 0.129) 6.255 7.046 ( 20.918 -0.000 -0.051) 20.918 7.456 ( 0.010 -0.000 1.721) 1.721 7.771 ( -3.182 0.000 -4.281) 5.335 7.952 ( -9.976 0.000 -3.168) 10.467 8.257 ( -9.451 0.000 2.744) 9.841 8.410 ( -0.888 0.000 -5.323) 5.396 8.688 ( 1.322 -0.000 8.766) 8.866 8.724 ( -4.080 0.000 6.590) 7.751 8.839 ( 7.218 -0.000 -2.789) 7.738 9.124 ( 1.755 -0.000 1.463) 2.285 9.364 ( -1.590 0.000 -0.463) 1.656 9.425 ( -7.685 0.000 -10.266) 12.824 10.235 ( -0.211 0.000 -0.279) 0.350 10.803 ( 3.201 -0.000 1.355) 3.476 11.878 ( -2.160 0.000 -2.116) 3.024 13.933 ( 0.433 -0.000 0.392) 0.584 14.123 ( -0.030 0.000 0.516) 0.517 14.339 ( 6.129 -0.000 1.321) 6.269 15.189 ( 7.344 -0.000 4.939) 8.850 15.877 ( -0.381 0.000 0.165) 0.415 16.108 ( -0.176 0.000 -0.345) 0.387 16.953 ( 4.464 -0.000 0.437) 4.485 17.291 ( -4.704 0.000 -6.437) 7.973 17.529 ( -4.528 0.000 0.883) 4.613 18.283 ( 0.269 -0.000 5.971) 5.977 21.408 ( -2.392 0.000 0.674) 2.485 21.424 ( -3.243 0.000 0.960) 3.382 22.900 ( -0.507 0.000 -1.466) 1.552 22.907 ( -1.562 0.000 -8.001) 8.152 23.363 ( 1.021 -0.000 1.181) 1.561 23.526 ( -0.620 0.000 0.156) 0.639 23.611 ( 0.646 -0.000 -2.666) 2.743 23.713 ( -2.246 0.000 2.762) 3.560 23.761 ( -0.740 0.000 -0.122) 0.750 24.948 ( 0.425 -0.000 -0.506) 0.661 25.009 ( -0.482 0.000 -0.950) 1.065 25.280 ( -0.686 0.000 -0.387) 0.788 25.474 ( -6.075 0.000 -4.696) 7.679 26.320 ( 10.424 -0.000 6.476) 12.272 ======================= Grid point 26 (16/116) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -0.000 3.475 0.000) 3.475 0.627 ( -0.000 5.906 0.000) 5.906 1.077 ( -0.000 0.685 0.000) 0.685 1.133 ( 0.000 -3.738 -0.000) 3.738 1.216 ( 0.000 -0.710 -0.000) 0.710 1.313 ( -0.000 9.147 0.000) 9.147 1.524 ( -0.000 1.870 0.000) 1.870 1.539 ( -0.000 1.572 0.000) 1.572 1.599 ( -0.000 0.464 0.000) 0.464 1.679 ( -0.000 6.817 0.000) 6.817 1.734 ( -0.000 3.862 0.000) 3.862 1.738 ( -0.000 2.214 0.000) 2.214 1.766 ( 0.000 -0.623 -0.000) 0.623 1.996 ( 0.000 -3.324 -0.000) 3.324 2.008 ( 0.000 -0.762 -0.000) 0.762 2.022 ( 0.000 -3.422 -0.000) 3.422 2.043 ( -0.000 0.720 0.000) 0.720 2.044 ( 0.000 -5.147 -0.000) 5.147 2.212 ( -0.000 1.453 0.000) 1.453 2.399 ( -0.000 0.019 0.000) 0.019 2.492 ( 0.000 -0.879 -0.000) 0.879 2.579 ( 0.000 -6.663 -0.000) 6.663 2.781 ( -0.000 0.051 0.000) 0.051 2.997 ( -0.000 0.840 0.000) 0.840 3.105 ( 0.000 -0.221 -0.000) 0.221 3.459 ( -0.000 1.859 0.000) 1.859 3.792 ( 0.000 -0.320 -0.000) 0.320 3.825 ( 0.000 -0.114 -0.000) 0.114 4.160 ( 0.000 -2.179 -0.000) 2.179 4.618 ( -0.000 0.040 0.000) 0.040 5.247 ( 0.000 -0.325 -0.000) 0.325 5.318 ( -0.000 0.136 0.000) 0.136 5.556 ( 0.000 -1.054 -0.000) 1.054 5.584 ( 0.000 -0.011 -0.000) 0.011 5.673 ( -0.000 0.185 0.000) 0.185 5.858 ( 0.000 -0.598 -0.000) 0.598 6.091 ( -0.000 0.264 0.000) 0.264 6.395 ( 0.000 -0.201 -0.000) 0.201 6.811 ( 0.000 -1.369 -0.000) 1.369 7.256 ( -0.000 1.217 0.000) 1.217 7.471 ( 0.000 -0.796 -0.000) 0.796 7.708 ( -0.000 2.067 0.000) 2.067 7.828 ( 0.000 -3.250 -0.000) 3.250 8.200 ( 0.000 -0.034 -0.000) 0.034 8.366 ( -0.000 0.784 0.000) 0.784 8.728 ( -0.000 1.094 0.000) 1.094 8.745 ( -0.000 1.248 0.000) 1.248 8.902 ( -0.000 0.474 0.000) 0.474 9.146 ( -0.000 0.085 0.000) 0.085 9.268 ( -0.000 0.031 0.000) 0.031 9.346 ( -0.000 0.506 0.000) 0.506 10.224 ( -0.000 1.747 0.000) 1.747 10.840 ( 0.000 -0.729 -0.000) 0.729 11.849 ( 0.000 -0.481 -0.000) 0.481 13.940 ( 0.000 -0.250 -0.000) 0.250 14.126 ( -0.000 0.083 0.000) 0.083 14.399 ( -0.000 0.672 0.000) 0.672 15.281 ( 0.000 -1.039 -0.000) 1.039 15.873 ( -0.000 0.419 0.000) 0.419 16.103 ( -0.000 0.433 0.000) 0.433 16.995 ( 0.000 -0.008 -0.000) 0.008 17.213 ( 0.000 -0.492 -0.000) 0.492 17.500 ( 0.000 -1.290 -0.000) 1.290 18.321 ( -0.000 0.323 0.000) 0.323 21.391 ( -0.000 0.201 0.000) 0.201 21.403 ( 0.000 -0.139 -0.000) 0.139 22.840 ( -0.000 1.201 0.000) 1.201 22.893 ( 0.000 -1.323 -0.000) 1.323 23.379 ( 0.000 -0.287 -0.000) 0.287 23.522 ( -0.000 0.177 0.000) 0.177 23.598 ( -0.000 0.414 0.000) 0.414 23.712 ( -0.000 0.050 0.000) 0.050 23.754 ( -0.000 0.081 0.000) 0.081 24.950 ( 0.000 -0.201 -0.000) 0.201 24.999 ( -0.000 0.169 0.000) 0.169 25.272 ( -0.000 0.136 0.000) 0.136 25.395 ( -0.000 0.174 0.000) 0.174 26.445 ( 0.000 -0.184 -0.000) 0.184 ======================= Grid point 51 (17/116) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( -3.595 0.000 16.293) 16.684 0.418 ( 6.692 -0.000 19.690) 20.796 0.819 ( -3.956 0.000 38.208) 38.412 1.109 ( -0.971 0.000 9.316) 9.367 1.240 ( -3.037 0.000 -0.764) 3.132 1.274 ( -1.557 0.000 1.055) 1.881 1.354 ( 1.170 -0.000 -0.134) 1.178 1.436 ( -2.265 0.000 2.077) 3.073 1.476 ( 0.578 -0.000 1.682) 1.778 1.634 ( 1.224 -0.000 -0.058) 1.225 1.735 ( -0.156 0.000 -1.440) 1.448 1.761 ( -3.254 0.000 -0.548) 3.299 1.834 ( -1.218 0.000 2.312) 2.613 1.861 ( -1.547 0.000 -3.417) 3.751 1.951 ( -1.396 0.000 -0.643) 1.537 1.983 ( 2.015 -0.000 1.683) 2.626 2.224 ( -4.435 0.000 -5.190) 6.827 2.277 ( 3.178 -0.000 -3.382) 4.640 2.277 ( -20.391 0.000 4.017) 20.783 2.465 ( -0.257 0.000 4.073) 4.081 2.536 ( 1.449 -0.000 3.657) 3.934 2.613 ( -6.461 0.000 -1.369) 6.605 2.848 ( 0.716 -0.000 -2.144) 2.260 3.021 ( 4.571 -0.000 -6.028) 7.565 3.044 ( 7.386 -0.000 -7.522) 10.542 3.201 ( 22.753 -0.000 -6.792) 23.745 3.855 ( -0.482 0.000 2.370) 2.418 3.974 ( -9.978 0.000 15.379) 18.332 4.217 ( 10.298 -0.000 -8.134) 13.123 4.716 ( -1.708 0.000 7.143) 7.344 5.081 ( 10.352 -0.000 -15.352) 18.516 5.284 ( 3.267 -0.000 -3.967) 5.139 5.520 ( 2.815 -0.000 -5.570) 6.241 5.547 ( 4.725 -0.000 -6.545) 8.073 5.687 ( -4.989 0.000 5.731) 7.598 5.854 ( -4.347 0.000 3.886) 5.830 6.165 ( -5.046 0.000 5.035) 7.128 6.466 ( 1.264 -0.000 -1.322) 1.829 6.613 ( 0.367 -0.000 0.377) 0.526 7.101 ( 4.957 -0.000 -2.262) 5.449 7.475 ( -2.909 0.000 3.141) 4.281 7.705 ( 1.937 -0.000 4.747) 5.127 7.990 ( 0.180 -0.000 1.419) 1.430 8.337 ( 4.873 -0.000 4.013) 6.313 8.341 ( -9.079 0.000 -6.191) 10.989 8.563 ( -3.482 0.000 -0.827) 3.579 8.751 ( -7.869 0.000 1.419) 7.996 8.821 ( -4.245 0.000 -4.152) 5.938 9.147 ( -6.294 0.000 2.596) 6.808 9.247 ( 2.902 -0.000 -1.691) 3.358 9.959 ( 4.780 -0.000 -2.745) 5.512 10.641 ( -28.129 0.000 8.665) 29.433 10.796 ( 3.009 -0.000 -8.267) 8.798 11.870 ( 3.867 -0.000 -1.802) 4.266 13.949 ( -0.930 0.000 1.016) 1.377 14.106 ( -0.044 0.000 -1.056) 1.057 14.355 ( -2.993 0.000 0.658) 3.064 14.495 ( 2.232 -0.000 -2.036) 3.021 15.867 ( -1.441 0.000 2.477) 2.866 16.082 ( -2.506 0.000 0.884) 2.657 16.808 ( -0.172 0.000 -0.422) 0.456 17.289 ( 18.713 -0.000 -2.880) 18.933 17.650 ( -1.840 0.000 4.828) 5.167 18.269 ( 0.219 -0.000 -2.270) 2.281 21.419 ( -1.963 0.000 3.756) 4.238 21.547 ( -22.136 0.000 2.945) 22.331 22.835 ( 0.020 -0.000 3.923) 3.923 23.094 ( 1.348 -0.000 -2.341) 2.702 23.331 ( 9.547 -0.000 -5.070) 10.809 23.538 ( 1.994 -0.000 -2.351) 3.083 23.720 ( -1.285 0.000 0.884) 1.560 23.745 ( 0.561 -0.000 -0.109) 0.571 24.536 ( -35.446 0.000 0.814) 35.455 24.966 ( 0.770 -0.000 0.308) 0.829 24.986 ( -0.572 0.000 1.899) 1.984 25.238 ( 2.598 -0.000 -2.316) 3.480 25.524 ( 0.243 -0.000 -0.579) 0.628 25.844 ( 33.332 -0.000 -2.835) 33.452 ======================= Grid point 52 (18/116) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 4.605 -2.223 16.080) 16.873 0.757 ( 4.673 -3.132 18.725) 19.552 1.160 ( -5.613 -2.476 1.128) 6.238 1.247 ( 3.259 -2.716 7.164) 8.326 1.257 ( -0.824 0.860 -0.188) 1.205 1.310 ( 10.911 -4.184 26.049) 28.551 1.336 ( -2.198 -2.438 0.516) 3.323 1.428 ( 0.333 1.986 1.913) 2.778 1.563 ( 4.406 -1.088 1.175) 4.688 1.634 ( -1.968 1.284 -2.377) 3.342 1.664 ( -2.981 0.568 -2.206) 3.752 1.745 ( 2.355 0.391 -0.830) 2.527 1.789 ( -1.752 0.875 -2.207) 2.950 1.833 ( -2.147 -1.188 -0.995) 2.647 1.900 ( -4.887 -2.153 2.873) 6.064 2.029 ( 2.016 -0.184 -0.264) 2.041 2.096 ( -5.088 -0.399 -3.092) 5.967 2.182 ( -4.144 0.112 5.788) 7.119 2.274 ( 6.256 0.529 -9.204) 11.141 2.498 ( -0.066 4.327 2.861) 5.188 2.559 ( -1.034 -0.683 0.373) 1.294 2.602 ( 0.861 1.306 5.199) 5.430 2.856 ( 3.658 0.933 -1.986) 4.266 3.003 ( 1.238 -3.010 -7.946) 8.587 3.036 ( 3.429 0.108 -3.035) 4.580 3.241 ( 5.974 2.732 -16.384) 17.651 3.882 ( 0.279 -0.450 2.005) 2.073 3.999 ( -10.091 0.292 15.904) 18.838 4.267 ( 8.284 1.602 -7.157) 11.064 4.757 ( -2.589 1.606 6.417) 7.103 5.052 ( 9.303 0.250 -15.572) 18.141 5.258 ( 0.294 0.459 -3.491) 3.533 5.474 ( -1.243 -0.833 -5.317) 5.524 5.544 ( 5.209 -0.025 -7.286) 8.957 5.702 ( -1.299 -1.602 4.643) 5.081 5.831 ( -5.211 0.145 4.534) 6.909 6.163 ( -3.224 -0.821 5.036) 6.035 6.459 ( 0.078 1.376 0.633) 1.517 6.609 ( -4.488 -4.017 0.493) 6.043 7.057 ( -5.598 2.400 -1.732) 6.332 7.465 ( -3.121 -0.190 2.859) 4.237 7.862 ( 9.809 0.693 4.090) 10.650 8.015 ( 1.895 -1.907 -0.396) 2.718 8.284 ( 2.357 -0.427 1.419) 2.784 8.484 ( 4.511 2.387 4.231) 6.629 8.538 ( 1.148 -2.467 0.835) 2.847 8.646 ( -6.045 0.523 -0.218) 6.071 8.760 ( 3.890 -0.116 -8.642) 9.478 9.082 ( -5.603 0.855 1.457) 5.852 9.293 ( 4.334 -1.302 -1.341) 4.720 9.943 ( -0.164 3.809 -1.626) 4.145 10.368 ( -20.401 4.321 18.676) 27.994 10.725 ( 0.697 -0.379 -9.315) 9.348 11.920 ( 4.564 0.008 -1.183) 4.715 13.943 ( -1.457 -0.239 0.785) 1.672 14.095 ( 0.575 0.116 -1.284) 1.411 14.294 ( -4.237 0.575 -0.513) 4.306 14.567 ( 1.760 -11.098 -3.250) 11.697 15.878 ( -1.034 -0.166 2.613) 2.815 16.095 ( 0.807 -0.471 0.558) 1.088 16.806 ( -0.369 -1.517 -0.701) 1.711 17.478 ( 14.627 0.937 -9.233) 17.323 17.674 ( -2.105 1.238 5.294) 5.830 18.220 ( -1.782 2.476 -1.353) 3.337 21.440 ( -1.353 0.046 4.355) 4.561 21.469 ( -2.009 -0.138 4.781) 5.188 22.889 ( 0.110 -0.515 4.784) 4.813 23.100 ( 3.162 0.223 -2.174) 3.844 23.332 ( 3.250 -0.528 -9.295) 9.861 23.537 ( 2.533 0.563 -3.582) 4.423 23.692 ( -2.216 1.584 0.534) 2.776 23.758 ( 0.898 -0.115 0.288) 0.950 24.143 ( -20.308 9.683 12.264) 25.624 24.980 ( -0.614 -0.433 1.026) 1.272 25.010 ( 0.657 -0.116 1.992) 2.100 25.268 ( 3.778 -1.074 -2.033) 4.422 25.516 ( 0.897 1.426 0.355) 1.721 26.013 ( 3.635 -4.255 -8.697) 10.341 ======================= Grid point 53 (19/116) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 4.669 1.820 12.593) 13.554 1.023 ( 2.255 -3.806 14.714) 15.365 1.103 ( -5.546 -5.688 0.036) 7.945 1.208 ( -2.120 2.737 0.091) 3.463 1.286 ( -3.253 1.077 -2.465) 4.221 1.393 ( 3.035 -1.393 1.912) 3.847 1.443 ( -0.553 -3.266 2.739) 4.298 1.495 ( -6.757 0.223 0.761) 6.804 1.603 ( 0.345 -0.811 -0.855) 1.228 1.618 ( -1.828 -4.163 -2.549) 5.213 1.730 ( -0.442 1.817 -1.178) 2.210 1.773 ( -0.331 -1.932 2.145) 2.906 1.786 ( 3.002 1.701 -1.103) 3.622 1.822 ( 5.918 -4.445 6.868) 10.097 1.946 ( 2.539 -1.046 5.985) 6.585 1.988 ( -2.593 1.140 0.249) 2.843 2.080 ( 2.775 -1.924 -0.369) 3.397 2.210 ( 0.813 -0.395 2.020) 2.213 2.264 ( 6.211 -0.099 -6.143) 8.737 2.462 ( 1.367 4.115 -3.502) 5.574 2.594 ( 0.843 1.661 4.999) 5.334 2.643 ( -1.275 1.534 4.490) 4.913 2.888 ( 4.497 1.113 -1.613) 4.905 2.936 ( 0.601 -2.066 -10.549) 10.766 3.061 ( 3.603 0.654 -2.851) 4.641 3.109 ( -0.906 1.384 -5.540) 5.782 3.906 ( -0.282 -0.359 1.421) 1.493 4.018 ( -10.706 0.832 15.852) 19.146 4.276 ( 6.419 2.005 -8.109) 10.535 4.761 ( -3.557 1.617 5.423) 6.684 5.013 ( 9.501 0.623 -15.429) 18.130 5.223 ( 0.631 -0.060 -3.460) 3.518 5.411 ( -2.522 -1.661 -1.243) 3.266 5.542 ( 6.257 0.238 -8.200) 10.317 5.761 ( -0.050 -1.633 3.272) 3.657 5.800 ( -3.755 1.234 4.084) 5.683 6.192 ( -1.930 -1.398 5.257) 5.772 6.456 ( -1.409 0.995 1.497) 2.284 6.578 ( -4.601 -4.385 1.425) 6.514 6.891 ( -8.928 4.016 -2.574) 10.123 7.454 ( -2.357 0.553 3.049) 3.894 8.009 ( 3.827 0.167 1.863) 4.260 8.083 ( 5.372 -3.289 -0.092) 6.299 8.344 ( 3.742 0.203 -4.293) 5.699 8.482 ( 2.071 1.386 -0.382) 2.521 8.529 ( -0.251 0.566 -6.365) 6.395 8.706 ( 2.234 0.557 7.647) 7.986 8.751 ( 4.298 -0.398 -1.316) 4.512 9.002 ( -5.760 0.381 0.709) 5.816 9.356 ( 4.674 -1.330 -1.875) 5.208 9.880 ( -3.051 3.832 1.181) 5.039 10.319 ( -11.478 -0.429 14.712) 18.665 10.639 ( 1.323 -0.487 -8.474) 8.590 11.964 ( 3.589 0.001 -2.171) 4.194 13.930 ( -1.415 0.145 0.861) 1.662 14.094 ( 0.894 -0.020 -0.933) 1.292 14.228 ( -3.217 -0.113 -0.423) 3.246 14.639 ( 2.163 -6.554 -2.182) 7.238 15.893 ( -0.979 0.006 2.455) 2.643 16.116 ( 0.167 -0.918 0.817) 1.240 16.807 ( -0.169 -1.517 -0.587) 1.635 17.529 ( 8.106 -0.219 -10.369) 13.163 17.682 ( -2.382 2.257 4.944) 5.934 18.172 ( -0.998 2.786 1.364) 3.259 21.468 ( -1.243 0.623 4.123) 4.351 21.513 ( -0.525 -0.803 5.312) 5.398 22.936 ( -0.539 -0.083 2.852) 2.904 23.137 ( 3.898 -0.017 -0.793) 3.978 23.262 ( 1.512 -1.816 -10.104) 10.376 23.523 ( 2.874 0.394 -5.262) 6.009 23.650 ( -1.876 2.163 0.621) 2.930 23.775 ( 0.703 -0.012 0.401) 0.809 23.987 ( -12.459 4.636 12.163) 18.019 24.976 ( -1.509 0.252 1.074) 1.869 25.042 ( 0.290 -0.669 1.530) 1.695 25.313 ( 3.490 -1.905 -2.266) 4.576 25.529 ( 1.711 1.991 0.614) 2.697 25.962 ( -0.180 -1.872 -7.004) 7.252 ======================= Grid point 54 (20/116) ======================= q-point: (-0.57 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -4.889 1.515 2.287) 5.606 1.048 ( -7.497 2.170 -2.488) 8.192 1.124 ( -0.442 0.491 -0.434) 0.790 1.171 ( -5.135 0.911 3.556) 6.312 1.277 ( 2.953 -2.896 9.090) 9.986 1.396 ( -1.114 -0.914 -3.182) 3.493 1.442 ( -3.160 -0.941 2.938) 4.416 1.529 ( -0.322 -4.560 3.127) 5.538 1.594 ( -2.119 -5.421 -0.635) 5.855 1.624 ( 1.289 -0.122 -0.811) 1.528 1.707 ( 1.289 0.434 -0.541) 1.464 1.773 ( 0.884 -1.888 -0.666) 2.188 1.802 ( 2.602 2.371 0.146) 3.523 1.903 ( -0.937 0.540 2.168) 2.423 1.930 ( -0.588 2.896 -0.288) 2.969 1.989 ( -4.002 0.100 -0.749) 4.073 2.171 ( 1.934 2.513 -3.483) 4.710 2.226 ( 0.812 -1.269 0.957) 1.785 2.347 ( 1.317 1.493 -1.785) 2.673 2.419 ( 0.568 -5.677 0.577) 5.734 2.640 ( -1.393 3.226 6.004) 6.956 2.643 ( -1.646 -1.210 0.723) 2.167 2.887 ( 6.181 -0.710 -4.033) 7.414 2.945 ( 4.349 -0.256 0.126) 4.359 3.060 ( 1.825 2.092 2.190) 3.537 3.103 ( 3.329 -1.253 -3.640) 5.089 3.908 ( -1.650 -0.132 1.101) 1.988 4.015 ( -11.257 1.354 14.492) 18.400 4.249 ( 5.609 1.205 -10.043) 11.566 4.750 ( -3.900 0.876 4.641) 6.124 4.994 ( 11.154 0.593 -14.147) 18.025 5.204 ( 1.953 -0.396 -3.677) 4.182 5.417 ( -0.370 -2.452 3.213) 4.059 5.541 ( 6.533 0.526 -8.425) 10.674 5.741 ( -4.429 1.677 2.537) 5.372 5.827 ( 0.110 -0.521 2.065) 2.133 6.238 ( -2.266 -1.272 6.168) 6.693 6.438 ( -2.384 0.506 2.608) 3.569 6.585 ( -0.612 -2.537 -0.531) 2.663 6.704 ( -6.187 1.863 -3.389) 7.296 7.456 ( -1.558 1.067 3.666) 4.124 8.029 ( -1.940 -2.711 -1.589) 3.693 8.140 ( 0.390 0.290 -4.138) 4.167 8.345 ( 7.726 -0.513 -4.703) 9.059 8.420 ( 1.892 1.802 -8.455) 8.850 8.570 ( 3.165 0.573 1.880) 3.725 8.754 ( 2.061 0.296 1.859) 2.792 8.851 ( -2.236 1.212 10.614) 10.915 8.940 ( -2.667 -0.571 0.427) 2.761 9.399 ( 2.999 -0.172 -2.352) 3.815 9.819 ( -4.293 1.787 1.580) 4.911 10.317 ( -9.516 -0.676 11.019) 14.575 10.604 ( 4.507 -1.160 -6.159) 7.719 11.972 ( 1.837 -0.167 -3.891) 4.306 13.922 ( -0.809 0.286 1.097) 1.393 14.100 ( 0.816 -0.042 -0.384) 0.902 14.199 ( -1.319 -1.360 0.360) 1.929 14.691 ( 3.583 0.405 -0.852) 3.705 15.900 ( -1.345 0.372 2.092) 2.515 16.135 ( -0.469 -1.262 1.386) 1.932 16.813 ( 0.386 -0.764 -0.244) 0.890 17.510 ( 4.237 -2.435 -10.594) 11.667 17.682 ( -1.725 1.726 3.696) 4.429 18.182 ( 0.672 1.977 4.057) 4.563 21.477 ( -2.136 1.343 3.458) 4.280 21.586 ( -1.736 -2.294 8.671) 9.136 22.926 ( -1.337 1.407 -1.026) 2.195 23.155 ( -0.650 -2.564 -4.553) 5.265 23.236 ( 5.597 -1.824 -4.892) 7.654 23.501 ( 3.056 0.025 -6.071) 6.796 23.620 ( -1.200 1.363 0.742) 1.962 23.784 ( 0.097 0.222 0.194) 0.311 23.938 ( -9.559 1.280 11.891) 15.310 24.958 ( -1.288 0.463 0.292) 1.400 25.056 ( -0.993 -0.753 0.735) 1.447 25.338 ( 1.166 -2.340 -3.069) 4.031 25.540 ( 2.307 4.448 0.447) 5.031 25.918 ( 2.430 -1.285 -5.411) 6.069 ======================= Grid point 55 (21/116) ======================= q-point: (-0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -10.515 2.271 -2.996) 11.167 0.820 ( -14.387 3.663 -0.141) 14.846 1.113 ( 0.869 -0.749 -1.300) 1.734 1.196 ( 0.557 2.700 4.137) 4.971 1.314 ( -4.743 -2.359 -0.648) 5.337 1.418 ( -0.056 2.339 3.709) 4.385 1.435 ( -3.119 -3.138 2.154) 4.921 1.564 ( -0.163 0.290 -0.123) 0.355 1.593 ( -2.765 -0.430 -0.132) 2.801 1.633 ( -2.528 -2.906 -0.097) 3.853 1.739 ( -2.257 3.903 -0.710) 4.565 1.749 ( -1.173 0.812 -0.749) 1.612 1.808 ( -3.228 1.421 0.630) 3.583 1.865 ( -0.615 1.009 -1.305) 1.760 1.894 ( 0.990 2.401 1.276) 2.893 1.958 ( 3.043 -0.779 3.444) 4.662 2.077 ( -0.896 5.090 -1.186) 5.303 2.252 ( -3.532 -0.068 4.313) 5.575 2.313 ( 1.478 -3.869 -5.374) 6.785 2.470 ( -2.634 -4.959 1.174) 5.736 2.622 ( -4.024 -2.531 1.309) 4.931 2.638 ( -2.554 1.727 1.783) 3.562 2.972 ( 0.380 -2.232 1.562) 2.751 3.007 ( 4.527 0.233 0.131) 4.535 3.099 ( 2.537 -1.711 -5.490) 6.285 3.199 ( 10.394 0.502 4.041) 11.163 3.886 ( -3.012 0.196 1.476) 3.360 3.989 ( -10.706 1.076 12.475) 16.475 4.205 ( 5.768 0.095 -11.696) 13.042 4.738 ( -4.075 -0.318 4.294) 5.928 5.020 ( 12.553 0.160 -12.822) 17.945 5.202 ( 3.426 -0.348 -4.674) 5.806 5.498 ( 2.338 -2.422 3.420) 4.799 5.543 ( 5.339 0.275 -5.766) 7.863 5.678 ( -2.341 2.640 -1.676) 3.906 5.838 ( -2.388 0.103 3.768) 4.462 6.271 ( -5.020 -0.209 7.515) 9.040 6.444 ( -0.750 0.276 2.482) 2.608 6.523 ( -0.616 3.240 -2.617) 4.210 6.697 ( 6.038 -5.238 -3.862) 8.877 7.468 ( -1.439 1.280 4.099) 4.529 7.962 ( -5.101 -2.549 -4.670) 7.370 8.056 ( -1.129 1.137 -5.490) 5.719 8.351 ( 2.265 1.257 -6.863) 7.335 8.460 ( 9.764 -0.936 -2.502) 10.123 8.593 ( 4.727 2.458 -5.380) 7.572 8.815 ( -9.014 -3.106 16.390) 18.961 8.887 ( -6.052 1.879 10.210) 12.017 8.958 ( 4.366 -0.488 -0.791) 4.464 9.387 ( -0.452 0.953 -2.634) 2.837 9.750 ( -6.000 -0.575 -0.012) 6.028 10.285 ( -9.555 0.389 8.632) 12.883 10.653 ( 7.821 -1.350 -4.139) 8.951 11.939 ( 0.408 -0.415 -5.168) 5.201 13.927 ( -0.067 0.304 1.311) 1.348 14.108 ( 0.660 -0.005 -0.165) 0.681 14.218 ( 0.531 -2.236 1.340) 2.660 14.718 ( 5.706 8.259 -0.363) 10.045 15.893 ( -1.834 0.638 1.825) 2.665 16.153 ( -0.978 -1.437 1.868) 2.552 16.824 ( 0.937 0.582 0.055) 1.105 17.483 ( 2.791 -5.934 -9.202) 11.299 17.683 ( -1.279 0.798 2.131) 2.611 18.236 ( 1.511 1.027 4.267) 4.642 21.461 ( -3.144 1.407 3.015) 4.578 21.701 ( -3.846 -5.160 14.593) 15.949 22.868 ( -1.552 1.537 -2.361) 3.216 23.103 ( -1.159 -4.900 -7.428) 8.974 23.275 ( 5.210 0.440 -5.971) 7.936 23.489 ( 3.253 -0.779 -4.452) 5.569 23.611 ( -0.630 -0.314 0.937) 1.171 23.778 ( -0.532 0.416 -0.229) 0.714 23.933 ( -9.267 -0.844 12.384) 15.491 24.942 ( -0.053 0.279 -0.598) 0.662 25.041 ( -2.141 -0.458 0.017) 2.190 25.319 ( -0.625 -1.333 -3.474) 3.773 25.527 ( 0.658 3.644 -0.766) 3.781 25.937 ( 7.559 2.021 -4.950) 9.259 ======================= Grid point 56 (22/116) ======================= q-point: (-0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( -12.851 4.872 2.542) 13.977 0.594 ( -16.579 4.708 8.639) 19.278 1.077 ( -14.132 4.190 -5.850) 15.859 1.143 ( -4.039 4.974 -0.416) 6.420 1.238 ( -4.931 1.875 -0.486) 5.298 1.311 ( -4.812 2.109 3.761) 6.462 1.415 ( -4.491 1.220 2.531) 5.297 1.426 ( -4.611 0.843 2.252) 5.200 1.597 ( -0.633 0.485 -0.222) 0.828 1.633 ( -0.981 -1.556 -0.979) 2.084 1.710 ( 1.337 0.706 1.635) 2.227 1.736 ( 0.001 -2.645 0.305) 2.662 1.830 ( -2.299 -0.968 -0.146) 2.499 1.859 ( 2.840 -1.199 3.985) 5.038 1.932 ( 2.027 2.397 1.928) 3.684 2.013 ( -0.622 4.407 -0.333) 4.464 2.099 ( 5.948 -0.926 3.936) 7.192 2.223 ( -6.759 0.289 6.914) 9.673 2.327 ( -0.169 -3.276 -1.211) 3.497 2.490 ( 1.264 -2.740 0.361) 3.039 2.577 ( -5.767 1.085 1.030) 5.957 2.599 ( -2.771 -1.333 0.385) 3.099 2.954 ( -4.821 -1.552 -0.160) 5.067 3.056 ( 2.598 -0.617 -5.221) 5.864 3.090 ( 3.102 0.720 -1.164) 3.390 3.342 ( 7.076 -1.326 -7.576) 10.451 3.856 ( -3.228 0.069 2.191) 3.902 3.964 ( -10.027 0.431 12.107) 15.726 4.172 ( 6.682 -1.212 -11.141) 13.048 4.725 ( -4.826 -1.134 3.804) 6.249 5.064 ( 12.600 0.135 -13.464) 18.441 5.207 ( 5.112 -0.054 -5.939) 7.836 5.533 ( 5.785 -0.052 -7.383) 9.380 5.598 ( -2.177 1.853 0.552) 2.912 5.618 ( 3.224 -0.674 1.161) 3.493 5.857 ( -1.786 0.624 5.519) 5.834 6.248 ( -7.601 0.864 6.488) 10.031 6.439 ( -2.043 -0.446 1.317) 2.471 6.541 ( 7.105 3.507 -0.218) 7.926 6.822 ( 11.917 -4.164 -5.453) 13.751 7.479 ( -1.669 1.302 3.932) 4.466 7.845 ( -5.221 -1.258 -4.241) 6.843 7.987 ( -1.103 0.365 -2.558) 2.809 8.304 ( 1.061 0.141 -4.832) 4.949 8.544 ( 1.845 3.906 -0.421) 4.340 8.594 ( 13.745 -1.443 -13.756) 19.500 8.868 ( -7.446 0.424 9.111) 11.774 8.980 ( -9.563 -8.626 28.563) 31.332 9.028 ( 0.751 -1.767 6.537) 6.813 9.321 ( -2.132 1.351 -3.107) 4.003 9.628 ( -10.231 -1.981 -3.220) 10.907 10.236 ( -9.002 0.210 9.415) 13.027 10.745 ( 8.602 -0.774 -3.982) 9.511 11.887 ( 0.264 -0.560 -5.149) 5.186 13.941 ( 0.352 0.468 1.326) 1.449 14.113 ( 0.441 0.033 -0.487) 0.658 14.276 ( 1.969 -2.033 2.168) 3.565 14.713 ( 9.120 17.051 -1.515) 19.396 15.879 ( -2.066 0.622 1.869) 2.855 16.172 ( -1.143 -1.847 1.988) 2.945 16.830 ( 1.289 1.958 0.019) 2.345 17.486 ( 1.799 -9.764 -9.392) 13.667 17.673 ( -1.583 0.706 0.536) 1.815 18.284 ( 1.125 0.372 1.010) 1.557 21.435 ( -3.362 0.856 2.873) 4.505 21.910 ( -6.184 -13.858 23.871) 28.287 22.818 ( -1.131 0.792 -0.863) 1.628 23.024 ( -1.786 -5.154 -11.551) 12.775 23.231 ( 3.384 4.545 -8.932) 10.578 23.510 ( 2.976 -1.578 -2.695) 4.313 23.630 ( 0.025 -2.191 1.787) 2.828 23.760 ( -0.653 0.379 -0.553) 0.936 23.959 ( -10.594 -4.482 16.473) 20.092 24.941 ( 1.228 0.113 -0.887) 1.519 25.008 ( -2.226 -0.010 -0.213) 2.237 25.277 ( -0.489 -0.040 -3.028) 3.067 25.486 ( -2.107 -0.557 -2.219) 3.110 25.961 ( 12.159 11.768 -9.115) 19.220 ======================= Grid point 57 (23/116) ======================= q-point: (-0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( -9.912 8.577 10.828) 17.002 0.438 ( -18.851 8.002 8.751) 22.271 0.652 ( -24.486 5.023 21.746) 33.131 1.088 ( -4.522 4.408 5.922) 8.657 1.237 ( 0.566 -2.797 0.235) 2.863 1.304 ( -0.860 1.374 2.401) 2.897 1.341 ( -2.312 4.454 1.094) 5.136 1.428 ( -2.123 -2.551 2.743) 4.306 1.527 ( -4.330 1.890 -0.661) 4.770 1.627 ( -0.066 -0.773 -0.757) 1.084 1.731 ( 1.481 0.718 0.779) 1.821 1.795 ( -1.413 -0.083 1.346) 1.953 1.810 ( -1.984 -5.359 1.189) 5.837 1.930 ( 1.264 2.427 -1.556) 3.147 1.935 ( 0.740 0.615 -1.798) 2.039 1.967 ( -0.025 3.335 2.240) 4.017 2.224 ( 5.517 -0.316 0.993) 5.615 2.297 ( -2.888 -10.861 8.695) 14.209 2.319 ( -5.069 -7.089 3.594) 9.427 2.482 ( -5.800 0.098 0.971) 5.882 2.547 ( 1.048 1.658 -1.668) 2.575 2.642 ( 12.753 7.024 11.466) 18.532 2.885 ( -3.050 -0.709 -2.389) 3.938 2.984 ( -6.202 -5.085 -14.635) 16.689 3.110 ( 0.138 0.508 -1.449) 1.541 3.152 ( -3.377 13.359 -17.060) 21.930 3.844 ( -1.840 -0.189 2.419) 3.045 3.958 ( -10.165 -0.043 14.115) 17.394 4.176 ( 8.080 -1.221 -10.092) 12.986 4.698 ( -4.911 -0.679 3.848) 6.275 5.084 ( 11.452 -0.086 -14.688) 18.625 5.236 ( 6.885 -0.288 -4.453) 8.205 5.533 ( 3.883 0.214 -5.660) 6.867 5.556 ( 3.771 1.528 -5.883) 7.152 5.682 ( -2.197 -0.214 6.016) 6.409 5.876 ( -2.010 1.857 3.551) 4.483 6.198 ( -6.925 0.640 5.622) 8.942 6.440 ( -0.558 -1.384 1.478) 2.100 6.608 ( 7.608 7.002 -1.865) 10.506 6.982 ( 12.727 -2.158 -4.412) 13.642 7.482 ( -2.073 1.156 3.338) 4.096 7.738 ( -5.981 -0.078 -1.044) 6.072 7.969 ( -0.562 -0.541 1.472) 1.666 8.281 ( 1.603 -0.074 -1.907) 2.493 8.501 ( 3.239 2.413 -8.471) 9.384 8.639 ( 8.225 -2.059 -13.616) 16.040 8.833 ( -8.479 -0.148 5.973) 10.373 9.012 ( -5.311 -1.402 -3.901) 6.737 9.253 ( 0.079 0.887 -3.102) 3.227 9.305 ( -21.821 -11.594 0.057) 24.710 9.655 ( 12.578 -13.858 35.072) 39.753 10.340 ( -2.947 -16.146 30.466) 34.605 10.811 ( 6.719 0.372 -5.516) 8.702 11.855 ( 1.823 -0.399 -3.606) 4.060 13.954 ( 0.231 1.094 0.877) 1.422 14.111 ( 0.262 -0.221 -0.819) 0.888 14.344 ( 1.616 -0.371 2.410) 2.926 14.651 ( 13.590 30.445 -8.063) 34.301 15.867 ( -1.886 0.349 2.163) 2.891 16.182 ( -2.587 -2.778 -1.998) 4.290 16.829 ( 1.874 3.628 -0.683) 4.140 17.371 ( -10.223 -6.548 -21.482) 24.675 17.637 ( -2.557 1.044 2.656) 3.831 18.279 ( 0.308 -0.355 -2.606) 2.648 21.417 ( -2.789 0.270 3.164) 4.226 22.104 ( -23.082 -26.156 -17.097) 38.848 22.807 ( -0.459 0.483 1.923) 2.036 22.999 ( 6.712 -4.269 15.021) 16.998 23.158 ( 5.097 7.660 -1.420) 9.310 23.531 ( 2.153 -1.176 -2.653) 3.614 23.691 ( 1.160 -2.930 2.506) 4.026 23.745 ( -0.122 0.158 -0.486) 0.525 24.241 ( -1.886 -37.096 42.426) 56.388 24.957 ( 2.119 0.378 -0.050) 2.153 24.979 ( -0.944 0.545 -0.173) 1.104 25.249 ( 1.053 0.865 -1.737) 2.208 25.413 ( -5.735 -2.885 -3.893) 7.508 25.817 ( 14.963 40.485 -16.876) 46.344 ======================= Grid point 59 (24/116) ======================= q-point: ( 0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 11.839 -0.000 15.099) 19.187 0.969 ( 0.935 -0.000 12.913) 12.947 1.045 ( -6.506 0.000 1.120) 6.602 1.255 ( 0.649 -0.000 -1.717) 1.835 1.271 ( -3.067 0.000 -0.642) 3.133 1.366 ( 4.120 -0.000 4.186) 5.874 1.443 ( -0.961 0.000 -0.116) 0.968 1.513 ( -8.858 0.000 0.179) 8.860 1.540 ( -6.436 0.000 -2.585) 6.936 1.607 ( 2.896 -0.000 -1.556) 3.287 1.730 ( 0.027 -0.000 3.489) 3.489 1.769 ( 8.075 -0.000 8.195) 11.505 1.773 ( -1.864 0.000 -4.145) 4.544 1.810 ( 3.874 -0.000 0.425) 3.897 1.934 ( 2.731 -0.000 7.318) 7.811 1.998 ( -3.845 0.000 -0.538) 3.883 2.071 ( 3.826 -0.000 0.378) 3.845 2.213 ( -0.115 0.000 5.539) 5.540 2.247 ( 5.708 -0.000 -11.551) 12.884 2.511 ( 1.348 -0.000 -4.301) 4.507 2.598 ( 1.812 -0.000 4.060) 4.446 2.657 ( -2.905 0.000 6.396) 7.024 2.899 ( 3.901 -0.000 -1.881) 4.331 2.917 ( 2.364 -0.000 -9.169) 9.469 3.063 ( 3.878 -0.000 -3.328) 5.110 3.129 ( -1.608 0.000 -7.668) 7.835 3.901 ( -0.123 0.000 1.274) 1.280 4.026 ( -10.869 0.000 16.407) 19.681 4.294 ( 5.916 -0.000 -8.218) 10.125 4.777 ( -4.103 0.000 5.339) 6.733 5.017 ( 9.271 -0.000 -15.132) 17.746 5.222 ( -0.137 0.000 -2.801) 2.804 5.394 ( -2.664 0.000 -1.439) 3.027 5.544 ( 6.344 -0.000 -8.148) 10.326 5.746 ( 1.648 -0.000 2.351) 2.871 5.814 ( -4.303 0.000 5.129) 6.695 6.179 ( -1.506 0.000 4.783) 5.014 6.474 ( -0.267 0.000 1.166) 1.196 6.529 ( -5.963 0.000 2.229) 6.366 6.929 ( -8.659 0.000 -3.288) 9.262 7.458 ( -2.421 0.000 3.493) 4.250 8.011 ( 0.480 -0.000 -1.288) 1.375 8.050 ( 8.997 -0.000 2.448) 9.324 8.346 ( 4.148 -0.000 -3.836) 5.650 8.500 ( 1.926 -0.000 0.076) 1.927 8.531 ( -0.231 0.000 -7.456) 7.459 8.713 ( 0.934 -0.000 14.535) 14.565 8.743 ( 4.909 -0.000 -5.959) 7.721 9.006 ( -6.064 0.000 0.260) 6.070 9.342 ( 5.085 -0.000 -1.819) 5.401 9.919 ( -3.079 0.000 -0.453) 3.112 10.317 ( -13.143 0.000 15.301) 20.171 10.634 ( 1.565 -0.000 -9.033) 9.168 11.964 ( 3.546 -0.000 -2.262) 4.206 13.931 ( -1.404 0.000 1.033) 1.743 14.094 ( 0.860 -0.000 -0.928) 1.265 14.229 ( -3.249 0.000 -1.395) 3.536 14.576 ( 5.207 -0.000 0.678) 5.251 15.893 ( -0.942 0.000 2.660) 2.822 16.107 ( 0.358 -0.000 0.442) 0.569 16.793 ( 0.159 -0.000 -0.326) 0.363 17.527 ( 8.045 -0.000 -11.556) 14.081 17.702 ( -2.693 0.000 5.057) 5.730 18.198 ( -2.118 0.000 1.587) 2.647 21.474 ( -1.422 0.000 5.160) 5.352 21.505 ( -0.282 0.000 4.029) 4.039 22.935 ( -0.375 0.000 3.637) 3.656 23.140 ( 4.834 -0.000 -1.484) 5.057 23.243 ( 0.416 -0.000 -10.457) 10.465 23.524 ( 2.318 -0.000 -5.327) 5.809 23.670 ( -1.954 0.000 0.230) 1.967 23.775 ( 0.753 -0.000 0.483) 0.895 24.034 ( -14.922 0.000 10.587) 18.296 24.977 ( -1.426 0.000 1.297) 1.928 25.037 ( 0.356 -0.000 1.394) 1.439 25.292 ( 3.529 -0.000 -2.930) 4.587 25.562 ( 3.727 -0.000 1.837) 4.155 25.934 ( -0.878 0.000 -6.883) 6.939 ======================= Grid point 60 (25/116) ======================= q-point: ( 0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -4.207 3.926 0.454) 5.773 1.086 ( 3.333 4.721 0.419) 5.794 1.167 ( 2.702 1.680 2.303) 3.928 1.204 ( -6.171 2.658 1.107) 6.810 1.232 ( 0.967 -1.944 7.473) 7.782 1.337 ( -4.616 -4.627 -0.867) 6.593 1.390 ( -2.747 -6.626 -1.707) 7.374 1.488 ( -0.420 1.235 2.595) 2.905 1.534 ( 2.167 -1.457 3.474) 4.345 1.629 ( 2.754 0.370 -1.953) 3.396 1.706 ( 0.282 -0.017 -3.061) 3.074 1.731 ( 0.968 -2.300 -1.485) 2.904 1.834 ( 0.626 1.126 -0.388) 1.345 1.899 ( 0.321 -0.167 4.191) 4.207 1.962 ( -1.569 0.167 0.400) 1.627 2.009 ( -1.290 1.542 1.347) 2.420 2.155 ( 3.506 0.025 0.344) 3.523 2.210 ( 2.302 -2.890 -5.064) 6.268 2.307 ( -0.896 -2.313 7.560) 7.957 2.447 ( -1.294 3.929 -8.285) 9.260 2.621 ( -3.247 -1.238 0.529) 3.515 2.683 ( -1.896 1.491 5.826) 6.305 2.890 ( 6.299 0.822 -3.474) 7.241 2.931 ( 2.639 -1.262 -1.014) 3.096 3.072 ( 2.987 -0.396 -4.373) 5.311 3.099 ( 2.108 0.646 2.809) 3.571 3.902 ( -1.174 -0.326 0.395) 1.280 4.035 ( -12.181 0.789 16.410) 20.452 4.265 ( 4.536 0.548 -10.156) 11.137 4.763 ( -4.529 0.496 4.346) 6.296 5.000 ( 11.185 0.106 -14.952) 18.673 5.199 ( 1.492 -0.179 -3.227) 3.560 5.383 ( -0.987 -1.252 3.580) 3.919 5.548 ( 6.769 0.239 -8.527) 10.890 5.760 ( -2.864 0.432 1.958) 3.496 5.829 ( -0.021 0.468 2.768) 2.808 6.222 ( -0.908 -0.572 5.409) 5.514 6.460 ( -1.827 2.232 2.192) 3.623 6.516 ( -1.060 -4.210 1.272) 4.524 6.748 ( -7.350 1.928 -5.075) 9.138 7.468 ( -1.941 0.403 4.295) 4.730 7.987 ( -1.962 -1.698 -2.739) 3.773 8.146 ( 2.253 0.212 -3.629) 4.277 8.340 ( 7.407 -0.087 -5.855) 9.442 8.447 ( 1.039 1.037 -7.420) 7.563 8.578 ( 3.677 0.302 2.883) 4.682 8.761 ( -0.600 0.340 2.886) 2.968 8.860 ( -2.773 0.017 12.938) 13.232 8.932 ( -0.882 -0.223 -2.532) 2.691 9.390 ( 3.424 -0.497 -1.910) 3.952 9.852 ( -5.603 1.448 1.275) 5.926 10.309 ( -8.566 -0.221 11.054) 13.987 10.589 ( 4.718 -0.516 -7.012) 8.468 11.968 ( 1.660 -0.177 -4.032) 4.364 13.926 ( -0.975 0.120 1.324) 1.648 14.099 ( 0.862 0.004 -0.405) 0.953 14.183 ( -1.147 -0.517 -0.791) 1.486 14.692 ( 7.684 -0.112 1.786) 7.890 15.905 ( -1.267 0.174 2.380) 2.702 16.118 ( -0.146 -0.613 0.747) 0.977 16.802 ( 1.066 -0.446 -0.103) 1.160 17.482 ( 3.941 -0.859 -12.398) 13.038 17.705 ( -3.507 0.833 4.553) 5.807 18.206 ( -0.548 0.778 4.035) 4.146 21.501 ( -2.309 1.323 5.010) 5.673 21.550 ( -1.909 -1.718 6.116) 6.634 22.947 ( -1.094 0.865 0.673) 1.549 23.122 ( -0.998 -1.169 -9.897) 10.016 23.212 ( 5.234 -0.852 -0.779) 5.360 23.493 ( 2.371 -0.490 -6.589) 7.019 23.642 ( -1.286 0.874 -0.167) 1.564 23.787 ( 0.127 0.082 0.380) 0.409 23.957 ( -11.196 0.748 11.021) 15.728 24.964 ( -1.651 0.200 0.770) 1.833 25.047 ( -0.465 -0.281 0.324) 0.633 25.303 ( 1.718 -1.256 -2.999) 3.677 25.650 ( 6.593 6.846 2.167) 9.748 25.853 ( -0.951 -5.251 -6.037) 8.058 ======================= Grid point 61 (26/116) ======================= q-point: (-0.57 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -4.816 7.873 -1.797) 9.403 0.890 ( -11.365 4.536 -3.791) 12.811 1.113 ( -0.721 1.584 -1.358) 2.207 1.244 ( 0.265 0.807 1.341) 1.588 1.279 ( -1.992 -0.780 6.031) 6.399 1.355 ( -0.872 -4.988 0.471) 5.085 1.484 ( 1.496 3.386 2.687) 4.574 1.511 ( 2.607 -4.268 -0.448) 5.021 1.593 ( 0.339 1.436 4.025) 4.287 1.638 ( 0.784 1.721 0.218) 1.904 1.717 ( 1.865 -1.408 -0.702) 2.440 1.775 ( 1.301 -1.591 -0.067) 2.057 1.837 ( -0.204 0.490 0.066) 0.535 1.890 ( -6.275 2.282 -2.946) 7.298 1.941 ( -0.022 0.072 3.132) 3.133 1.954 ( 0.529 3.035 0.211) 3.088 2.147 ( -4.533 1.807 -3.736) 6.145 2.192 ( 0.195 -5.914 -3.646) 6.950 2.290 ( -3.144 0.463 1.307) 3.436 2.400 ( -1.121 -1.620 4.475) 4.890 2.572 ( -4.998 -3.011 0.438) 5.851 2.672 ( -4.353 1.795 2.851) 5.505 2.940 ( -0.313 -1.326 1.288) 1.875 3.004 ( 5.495 -0.518 0.123) 5.521 3.067 ( 2.842 -1.625 -5.615) 6.499 3.220 ( 7.239 1.305 5.377) 9.112 3.883 ( -2.030 -0.402 0.176) 2.077 4.013 ( -12.562 1.614 14.715) 19.415 4.205 ( 4.249 -0.099 -11.455) 12.218 4.735 ( -4.417 -0.057 3.087) 5.389 5.018 ( 12.936 -0.290 -14.311) 19.293 5.197 ( 3.502 -0.223 -4.324) 5.569 5.456 ( 0.754 -2.260 6.229) 6.669 5.550 ( 6.347 0.468 -7.963) 10.194 5.713 ( -2.545 1.419 -1.520) 3.286 5.845 ( -1.715 0.549 3.655) 4.074 6.269 ( -3.579 0.009 7.750) 8.536 6.456 ( -0.183 1.121 1.236) 1.679 6.559 ( 1.119 -0.338 -1.624) 2.001 6.625 ( 3.572 -1.925 -4.762) 6.256 7.486 ( -1.979 0.752 4.722) 5.175 7.917 ( -4.377 -2.406 -4.085) 6.453 8.069 ( -1.138 0.476 -7.022) 7.130 8.379 ( 1.668 1.822 -6.398) 6.858 8.444 ( 11.324 -0.766 -4.523) 12.218 8.629 ( 2.918 1.337 -1.409) 3.505 8.768 ( -11.652 -1.871 14.788) 18.920 8.913 ( -6.745 1.121 10.733) 12.726 8.953 ( 6.811 -0.110 -3.197) 7.525 9.396 ( 0.174 0.157 -2.429) 2.440 9.756 ( -8.293 0.919 1.595) 8.495 10.295 ( -7.363 0.732 7.769) 10.729 10.630 ( 8.064 -1.181 -4.538) 9.328 11.930 ( 0.131 -0.505 -5.320) 5.345 13.931 ( -0.376 0.151 1.569) 1.621 14.109 ( 0.831 0.063 -0.196) 0.856 14.191 ( 1.679 -1.023 0.541) 2.039 14.828 ( 10.010 4.545 1.727) 11.128 15.904 ( -1.720 0.532 1.987) 2.681 16.130 ( -0.668 -1.174 1.158) 1.779 16.828 ( 2.160 -0.013 -0.013) 2.160 17.402 ( 1.508 -3.421 -11.499) 12.092 17.691 ( -4.069 0.329 4.035) 5.739 18.251 ( 0.941 0.624 3.900) 4.060 21.492 ( -3.705 2.191 4.134) 5.968 21.617 ( -4.652 -4.628 9.765) 11.765 22.901 ( -1.544 2.368 -2.398) 3.707 23.025 ( -1.563 -4.219 -7.944) 9.130 23.281 ( 4.564 0.251 -1.471) 4.801 23.464 ( 2.944 -1.663 -6.750) 7.550 23.618 ( -0.892 0.776 0.212) 1.201 23.784 ( -0.615 0.281 0.021) 0.676 23.926 ( -9.886 -0.117 11.501) 15.166 24.947 ( -0.711 0.234 -0.107) 0.756 25.035 ( -1.309 -0.246 -0.387) 1.387 25.297 ( 0.350 -1.065 -2.663) 2.889 25.615 ( -1.464 6.004 -3.258) 6.986 25.930 ( 10.103 -2.439 -1.033) 10.445 ======================= Grid point 62 (27/116) ======================= q-point: (-0.43 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -6.664 10.694 2.698) 12.886 0.685 ( -12.802 5.816 6.489) 15.486 1.097 ( 0.209 -0.294 -1.979) 2.012 1.220 ( -4.111 1.727 1.897) 4.846 1.295 ( -9.622 1.875 -3.401) 10.376 1.359 ( 0.747 1.215 5.075) 5.271 1.424 ( -5.576 7.599 0.111) 9.425 1.510 ( -4.189 4.301 0.653) 6.039 1.575 ( 0.316 -0.355 -0.287) 0.555 1.629 ( -0.590 0.531 2.960) 3.065 1.695 ( -1.822 0.744 0.176) 1.975 1.744 ( -0.170 0.787 0.106) 0.812 1.804 ( -0.318 -1.743 -0.395) 1.816 1.877 ( 1.327 2.497 1.339) 3.129 1.954 ( 2.326 0.128 0.628) 2.412 2.049 ( 3.060 -4.770 3.061) 6.441 2.065 ( -2.055 0.876 0.340) 2.260 2.245 ( -0.917 -5.842 0.962) 5.991 2.252 ( -3.594 1.992 1.949) 4.548 2.431 ( 2.751 -3.314 -0.830) 4.386 2.562 ( -2.215 -2.888 2.172) 4.238 2.598 ( -7.131 1.221 2.139) 7.545 2.919 ( -3.830 -2.178 -1.719) 4.730 3.047 ( 0.616 -0.259 -4.448) 4.498 3.083 ( 3.338 -1.054 0.165) 3.504 3.348 ( 5.077 1.309 0.714) 5.291 3.856 ( -2.529 -0.182 0.765) 2.648 3.975 ( -11.160 0.993 12.712) 16.945 4.150 ( 4.801 -1.396 -10.947) 12.035 4.704 ( -4.413 -1.177 2.314) 5.121 5.057 ( 12.761 -0.762 -14.517) 19.344 5.207 ( 5.284 0.107 -5.639) 7.728 5.537 ( 5.454 0.229 -5.349) 7.643 5.578 ( -0.049 -2.053 6.083) 6.420 5.639 ( -0.153 1.239 -5.064) 5.215 5.866 ( -1.189 0.372 4.766) 4.926 6.265 ( -7.885 1.053 7.852) 11.178 6.432 ( -2.131 -0.262 -0.382) 2.181 6.603 ( 11.102 3.374 -1.767) 11.737 6.747 ( 12.235 -4.220 -4.136) 13.587 7.499 ( -2.158 0.899 4.399) 4.981 7.820 ( -4.857 -1.576 -3.155) 6.003 7.985 ( -1.349 -0.519 -4.346) 4.580 8.320 ( 1.008 1.728 -4.823) 5.221 8.548 ( 8.494 -2.640 -7.183) 11.433 8.621 ( 4.126 2.958 -5.954) 7.825 8.816 ( -14.176 -5.302 23.644) 28.074 8.899 ( -9.510 0.354 10.818) 14.408 9.020 ( 4.661 -0.070 -1.396) 4.866 9.344 ( -1.527 1.354 -3.217) 3.810 9.622 ( -11.454 0.645 2.370) 11.714 10.255 ( -6.897 1.814 6.612) 9.725 10.725 ( 8.600 -1.374 -3.723) 9.472 11.874 ( 0.019 -0.843 -5.251) 5.318 13.945 ( -0.043 0.014 1.530) 1.531 14.115 ( 0.614 0.160 -0.575) 0.856 14.259 ( 4.350 -0.383 2.067) 4.831 14.947 ( 13.259 10.002 -0.306) 16.611 15.892 ( -1.956 0.807 1.851) 2.811 16.141 ( -1.402 -1.615 1.360) 2.535 16.861 ( 3.095 1.401 -0.258) 3.407 17.338 ( 0.012 -7.130 -10.211) 12.454 17.669 ( -4.985 -0.725 3.612) 6.199 18.292 ( 1.203 0.416 0.466) 1.355 21.456 ( -4.189 1.712 3.437) 5.682 21.701 ( -9.972 -10.078 13.111) 19.311 22.836 ( -1.132 1.360 -1.791) 2.518 22.958 ( -1.750 -3.058 -5.289) 6.355 23.291 ( 3.897 2.864 -5.548) 7.361 23.466 ( 2.914 -3.245 -4.684) 6.400 23.613 ( -0.614 -0.057 1.468) 1.593 23.767 ( -0.869 0.405 -0.357) 1.023 23.914 ( -10.467 -1.266 12.546) 16.387 24.942 ( 0.626 -0.060 -0.540) 0.829 25.009 ( -1.385 0.186 -0.430) 1.462 25.276 ( -0.037 -0.122 -2.166) 2.170 25.495 ( -4.301 1.220 -3.945) 5.962 26.099 ( 15.574 4.821 -2.832) 16.547 ======================= Grid point 63 (28/116) ======================= q-point: (-0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( -10.468 9.171 6.987) 15.573 0.595 ( -11.365 8.218 18.177) 22.959 0.858 ( -14.171 18.175 7.203) 24.146 1.177 ( 0.848 -2.914 0.997) 3.195 1.204 ( -3.797 6.710 5.246) 9.326 1.332 ( -4.133 -1.314 1.284) 4.523 1.407 ( 1.765 2.974 2.655) 4.360 1.432 ( -3.300 6.427 1.808) 7.447 1.564 ( -4.005 2.226 -0.169) 4.585 1.606 ( 0.377 -1.158 -0.708) 1.409 1.719 ( -1.192 -3.457 1.544) 3.969 1.751 ( 0.074 0.403 1.765) 1.812 1.791 ( -0.393 -0.685 -0.456) 0.912 1.928 ( 3.512 0.436 1.302) 3.771 1.980 ( 1.758 2.192 -1.849) 3.364 2.026 ( -1.888 1.916 0.642) 2.765 2.149 ( -3.267 -4.200 4.969) 7.280 2.222 ( 0.089 0.127 2.392) 2.397 2.245 ( -3.479 -5.695 -0.622) 6.703 2.485 ( -7.078 0.342 0.604) 7.112 2.524 ( 1.983 -3.142 -2.159) 4.297 2.653 ( 8.927 -4.255 3.159) 10.381 2.838 ( -3.965 -3.516 -7.510) 9.191 2.972 ( -3.927 1.782 -2.987) 5.246 3.117 ( 1.522 0.098 -0.537) 1.617 3.329 ( 2.024 7.116 -6.971) 10.165 3.839 ( -1.610 -0.352 1.958) 2.560 3.957 ( -10.226 0.011 13.527) 16.957 4.143 ( 7.138 -2.617 -9.134) 11.884 4.679 ( -4.071 -1.458 2.952) 5.235 5.075 ( 11.147 -0.941 -15.358) 19.000 5.231 ( 6.603 -0.189 -5.857) 8.828 5.540 ( 4.779 0.586 -6.400) 8.008 5.575 ( 0.636 0.601 -3.813) 3.913 5.670 ( -1.087 -1.197 6.555) 6.752 5.896 ( -0.724 0.177 2.473) 2.583 6.216 ( -7.356 1.414 6.392) 9.847 6.416 ( -1.278 -1.324 0.940) 2.066 6.728 ( 12.936 5.027 -5.206) 14.823 6.938 ( 15.512 -1.924 -4.266) 16.203 7.503 ( -2.082 0.909 3.212) 3.934 7.737 ( -4.808 0.055 -0.312) 4.818 7.949 ( -1.577 -1.923 0.399) 2.519 8.287 ( 1.881 1.072 -1.840) 2.842 8.538 ( 1.963 -2.832 -15.905) 16.274 8.589 ( -1.340 0.340 0.851) 1.623 8.829 ( -8.653 -0.295 5.374) 10.191 8.930 ( -15.178 -7.602 11.131) 20.300 9.084 ( -1.656 -5.102 7.567) 9.276 9.280 ( 0.225 2.113 -2.604) 3.360 9.548 ( -5.760 -0.685 18.147) 19.052 10.232 ( -6.990 -0.035 10.832) 12.892 10.802 ( 6.240 -1.176 -5.075) 8.129 11.843 ( 1.749 -0.952 -3.534) 4.057 13.959 ( -0.248 -0.163 1.067) 1.108 14.111 ( 0.445 0.187 -1.194) 1.288 14.349 ( 3.362 0.635 2.209) 4.073 15.049 ( 18.980 13.616 -9.661) 25.278 15.877 ( -1.820 0.817 2.045) 2.857 16.136 ( -3.392 -1.876 0.458) 3.903 16.894 ( 5.309 3.086 -1.684) 6.367 17.257 ( -4.264 -5.652 -9.926) 12.192 17.636 ( -5.262 -1.113 3.553) 6.447 18.276 ( 0.241 0.143 -4.503) 4.512 21.426 ( -3.325 0.786 3.354) 4.787 21.715 ( -21.272 -15.384 6.963) 27.160 22.821 ( -0.221 1.072 2.486) 2.716 22.953 ( 1.356 -1.983 5.913) 6.383 23.260 ( 6.310 4.484 -5.240) 9.348 23.485 ( 1.645 -3.886 -3.481) 5.470 23.637 ( -0.515 -1.981 2.991) 3.624 23.750 ( -0.299 0.335 -0.391) 0.596 23.930 ( -12.798 -6.045 18.013) 22.909 24.954 ( 1.081 -0.443 -0.118) 1.174 24.989 ( -0.233 0.671 -0.010) 0.711 25.257 ( 0.465 0.357 -1.355) 1.477 25.401 ( -2.615 0.041 -1.126) 2.848 26.214 ( 17.523 10.856 -11.227) 23.473 ======================= Grid point 64 (29/116) ======================= q-point: (-0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -3.527 8.135 14.197) 16.739 0.531 ( 1.128 12.031 14.378) 18.782 0.901 ( -0.622 9.775 33.286) 34.697 1.177 ( -1.156 7.031 8.542) 11.124 1.219 ( 0.015 -2.264 0.069) 2.265 1.313 ( -3.018 3.257 0.518) 4.471 1.370 ( -0.518 0.155 1.158) 1.278 1.413 ( -1.379 1.917 1.191) 2.645 1.508 ( 0.391 2.321 1.486) 2.784 1.626 ( 1.255 -0.943 -0.051) 1.570 1.718 ( -2.565 -3.368 -1.747) 4.580 1.749 ( -0.713 0.996 -0.331) 1.268 1.796 ( -1.378 -2.049 0.989) 2.660 1.908 ( -1.416 3.046 -3.278) 4.693 1.974 ( -0.525 2.347 -0.856) 2.553 2.003 ( 0.881 1.741 1.764) 2.630 2.160 ( -8.811 -5.368 6.369) 12.125 2.231 ( -3.820 -2.098 -1.178) 4.515 2.262 ( 2.859 -2.163 -2.737) 4.510 2.450 ( -1.605 -1.822 3.414) 4.189 2.532 ( 0.965 -1.424 -0.389) 1.764 2.624 ( -7.996 -0.876 -5.458) 9.721 2.828 ( 1.878 -2.849 -1.506) 3.730 2.963 ( 9.888 -1.595 -5.975) 11.662 3.131 ( -1.262 3.364 -1.622) 3.942 3.233 ( 11.057 4.016 -10.187) 15.562 3.857 ( 0.096 -0.040 2.269) 2.272 3.971 ( -10.096 -0.356 15.448) 18.458 4.195 ( 9.409 -2.470 -7.817) 12.480 4.696 ( -2.184 -1.878 6.462) 7.074 5.073 ( 10.474 -0.983 -15.400) 18.650 5.265 ( 4.454 -1.331 -5.045) 6.860 5.527 ( 2.507 0.225 -5.179) 5.758 5.553 ( 4.071 0.391 -6.386) 7.583 5.706 ( -4.101 1.242 6.500) 7.785 5.874 ( -3.702 1.263 0.968) 4.029 6.176 ( -5.326 1.260 5.541) 7.788 6.433 ( 0.101 -1.960 0.949) 2.180 6.721 ( 2.591 7.903 -6.947) 10.837 7.080 ( 4.976 -1.508 -3.173) 6.091 7.489 ( -2.923 0.987 2.248) 3.817 7.707 ( 1.223 0.474 4.806) 4.981 7.981 ( 1.478 -1.398 1.786) 2.707 8.335 ( 3.311 0.397 -1.097) 3.510 8.348 ( -7.591 -0.272 0.177) 7.598 8.565 ( -1.956 0.676 0.262) 2.086 8.745 ( -7.582 -0.671 0.867) 7.661 8.822 ( -2.915 0.173 -4.473) 5.342 9.120 ( -3.983 -2.574 2.114) 5.192 9.268 ( 2.294 1.916 -0.747) 3.081 9.847 ( 2.072 -12.611 9.390) 15.859 10.334 ( -14.552 -13.545 23.017) 30.414 10.805 ( 2.264 -0.538 -7.483) 7.836 11.866 ( 3.945 -0.607 -1.567) 4.288 13.959 ( -1.007 0.151 0.437) 1.108 14.102 ( 0.460 -0.012 -1.411) 1.484 14.361 ( -3.116 0.797 0.342) 3.234 14.857 ( 0.029 24.331 -21.253) 32.306 15.872 ( -1.453 0.552 2.339) 2.808 16.089 ( -1.810 0.807 1.111) 2.272 16.860 ( -0.670 4.653 -3.775) 6.029 17.274 ( 15.694 -1.562 -1.490) 15.842 17.636 ( -2.641 -1.717 4.864) 5.796 18.235 ( -0.219 -2.655 -3.420) 4.335 21.421 ( -2.125 0.223 3.767) 4.331 21.518 ( -16.104 -2.504 5.148) 17.091 22.845 ( -0.012 1.169 3.979) 4.147 23.075 ( 1.548 -2.165 0.762) 2.769 23.336 ( 9.617 0.599 -5.505) 11.097 23.514 ( 2.072 -3.578 -1.897) 4.549 23.686 ( -1.062 -3.763 1.737) 4.278 23.747 ( 0.535 0.204 -0.059) 0.576 24.094 ( -18.100 -24.981 24.370) 39.314 24.975 ( 0.311 -0.783 0.926) 1.252 24.988 ( 0.476 1.200 0.478) 1.377 25.253 ( 1.612 0.716 -1.337) 2.214 25.440 ( 3.892 -2.209 3.772) 5.853 26.141 ( 10.290 14.674 -17.882) 25.318 ======================= Grid point 67 (30/116) ======================= q-point: ( 0.29 -0.71 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -3.954 0.000 -0.207) 3.960 0.954 ( -9.074 0.000 -8.677) 12.555 1.152 ( -1.615 0.000 -2.804) 3.236 1.213 ( -5.675 0.000 1.094) 5.780 1.269 ( -0.805 0.000 4.416) 4.488 1.326 ( 2.553 -0.000 5.253) 5.840 1.450 ( 7.344 -0.000 3.156) 7.993 1.525 ( -0.392 0.000 3.002) 3.027 1.619 ( 3.313 -0.000 1.561) 3.663 1.666 ( 3.720 -0.000 0.865) 3.820 1.720 ( 4.309 -0.000 -0.364) 4.324 1.725 ( 1.498 -0.000 -0.602) 1.615 1.836 ( 0.589 -0.000 0.729) 0.937 1.912 ( -4.544 0.000 -2.502) 5.187 1.935 ( -0.912 0.000 3.055) 3.189 1.995 ( -3.373 0.000 -1.133) 3.559 2.128 ( 0.705 -0.000 -4.532) 4.587 2.146 ( -7.753 0.000 -3.837) 8.651 2.295 ( -3.079 0.000 0.952) 3.223 2.408 ( 0.008 -0.000 6.255) 6.255 2.538 ( -6.434 0.000 -0.320) 6.442 2.688 ( -5.095 0.000 2.879) 5.852 2.930 ( -1.054 0.000 1.133) 1.548 2.997 ( 6.034 -0.000 0.365) 6.045 3.053 ( 3.225 -0.000 -5.795) 6.632 3.232 ( 6.467 -0.000 5.617) 8.566 3.879 ( -1.866 0.000 0.001) 1.866 4.029 ( -13.427 0.000 16.007) 20.893 4.204 ( 3.857 -0.000 -11.884) 12.494 4.735 ( -4.613 0.000 2.588) 5.289 5.015 ( 13.100 -0.000 -15.003) 19.917 5.195 ( 3.574 -0.000 -4.119) 5.453 5.435 ( 0.300 -0.000 6.909) 6.916 5.555 ( 6.602 -0.000 -8.382) 10.670 5.725 ( -2.621 0.000 -1.684) 3.115 5.851 ( -1.885 0.000 3.764) 4.210 6.270 ( -2.958 0.000 7.774) 8.318 6.473 ( -0.330 0.000 -0.874) 0.934 6.533 ( 4.547 -0.000 1.805) 4.893 6.623 ( 0.414 -0.000 -6.550) 6.563 7.492 ( -2.192 0.000 4.887) 5.356 7.895 ( -3.972 0.000 -3.857) 5.537 8.073 ( -1.293 0.000 -7.534) 7.645 8.397 ( 1.484 -0.000 -5.968) 6.149 8.437 ( 11.639 -0.000 -5.257) 12.771 8.636 ( 0.581 -0.000 0.470) 0.747 8.756 ( -10.311 0.000 13.039) 16.623 8.922 ( -6.937 0.000 11.155) 13.136 8.953 ( 7.370 -0.000 -3.679) 8.237 9.396 ( 0.541 -0.000 -2.151) 2.218 9.766 ( -9.319 0.000 2.152) 9.564 10.303 ( -6.321 0.000 7.394) 9.728 10.619 ( 8.168 -0.000 -4.774) 9.461 11.925 ( 0.014 -0.000 -5.351) 5.351 13.932 ( -0.577 0.000 1.704) 1.799 14.110 ( 0.908 -0.000 -0.216) 0.933 14.183 ( 2.292 -0.000 0.191) 2.300 14.866 ( 11.303 -0.000 2.428) 11.561 15.909 ( -1.671 0.000 2.060) 2.653 16.119 ( -0.461 0.000 0.880) 0.993 16.827 ( 2.606 -0.000 -0.035) 2.607 17.374 ( 1.003 -0.000 -12.251) 12.292 17.694 ( -5.207 0.000 4.651) 6.982 18.256 ( 0.764 -0.000 3.728) 3.806 21.523 ( -4.316 0.000 5.724) 7.168 21.564 ( -4.386 0.000 6.817) 8.106 22.934 ( -1.469 0.000 -0.379) 1.517 22.977 ( -1.754 0.000 -9.874) 10.028 23.283 ( 4.280 -0.000 0.441) 4.303 23.449 ( 2.942 -0.000 -7.737) 8.277 23.626 ( -0.875 0.000 -0.303) 0.926 23.787 ( -0.652 0.000 0.139) 0.666 23.925 ( -10.002 0.000 11.128) 14.963 24.949 ( -1.048 0.000 0.121) 1.055 25.033 ( -0.973 0.000 -0.517) 1.102 25.288 ( 0.827 -0.000 -2.344) 2.486 25.680 ( -5.401 0.000 -7.184) 8.988 25.895 ( 13.889 -0.000 3.218) 14.257 ======================= Grid point 69 (31/116) ======================= q-point: (-0.57 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -10.528 3.221 5.464) 12.291 0.784 ( -5.049 5.390 -1.138) 7.473 1.108 ( 0.538 1.509 -1.036) 1.908 1.192 ( -3.486 -2.435 5.245) 6.753 1.262 ( -7.310 -3.326 0.746) 8.066 1.422 ( 4.204 3.252 3.010) 6.108 1.514 ( 0.455 -0.190 -2.025) 2.084 1.534 ( -1.008 2.680 2.314) 3.682 1.650 ( -4.550 2.122 -0.916) 5.104 1.676 ( -0.223 6.527 1.363) 6.671 1.727 ( 1.988 3.860 0.401) 4.360 1.760 ( -1.281 1.122 -0.126) 1.708 1.798 ( -1.112 1.695 -0.531) 2.095 1.900 ( 0.976 -3.567 0.309) 3.711 1.904 ( -0.195 -3.941 -1.019) 4.075 1.976 ( 1.139 -3.023 3.855) 5.030 2.049 ( -2.399 -0.943 0.521) 2.630 2.140 ( 1.419 -4.695 -1.106) 5.028 2.280 ( -3.190 0.769 2.166) 3.932 2.425 ( -0.868 2.262 -2.011) 3.149 2.506 ( -1.035 -3.479 3.989) 5.394 2.612 ( -8.573 0.387 2.907) 9.060 2.894 ( -3.802 -0.716 -2.053) 4.380 3.047 ( 0.512 0.120 -1.425) 1.519 3.068 ( 3.404 -0.565 -0.271) 3.461 3.365 ( 5.060 0.530 2.498) 5.668 3.851 ( -2.009 -0.216 0.279) 2.040 3.995 ( -12.932 0.981 14.156) 19.199 4.128 ( 3.605 -0.938 -11.485) 12.074 4.690 ( -4.006 -0.461 0.956) 4.144 5.045 ( 12.799 -0.481 -15.081) 19.786 5.209 ( 5.501 0.127 -5.597) 7.849 5.531 ( 0.763 -0.706 7.192) 7.267 5.559 ( 5.247 -0.181 -6.081) 8.033 5.650 ( -1.835 0.281 -4.526) 4.892 5.869 ( -1.640 0.077 4.435) 4.729 6.279 ( -8.241 0.427 9.004) 12.214 6.431 ( -2.190 0.061 -1.730) 2.792 6.640 ( 9.079 0.893 -0.474) 9.135 6.699 ( 16.635 -1.334 -5.721) 17.642 7.508 ( -2.609 0.215 4.493) 5.200 7.799 ( -4.230 -0.780 -2.300) 4.877 7.976 ( -2.002 -0.385 -5.203) 5.588 8.351 ( 0.891 1.443 -4.380) 4.697 8.507 ( 2.453 -1.696 -4.642) 5.518 8.633 ( 3.304 -0.638 -4.234) 5.408 8.788 ( -7.572 0.561 16.531) 18.192 8.907 ( -9.421 0.318 8.727) 12.846 9.021 ( 4.796 0.062 -1.603) 5.057 9.362 ( -0.742 0.619 -2.906) 3.063 9.633 ( -12.727 0.396 4.981) 13.673 10.282 ( -5.239 1.037 5.299) 7.524 10.707 ( 8.594 -0.683 -3.624) 9.352 11.863 ( -0.156 -0.409 -5.245) 5.263 13.944 ( -0.452 -0.045 1.737) 1.796 14.117 ( 0.674 0.071 -0.611) 0.913 14.257 ( 5.826 -0.015 1.593) 6.040 15.049 ( 12.257 2.756 0.036) 12.563 15.902 ( -1.853 0.371 1.836) 2.634 16.123 ( -0.919 -0.527 1.108) 1.533 16.874 ( 4.112 0.320 -0.507) 4.155 17.259 ( -0.398 -2.376 -10.018) 10.304 17.659 ( -6.810 -0.363 4.890) 8.392 18.297 ( 1.387 0.167 0.034) 1.397 21.491 ( -5.611 2.303 4.496) 7.550 21.578 ( -8.108 -4.737 7.942) 12.299 22.860 ( -1.120 1.299 -3.814) 4.182 22.917 ( -1.425 -1.749 -1.144) 2.530 23.330 ( 3.123 1.708 -1.527) 3.874 23.418 ( 3.727 -2.076 -7.486) 8.617 23.616 ( -0.454 0.210 0.646) 0.817 23.772 ( -1.019 0.175 -0.176) 1.048 23.904 ( -9.839 -0.197 11.174) 14.890 24.940 ( 0.077 -0.058 -0.287) 0.302 25.012 ( -0.910 0.116 -0.453) 1.023 25.274 ( 0.355 -0.068 -1.767) 1.804 25.514 ( -5.798 0.717 -5.534) 8.047 26.142 ( 15.840 0.976 0.121) 15.870 ======================= Grid point 70 (32/116) ======================= q-point: (-0.43 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -12.933 5.542 4.077) 14.649 0.722 ( -7.801 7.023 18.259) 21.061 1.114 ( -1.439 6.508 1.206) 6.774 1.137 ( -3.999 -0.760 1.860) 4.476 1.248 ( -1.264 0.627 8.642) 8.756 1.352 ( -9.704 4.808 -0.107) 10.830 1.468 ( 2.676 3.500 0.133) 4.408 1.533 ( 0.365 3.683 1.645) 4.050 1.589 ( -0.035 1.102 0.481) 1.203 1.641 ( -2.173 5.669 0.680) 6.109 1.713 ( -1.165 3.542 1.239) 3.929 1.756 ( -1.361 -0.144 1.847) 2.299 1.772 ( 0.030 -0.895 0.439) 0.998 1.948 ( 3.469 0.032 -1.029) 3.619 1.978 ( 5.112 -1.916 -0.799) 5.517 2.033 ( -1.479 -0.001 0.852) 1.707 2.092 ( 2.194 -4.329 3.927) 6.243 2.145 ( -6.034 -4.996 0.470) 7.848 2.231 ( -4.050 0.618 1.116) 4.246 2.454 ( 7.261 -4.685 -5.610) 10.303 2.492 ( -8.275 0.477 1.576) 8.438 2.565 ( -0.954 -4.708 1.705) 5.098 2.803 ( -3.244 -0.850 -4.743) 5.808 3.001 ( -2.447 1.305 -1.561) 3.183 3.115 ( 1.675 -0.228 0.524) 1.770 3.408 ( 2.395 2.806 -3.463) 5.060 3.835 ( -1.362 -0.175 1.392) 1.955 3.961 ( -11.043 0.444 13.492) 17.441 4.095 ( 5.430 -2.744 -8.377) 10.353 4.656 ( -2.905 -1.095 1.501) 3.449 5.059 ( 11.082 -0.901 -15.482) 19.061 5.230 ( 6.551 -0.039 -6.817) 9.455 5.551 ( 4.691 0.727 -6.653) 8.173 5.579 ( -0.528 -0.024 -3.422) 3.463 5.646 ( -0.624 -1.406 8.331) 8.472 5.891 ( -1.562 -0.447 2.807) 3.243 6.238 ( -8.049 1.063 7.510) 11.060 6.399 ( -1.103 -0.675 0.195) 1.308 6.758 ( 7.684 -0.390 -1.993) 7.948 6.935 ( 22.507 0.990 -7.548) 23.759 7.510 ( -2.898 -0.006 3.251) 4.355 7.741 ( -3.114 0.372 1.114) 3.328 7.912 ( -3.375 -2.125 -0.275) 3.998 8.316 ( 1.549 2.052 -1.501) 2.977 8.450 ( -8.904 -4.580 -0.803) 10.046 8.623 ( 4.540 1.171 -8.299) 9.532 8.830 ( -8.225 0.577 5.121) 9.706 8.865 ( -5.708 -0.977 7.926) 9.816 9.055 ( 1.417 -0.323 0.614) 1.577 9.315 ( 0.438 1.789 -2.541) 3.138 9.552 ( -10.030 0.407 15.090) 18.124 10.257 ( -4.685 1.934 6.209) 8.015 10.781 ( 5.989 -1.095 -4.644) 7.658 11.827 ( 1.637 -0.814 -3.487) 3.937 13.955 ( -0.711 -0.248 1.364) 1.558 14.114 ( 0.508 0.159 -1.230) 1.340 14.360 ( 4.559 0.582 1.469) 4.825 15.169 ( 10.733 2.932 -6.215) 12.744 15.891 ( -1.767 0.688 1.896) 2.682 16.121 ( -1.708 -0.209 1.183) 2.088 16.926 ( 4.968 0.965 -1.778) 5.365 17.190 ( 0.642 -2.521 -5.933) 6.478 17.612 ( -7.269 -1.334 4.964) 8.903 18.281 ( 0.739 0.303 -5.577) 5.634 21.443 ( -4.506 1.227 3.740) 5.983 21.556 ( -12.180 -5.521 6.855) 15.027 22.842 ( 0.233 1.394 3.117) 3.422 22.922 ( -0.029 -1.731 3.164) 3.607 23.320 ( 4.682 3.040 -5.268) 7.676 23.423 ( 2.388 -3.368 -5.072) 6.540 23.624 ( -0.252 -0.086 1.693) 1.713 23.755 ( -0.507 0.269 -0.253) 0.627 23.885 ( -10.479 -0.996 11.951) 15.926 24.947 ( 0.729 -0.336 -0.059) 0.805 24.999 ( -0.200 0.467 0.275) 0.578 25.262 ( 0.473 0.228 -1.252) 1.358 25.404 ( -2.285 0.178 -1.371) 2.671 26.310 ( 12.229 2.544 -6.888) 14.264 ======================= Grid point 71 (33/116) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 0.825 6.886 13.999) 15.623 0.732 ( -5.427 11.292 13.343) 18.303 1.091 ( 0.140 8.629 17.629) 19.628 1.183 ( -0.741 -1.003 2.118) 2.458 1.260 ( -2.200 -3.932 2.417) 5.113 1.318 ( 1.956 8.082 9.054) 12.293 1.452 ( -1.312 4.287 -1.133) 4.624 1.498 ( -0.936 8.046 2.168) 8.385 1.559 ( -0.507 4.923 1.053) 5.060 1.606 ( 1.276 -1.170 0.032) 1.732 1.677 ( -2.519 -0.285 0.112) 2.537 1.761 ( -1.480 -0.568 2.591) 3.037 1.782 ( -0.142 0.933 -2.217) 2.409 1.942 ( -0.552 0.546 -4.142) 4.214 2.006 ( -2.329 0.917 0.659) 2.588 2.037 ( 2.680 2.501 0.815) 3.755 2.102 ( -4.980 -2.584 4.246) 7.036 2.189 ( -0.170 -2.477 -0.534) 2.539 2.205 ( 0.115 -4.585 -0.338) 4.599 2.424 ( -2.253 -1.020 1.584) 2.937 2.491 ( 1.060 -3.260 -2.397) 4.183 2.562 ( -4.907 -6.055 -5.278) 9.412 2.775 ( 3.219 -2.261 -1.597) 4.245 2.968 ( 4.262 1.232 -3.305) 5.533 3.140 ( 1.458 -1.052 -1.010) 2.062 3.312 ( -0.403 4.461 -9.410) 10.421 3.851 ( 0.037 -0.542 2.496) 2.555 3.963 ( -10.265 -0.459 15.181) 18.332 4.144 ( 8.412 -3.274 -6.897) 11.360 4.666 ( -1.617 -1.581 4.449) 4.990 5.052 ( 10.336 -1.280 -15.555) 18.720 5.249 ( 5.642 -0.616 -6.768) 8.833 5.528 ( 1.544 -0.010 -4.649) 4.898 5.555 ( 3.759 -0.134 -6.379) 7.406 5.720 ( -3.380 0.572 9.079) 9.705 5.879 ( -3.341 -0.351 0.756) 3.444 6.200 ( -5.985 1.427 6.508) 8.956 6.410 ( 0.370 -0.984 1.122) 1.538 6.797 ( 1.787 1.331 -4.419) 4.949 7.079 ( 6.845 1.321 -8.005) 10.615 7.494 ( -3.255 -0.310 1.866) 3.764 7.728 ( 0.544 2.144 5.079) 5.540 7.939 ( 1.799 -3.502 3.358) 5.175 8.329 ( -7.773 -1.489 1.857) 8.129 8.354 ( 5.632 1.775 0.158) 5.907 8.584 ( 0.124 1.038 -2.667) 2.865 8.733 ( -7.707 -0.659 0.185) 7.738 8.827 ( -0.258 0.431 -5.695) 5.717 9.084 ( -1.586 -1.436 1.700) 2.733 9.300 ( 2.339 1.822 -1.051) 3.145 9.685 ( -3.308 -5.354 18.849) 19.872 10.264 ( -6.102 0.599 11.834) 13.328 10.789 ( 2.423 -1.059 -6.752) 7.251 11.852 ( 3.995 -0.988 -1.330) 4.325 13.956 ( -1.196 -0.366 0.801) 1.485 14.104 ( 0.585 0.224 -1.628) 1.744 14.377 ( -2.525 1.059 -0.192) 2.745 15.104 ( 0.282 7.226 -15.780) 17.358 15.883 ( -1.490 0.681 2.057) 2.629 16.106 ( -1.044 1.126 1.450) 2.113 16.924 ( 0.160 2.755 -4.217) 5.040 17.246 ( 11.082 -1.569 0.023) 11.192 17.598 ( -4.099 -2.576 5.254) 7.144 18.207 ( 0.043 -0.667 -7.196) 7.227 21.426 ( -2.616 0.330 3.786) 4.613 21.484 ( -9.004 -1.466 5.821) 10.822 22.872 ( -0.027 2.048 4.212) 4.684 23.028 ( 1.697 -3.206 5.659) 6.722 23.347 ( 9.017 0.537 -5.706) 10.685 23.426 ( 0.333 -5.087 -2.588) 5.717 23.642 ( -0.814 -1.030 1.753) 2.190 23.751 ( 0.405 0.224 -0.024) 0.463 23.892 ( -11.286 -4.312 15.365) 19.546 24.963 ( 0.466 -0.606 0.582) 0.961 25.005 ( 0.420 0.797 1.124) 1.441 25.260 ( 1.369 0.301 -0.835) 1.631 25.428 ( 3.630 0.023 3.057) 4.745 26.276 ( 2.671 3.696 -14.338) 15.045 ======================= Grid point 72 (34/116) ======================= q-point: (-0.14 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 0.457 9.873 12.298) 15.778 0.834 ( 3.680 5.523 17.742) 18.943 1.182 ( -2.400 -1.058 1.495) 3.019 1.275 ( -2.402 3.282 1.797) 4.447 1.312 ( 5.418 0.600 5.096) 7.463 1.336 ( -5.325 0.372 1.031) 5.436 1.432 ( 4.122 6.250 9.412) 12.026 1.457 ( 4.068 9.582 10.779) 14.985 1.586 ( -0.094 1.291 2.734) 3.025 1.620 ( 1.396 0.034 -0.679) 1.553 1.652 ( -0.156 -0.023 -0.261) 0.305 1.730 ( 0.484 -1.130 -3.347) 3.566 1.773 ( -0.497 -0.574 0.820) 1.118 1.864 ( -2.353 1.994 -3.003) 4.304 1.946 ( -4.290 2.799 1.501) 5.338 2.031 ( -1.255 -0.174 -1.596) 2.038 2.102 ( -2.228 0.391 0.514) 2.320 2.181 ( -2.045 -0.339 4.420) 4.882 2.251 ( 6.472 -2.121 -8.742) 11.081 2.423 ( -0.996 -4.038 1.053) 4.291 2.536 ( -1.181 -3.126 2.023) 3.906 2.559 ( 2.321 -3.728 3.634) 5.700 2.827 ( 4.265 -2.319 -2.541) 5.480 3.015 ( 6.864 -0.652 -4.511) 8.240 3.094 ( -2.712 5.096 -5.875) 8.237 3.181 ( 1.490 -3.288 -11.246) 11.811 3.886 ( 0.188 -0.226 2.298) 2.317 3.990 ( -10.044 -0.671 15.532) 18.509 4.224 ( 8.487 -3.070 -6.900) 11.360 4.720 ( -1.887 -2.254 5.992) 6.674 5.039 ( 9.740 -1.336 -15.834) 18.638 5.249 ( 2.487 -0.500 -5.153) 5.743 5.486 ( -0.828 0.333 -4.498) 4.585 5.543 ( 5.061 -0.129 -7.468) 9.023 5.742 ( -2.777 2.648 6.463) 7.516 5.828 ( -5.047 -0.113 2.304) 5.549 6.184 ( -3.657 1.559 5.741) 6.983 6.440 ( 0.624 -0.738 1.084) 1.452 6.695 ( -5.200 4.924 -1.688) 7.358 7.003 ( -7.293 -3.019 -1.693) 8.073 7.465 ( -3.372 -0.284 2.033) 3.948 7.857 ( 7.957 0.317 5.256) 9.541 8.042 ( 5.272 0.457 0.209) 5.296 8.297 ( 1.686 1.064 1.511) 2.502 8.456 ( 3.760 -0.592 0.963) 3.926 8.570 ( 2.154 0.944 1.080) 2.588 8.632 ( -5.978 -1.086 -0.239) 6.080 8.763 ( 3.890 0.235 -9.283) 10.068 9.063 ( -4.463 -1.195 1.092) 4.747 9.321 ( 3.751 1.648 -1.074) 4.236 9.843 ( -2.060 -6.410 5.912) 8.960 10.311 ( -10.620 -1.223 16.500) 19.661 10.727 ( 0.296 -0.203 -8.318) 8.325 11.915 ( 4.667 -0.577 -0.905) 4.789 13.944 ( -1.551 -0.196 0.551) 1.658 14.095 ( 0.767 0.136 -1.459) 1.654 14.296 ( -5.302 0.781 -0.228) 5.365 14.803 ( -3.251 13.681 -10.239) 17.394 15.883 ( -1.098 0.376 2.279) 2.558 16.109 ( 0.300 1.080 1.156) 1.611 16.848 ( -1.097 3.159 -1.788) 3.791 17.449 ( 13.477 -2.359 -5.058) 14.586 17.637 ( -2.260 -2.900 5.188) 6.359 18.163 ( -0.324 -3.403 -3.160) 4.655 21.439 ( -1.368 -0.118 3.852) 4.089 21.473 ( -2.008 0.308 5.334) 5.708 22.905 ( -0.089 1.331 4.290) 4.492 23.096 ( 2.554 -0.240 -0.147) 2.569 23.345 ( 3.634 0.851 -9.353) 10.070 23.500 ( 3.828 -4.697 -2.388) 6.513 23.651 ( -1.908 -2.331 1.037) 3.186 23.761 ( 0.840 0.143 0.224) 0.881 23.958 ( -12.312 -8.800 16.040) 22.053 24.978 ( -0.555 -0.625 0.903) 1.230 25.021 ( 0.589 1.092 1.946) 2.308 25.283 ( 3.102 0.331 -0.729) 3.204 25.510 ( 2.511 1.233 1.112) 3.010 26.085 ( -1.323 2.942 -11.601) 12.041 ======================= Grid point 76 (35/116) ======================= q-point: ( 0.43 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -13.305 0.000 3.501) 13.758 0.792 ( -6.152 0.000 17.202) 18.269 1.113 ( 0.497 -0.000 -0.445) 0.667 1.141 ( -7.122 0.000 2.721) 7.624 1.253 ( -0.664 0.000 9.234) 9.258 1.431 ( -8.058 0.000 -0.211) 8.061 1.502 ( 2.938 -0.000 -0.136) 2.941 1.567 ( -0.618 0.000 2.666) 2.737 1.590 ( 0.348 -0.000 -1.150) 1.202 1.724 ( -0.496 0.000 0.354) 0.610 1.749 ( -0.986 0.000 -1.368) 1.686 1.754 ( -1.357 0.000 1.516) 2.035 1.788 ( -0.924 0.000 2.437) 2.606 1.898 ( 6.686 -0.000 -2.898) 7.287 1.981 ( 3.327 -0.000 2.887) 4.405 2.017 ( 0.104 -0.000 0.493) 0.504 2.055 ( 1.193 -0.000 6.350) 6.461 2.090 ( -4.226 0.000 0.006) 4.226 2.238 ( -4.450 0.000 -0.030) 4.450 2.406 ( 6.510 -0.000 -8.344) 10.583 2.505 ( -10.083 0.000 3.272) 10.601 2.517 ( -2.289 0.000 1.717) 2.861 2.798 ( -2.670 0.000 -4.075) 4.872 3.012 ( -2.131 0.000 -1.662) 2.702 3.112 ( 1.602 -0.000 0.973) 1.874 3.430 ( 2.688 -0.000 -2.703) 3.813 3.833 ( -1.223 0.000 1.183) 1.702 3.967 ( -12.289 0.000 14.227) 18.799 4.068 ( 5.263 -0.000 -8.806) 10.259 4.647 ( -2.347 0.000 0.773) 2.471 5.050 ( 11.109 -0.000 -15.490) 19.062 5.229 ( 6.534 -0.000 -7.195) 9.719 5.559 ( 5.040 -0.000 -7.040) 8.659 5.578 ( -1.193 0.000 -3.673) 3.862 5.633 ( -0.503 0.000 9.766) 9.779 5.887 ( -1.899 0.000 2.942) 3.502 6.248 ( -8.426 0.000 8.105) 11.692 6.393 ( -0.987 0.000 -0.209) 1.009 6.750 ( 6.226 -0.000 -0.730) 6.269 6.946 ( 24.258 -0.000 -8.731) 25.782 7.509 ( -3.181 0.000 3.118) 4.454 7.745 ( -2.112 0.000 2.101) 2.979 7.892 ( -4.554 0.000 -0.591) 4.592 8.339 ( 1.923 -0.000 -1.918) 2.716 8.408 ( -10.580 0.000 2.770) 10.937 8.629 ( 7.037 -0.000 -11.384) 13.384 8.837 ( -9.933 0.000 4.623) 10.956 8.863 ( -2.321 0.000 6.050) 6.480 9.054 ( 1.446 -0.000 0.110) 1.450 9.331 ( 0.610 -0.000 -2.629) 2.699 9.555 ( -11.161 0.000 15.216) 18.870 10.275 ( -3.965 0.000 5.141) 6.492 10.771 ( 5.920 -0.000 -4.439) 7.399 11.820 ( 1.585 -0.000 -3.467) 3.812 13.953 ( -0.871 0.000 1.479) 1.716 14.116 ( 0.522 -0.000 -1.221) 1.327 14.366 ( 5.066 -0.000 1.115) 5.188 15.188 ( 7.960 -0.000 -5.106) 9.457 15.897 ( -1.750 0.000 1.827) 2.530 16.120 ( -1.014 0.000 1.337) 1.678 16.933 ( 4.687 -0.000 -1.788) 5.017 17.170 ( 2.180 -0.000 -4.977) 5.433 17.600 ( -8.061 0.000 5.409) 9.708 18.284 ( 0.977 -0.000 -5.862) 5.943 21.459 ( -5.935 0.000 4.045) 7.182 21.507 ( -8.327 0.000 5.973) 10.248 22.858 ( 0.905 -0.000 3.924) 4.027 22.903 ( -0.896 0.000 1.935) 2.132 23.360 ( 1.323 -0.000 -1.476) 1.982 23.380 ( 5.659 -0.000 -9.280) 10.870 23.624 ( -0.105 0.000 1.314) 1.318 23.758 ( -0.602 0.000 -0.192) 0.632 23.878 ( -9.945 0.000 10.810) 14.689 24.944 ( 0.627 -0.000 -0.022) 0.628 25.004 ( -0.231 0.000 0.402) 0.464 25.264 ( 0.530 -0.000 -1.213) 1.324 25.406 ( -2.264 0.000 -1.579) 2.760 26.328 ( 10.812 -0.000 -5.743) 12.242 ======================= Grid point 78 (36/116) ======================= q-point: (-0.43 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 2.334 2.864 13.565) 14.059 0.896 ( -4.147 7.453 15.587) 17.768 1.123 ( -0.847 -1.629 2.383) 3.008 1.137 ( -1.418 -3.355 6.324) 7.298 1.226 ( -6.307 -1.060 2.325) 6.805 1.476 ( 5.948 7.265 11.071) 14.516 1.501 ( -0.917 1.682 -1.922) 2.713 1.575 ( -0.800 1.194 2.631) 2.998 1.600 ( 1.102 0.800 0.570) 1.476 1.681 ( -1.251 6.804 0.091) 6.918 1.720 ( -1.241 3.571 -0.556) 3.821 1.750 ( -0.934 -0.250 1.365) 1.673 1.806 ( 0.007 1.485 2.525) 2.930 1.914 ( 0.171 -3.446 -5.730) 6.689 2.007 ( -0.870 -0.849 -0.741) 1.424 2.041 ( -4.251 -2.213 0.964) 4.889 2.073 ( 2.998 -0.112 3.192) 4.381 2.129 ( -6.034 -3.368 5.035) 8.550 2.182 ( 2.719 1.486 -1.781) 3.574 2.418 ( -1.624 -1.837 0.237) 2.463 2.423 ( 1.756 -2.064 -4.725) 5.447 2.478 ( -4.012 -2.721 -1.351) 5.032 2.757 ( 2.361 -0.327 -2.691) 3.595 2.985 ( 1.845 0.623 -1.649) 2.551 3.122 ( 0.770 -0.759 -2.406) 2.638 3.365 ( -1.609 1.673 -8.696) 9.000 3.843 ( -0.425 -0.285 2.533) 2.584 3.958 ( -10.685 -0.171 14.957) 18.383 4.100 ( 8.345 -1.613 -5.991) 10.399 4.647 ( -0.808 -0.617 3.008) 3.175 5.036 ( 10.106 -0.578 -15.667) 18.653 5.243 ( 6.187 -0.189 -7.603) 9.804 5.528 ( 0.146 -0.019 -3.928) 3.930 5.552 ( 4.392 -0.130 -7.005) 8.269 5.727 ( -2.855 0.186 10.873) 11.243 5.872 ( -3.336 -0.276 1.269) 3.580 6.218 ( -6.577 0.591 7.287) 9.834 6.399 ( 0.820 -0.349 0.884) 1.255 6.798 ( 0.832 -0.369 -1.156) 1.472 7.103 ( 8.434 0.981 -10.741) 13.691 7.486 ( -3.561 -0.396 1.826) 4.021 7.772 ( 0.854 2.562 5.673) 6.284 7.877 ( 0.572 -3.221 4.549) 5.604 8.310 ( -5.912 -0.602 3.180) 6.740 8.383 ( 5.636 1.246 0.790) 5.826 8.590 ( 2.368 -0.111 -7.621) 7.982 8.725 ( -8.177 -0.218 -0.023) 8.180 8.835 ( 0.683 0.368 -6.536) 6.582 9.072 ( -1.050 -0.196 1.335) 1.710 9.323 ( 2.271 0.788 -1.974) 3.111 9.641 ( -5.667 -0.894 19.506) 20.332 10.284 ( -4.089 0.985 8.160) 9.180 10.775 ( 2.398 -0.494 -6.190) 6.657 11.838 ( 3.998 -0.474 -1.253) 4.216 13.951 ( -1.350 -0.179 0.993) 1.686 14.107 ( 0.602 0.104 -1.630) 1.740 14.391 ( -2.009 0.489 -0.625) 2.160 15.164 ( 0.720 1.226 -10.444) 10.541 15.891 ( -1.526 0.306 1.818) 2.393 16.121 ( -0.788 0.529 1.693) 1.940 16.953 ( 1.317 0.785 -3.142) 3.496 17.228 ( 8.527 -0.606 0.563) 8.567 17.563 ( -5.036 -1.252 5.487) 7.552 18.204 ( 0.455 0.039 -9.239) 9.250 21.431 ( -3.298 0.191 3.777) 5.018 21.468 ( -5.634 -0.479 5.563) 7.932 22.910 ( -0.204 2.207 3.861) 4.452 22.977 ( 1.772 -2.670 8.236) 8.837 23.349 ( 2.670 -0.299 -3.372) 4.311 23.377 ( 5.233 -0.978 -8.303) 9.863 23.636 ( -0.318 -0.001 1.105) 1.150 23.754 ( 0.273 0.095 0.000) 0.289 23.857 ( -9.593 -0.732 11.596) 15.068 24.956 ( 0.417 -0.239 0.457) 0.663 25.014 ( 0.319 0.303 1.515) 1.577 25.264 ( 1.138 0.114 -0.807) 1.400 25.430 ( 4.187 0.130 2.911) 5.101 26.307 ( 0.414 0.693 -12.208) 12.234 ======================= Grid point 79 (37/116) ======================= q-point: (-0.29 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 1.396 9.916 10.841) 14.758 0.936 ( 2.571 6.772 14.316) 16.044 1.155 ( -0.834 -2.131 2.281) 3.231 1.228 ( -0.534 -4.558 1.744) 4.909 1.301 ( 3.768 -2.471 8.997) 10.062 1.402 ( -6.450 3.348 -2.189) 7.590 1.559 ( 0.082 8.777 2.660) 9.172 1.582 ( -1.509 2.791 2.760) 4.205 1.606 ( -0.288 -0.463 0.828) 0.992 1.641 ( -1.330 5.775 2.178) 6.314 1.704 ( 4.450 2.425 4.853) 7.016 1.733 ( 1.993 4.475 -1.364) 5.085 1.767 ( 0.191 -0.430 -0.595) 0.759 1.890 ( -2.171 1.311 -0.480) 2.581 1.979 ( -2.079 0.676 -0.686) 2.292 2.016 ( -4.787 -1.607 1.152) 5.179 2.086 ( -2.427 -4.836 1.032) 5.509 2.151 ( 3.686 -1.266 -0.091) 3.899 2.232 ( 3.336 0.318 -0.826) 3.452 2.382 ( -2.026 -0.540 0.035) 2.097 2.475 ( -0.025 -3.700 2.085) 4.247 2.487 ( 3.569 -4.442 1.711) 5.949 2.793 ( 5.054 -1.476 -3.147) 6.134 3.008 ( 4.327 -0.205 -3.086) 5.318 3.113 ( 1.236 -1.844 -3.754) 4.362 3.189 ( -3.573 2.942 -11.369) 12.275 3.875 ( -0.605 -0.792 3.377) 3.521 3.979 ( -9.534 -0.587 14.763) 17.584 4.178 ( 8.914 -2.131 -6.693) 11.349 4.690 ( -0.907 -1.294 4.851) 5.102 5.015 ( 9.550 -1.335 -15.720) 18.442 5.243 ( 3.892 -0.224 -6.308) 7.415 5.486 ( -0.599 -0.130 -3.409) 3.464 5.540 ( 5.099 -0.174 -7.751) 9.279 5.780 ( -3.421 1.758 8.664) 9.479 5.826 ( -4.574 -0.127 1.204) 4.732 6.208 ( -4.258 1.078 6.574) 7.906 6.432 ( 1.686 -0.248 0.679) 1.834 6.746 ( -5.506 1.182 -0.878) 5.700 6.979 ( -8.918 0.101 -3.536) 9.594 7.456 ( -3.187 -0.707 1.264) 3.500 7.874 ( 5.361 1.594 6.414) 8.511 8.025 ( 7.834 -2.079 2.448) 8.467 8.314 ( 1.604 0.770 2.385) 2.975 8.469 ( 4.557 2.029 -2.197) 5.450 8.562 ( 2.688 -1.811 -2.803) 4.285 8.617 ( -6.113 -0.539 1.841) 6.407 8.767 ( 3.780 0.235 -10.229) 10.907 9.048 ( -3.956 -0.541 0.944) 4.103 9.339 ( 3.502 0.531 -1.992) 4.063 9.770 ( -3.069 -2.266 11.052) 11.692 10.316 ( -6.524 1.046 12.532) 14.167 10.722 ( 0.407 -0.328 -7.231) 7.250 11.903 ( 4.833 -0.686 -0.625) 4.921 13.939 ( -1.569 -0.299 0.628) 1.717 14.098 ( 0.784 0.184 -1.547) 1.744 14.312 ( -5.656 0.880 -0.330) 5.733 14.969 ( -4.624 6.154 -11.172) 13.567 15.889 ( -1.181 0.302 1.871) 2.234 16.127 ( -0.357 0.901 1.818) 2.061 16.897 ( -1.742 2.316 -2.385) 3.753 17.409 ( 11.554 -2.151 -0.273) 11.755 17.591 ( -1.698 -2.293 4.705) 5.503 18.123 ( 0.717 -1.392 -6.487) 6.673 21.437 ( -1.502 -0.097 3.451) 3.765 21.478 ( -1.851 0.240 5.789) 6.083 22.929 ( -0.452 1.324 3.006) 3.316 23.095 ( 2.247 0.206 4.348) 4.899 23.345 ( 1.214 -1.768 -6.363) 6.714 23.409 ( 6.859 -3.654 -3.928) 8.708 23.635 ( -1.034 -0.044 0.398) 1.109 23.762 ( 0.784 0.069 0.131) 0.798 23.872 ( -8.807 -2.460 13.237) 16.088 24.967 ( -0.340 -0.554 0.688) 0.947 25.038 ( 0.350 0.738 2.322) 2.462 25.282 ( 2.226 -0.237 -0.409) 2.275 25.545 ( 5.874 2.280 2.597) 6.815 26.105 ( -5.391 -0.031 -12.896) 13.978 ======================= Grid point 80 (38/116) ======================= q-point: (-0.14 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -0.579 7.810 9.613) 12.399 1.086 ( 1.543 3.533 10.489) 11.175 1.178 ( -0.391 0.635 4.025) 4.093 1.206 ( -9.868 5.269 -1.166) 11.248 1.252 ( -3.560 -2.112 -1.537) 4.415 1.388 ( 0.874 -1.578 1.034) 2.080 1.514 ( -4.225 3.018 0.306) 5.201 1.548 ( -1.954 6.535 4.812) 8.348 1.611 ( 1.592 -0.109 0.362) 1.636 1.640 ( -0.794 -2.559 1.808) 3.233 1.695 ( 1.080 -0.010 -2.335) 2.573 1.759 ( 1.336 -1.318 -2.708) 3.294 1.807 ( -1.921 1.469 -0.591) 2.489 1.903 ( 0.849 3.962 3.815) 5.565 1.941 ( -2.670 -1.123 -0.614) 2.961 1.993 ( 2.266 1.344 4.626) 5.323 2.141 ( 6.888 4.486 2.036) 8.468 2.197 ( 3.173 -6.207 -7.604) 10.316 2.240 ( 0.849 1.585 5.298) 5.595 2.423 ( 4.003 -0.199 -1.238) 4.195 2.546 ( -0.451 -3.405 6.164) 7.056 2.601 ( 2.865 -3.360 2.578) 5.113 2.862 ( 6.148 -1.731 -1.726) 6.616 2.980 ( -1.841 2.626 -12.343) 12.753 3.035 ( 0.248 -1.684 -0.900) 1.926 3.104 ( 2.411 0.202 -3.361) 4.142 3.905 ( -1.125 -0.550 2.803) 3.070 4.003 ( -9.766 -0.767 14.107) 17.175 4.238 ( 7.547 -2.172 -8.200) 11.354 4.734 ( -2.536 -1.458 5.164) 5.935 4.995 ( 9.652 -1.418 -15.159) 18.027 5.224 ( 1.822 0.088 -4.413) 4.775 5.437 ( -1.501 1.299 -0.997) 2.222 5.536 ( 6.138 -0.393 -8.356) 10.375 5.774 ( -5.627 -0.456 3.397) 6.588 5.805 ( -0.482 2.058 4.029) 4.550 6.218 ( -2.604 1.468 6.095) 6.789 6.450 ( -0.720 0.259 0.706) 1.041 6.640 ( -5.169 1.993 0.750) 5.591 6.828 ( -9.434 -2.396 -1.106) 9.796 7.441 ( -2.039 -0.957 2.045) 3.043 8.007 ( 3.816 -0.031 4.365) 5.798 8.135 ( 5.072 2.384 -0.452) 5.622 8.343 ( 2.710 0.269 -4.990) 5.685 8.467 ( 2.270 -0.470 -2.828) 3.657 8.513 ( 0.358 -1.050 -4.004) 4.155 8.700 ( 2.699 -0.154 4.332) 5.106 8.746 ( 4.656 -0.921 -1.747) 5.057 8.995 ( -5.415 -0.452 1.588) 5.661 9.370 ( 4.175 0.168 -2.400) 4.819 9.825 ( -2.801 -2.184 3.868) 5.251 10.334 ( -9.445 1.185 13.274) 16.334 10.647 ( 1.131 0.515 -7.209) 7.315 11.961 ( 3.774 -0.371 -1.902) 4.243 13.926 ( -1.354 -0.297 0.678) 1.543 14.095 ( 0.880 0.138 -0.980) 1.324 14.236 ( -3.602 0.747 0.732) 3.751 14.751 ( -2.739 5.902 -6.291) 9.050 15.893 ( -1.073 -0.002 2.020) 2.287 16.133 ( -0.322 1.068 1.637) 1.981 16.836 ( -1.133 1.766 -1.031) 2.338 17.534 ( 8.453 0.238 -7.095) 11.039 17.638 ( -1.403 -2.585 4.421) 5.310 18.120 ( 0.940 -3.042 0.114) 3.186 21.457 ( -1.257 -0.583 3.175) 3.465 21.528 ( -0.617 0.829 6.777) 6.855 22.937 ( -0.890 -0.005 1.060) 1.384 23.151 ( 3.023 1.825 1.159) 3.716 23.289 ( 2.168 0.963 -8.667) 8.986 23.490 ( 4.441 -3.894 -4.192) 7.243 23.622 ( -1.483 -0.578 0.678) 1.730 23.775 ( 0.638 -0.041 0.199) 0.670 23.916 ( -8.840 -3.212 13.035) 16.074 24.968 ( -1.132 -0.612 0.589) 1.415 25.057 ( -0.235 0.985 2.057) 2.293 25.325 ( 3.304 -0.701 -0.444) 3.407 25.555 ( 0.098 5.471 -2.033) 5.837 25.956 ( -0.470 -3.054 -7.298) 7.925 ======================= Grid point 85 (39/116) ======================= q-point: (-0.43 0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 3.888 -0.000 13.305) 13.861 1.035 ( 0.906 -0.000 10.041) 10.082 1.102 ( 1.002 -0.000 2.429) 2.628 1.197 ( -1.781 0.000 2.399) 2.988 1.258 ( 3.280 -0.000 9.966) 10.492 1.428 ( -5.279 0.000 -2.804) 5.977 1.591 ( -2.578 0.000 3.953) 4.720 1.599 ( -0.050 0.000 1.389) 1.390 1.675 ( -4.301 0.000 -3.146) 5.328 1.706 ( 0.080 -0.000 0.401) 0.409 1.720 ( -0.434 0.000 -0.900) 0.999 1.753 ( 0.858 -0.000 -2.465) 2.610 1.802 ( 4.071 -0.000 -0.152) 4.074 1.907 ( 4.481 -0.000 5.710) 7.259 1.974 ( -5.471 0.000 4.324) 6.974 1.983 ( -1.343 0.000 1.354) 1.908 2.018 ( -6.717 0.000 -0.612) 6.745 2.145 ( 3.518 -0.000 -0.249) 3.527 2.244 ( 1.628 -0.000 2.452) 2.943 2.392 ( -2.910 0.000 -0.672) 2.987 2.429 ( 2.851 -0.000 1.799) 3.371 2.443 ( 4.083 -0.000 0.848) 4.170 2.781 ( 5.246 -0.000 -3.481) 6.297 3.006 ( 2.720 -0.000 -2.548) 3.727 3.095 ( 1.989 -0.000 -3.910) 4.387 3.215 ( -3.741 0.000 -11.029) 11.646 3.867 ( -1.089 0.000 3.886) 4.036 3.974 ( -9.215 0.000 14.353) 17.057 4.160 ( 9.175 -0.000 -6.573) 11.287 4.679 ( -0.458 0.000 4.322) 4.346 5.002 ( 9.343 -0.000 -15.638) 18.216 5.241 ( 4.337 -0.000 -6.675) 7.960 5.485 ( -0.578 0.000 -2.970) 3.026 5.538 ( 5.146 -0.000 -7.917) 9.442 5.795 ( -3.550 0.000 9.560) 10.198 5.825 ( -4.371 0.000 1.101) 4.508 6.217 ( -4.547 0.000 6.948) 8.303 6.430 ( 2.282 -0.000 0.392) 2.315 6.752 ( -5.901 0.000 -0.080) 5.902 6.985 ( -9.163 0.000 -4.510) 10.213 7.448 ( -2.992 0.000 0.920) 3.130 7.894 ( 2.934 -0.000 7.117) 7.698 7.999 ( 9.783 -0.000 3.355) 10.342 8.321 ( 1.777 -0.000 3.039) 3.520 8.508 ( 8.430 -0.000 -2.800) 8.883 8.525 ( -0.585 0.000 -5.614) 5.645 8.613 ( -5.963 0.000 2.694) 6.543 8.769 ( 3.660 -0.000 -10.588) 11.203 9.044 ( -3.906 0.000 0.833) 3.993 9.343 ( 3.299 -0.000 -2.606) 4.204 9.754 ( -3.405 0.000 12.406) 12.865 10.327 ( -5.602 0.000 11.175) 12.500 10.719 ( 0.474 -0.000 -6.746) 6.763 11.897 ( 4.891 -0.000 -0.535) 4.920 13.936 ( -1.583 0.000 0.677) 1.721 14.100 ( 0.777 -0.000 -1.554) 1.737 14.320 ( -5.700 0.000 -0.389) 5.714 15.018 ( -4.553 0.000 -10.666) 11.597 15.892 ( -1.219 0.000 1.691) 2.084 16.135 ( -0.653 0.000 2.084) 2.184 16.917 ( -1.983 0.000 -2.457) 3.157 17.389 ( 10.528 -0.000 1.611) 10.651 17.570 ( -1.128 0.000 4.408) 4.550 18.112 ( 0.992 -0.000 -7.959) 8.020 21.436 ( -1.576 0.000 3.317) 3.672 21.480 ( -1.758 0.000 5.943) 6.198 22.941 ( -0.695 0.000 1.904) 2.027 23.099 ( 2.353 -0.000 8.193) 8.524 23.313 ( -0.003 0.000 -3.479) 3.479 23.391 ( 8.083 -0.000 -8.495) 11.726 23.636 ( -0.714 0.000 0.197) 0.741 23.763 ( 0.752 -0.000 0.089) 0.757 23.854 ( -8.016 0.000 12.073) 14.491 24.962 ( -0.312 0.000 0.603) 0.679 25.044 ( 0.289 -0.000 2.501) 2.518 25.279 ( 1.864 -0.000 -0.480) 1.925 25.567 ( 7.877 -0.000 3.615) 8.667 26.102 ( -7.344 0.000 -13.541) 15.404 ======================= Grid point 87 (40/116) ======================= q-point: (-0.29 0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -2.458 4.531 6.451) 8.257 1.143 ( 0.270 3.325 3.516) 4.846 1.199 ( -1.010 -0.674 4.058) 4.235 1.215 ( -0.604 0.956 4.960) 5.088 1.313 ( -5.187 5.002 2.287) 7.560 1.361 ( -2.309 -0.058 1.501) 2.755 1.485 ( -5.964 -7.000 -0.383) 9.205 1.587 ( -4.090 0.774 4.319) 5.998 1.633 ( -1.524 2.386 0.675) 2.910 1.674 ( 1.126 3.438 0.486) 3.650 1.701 ( 0.827 1.012 -1.501) 1.990 1.739 ( 1.410 -1.334 -3.925) 4.378 1.818 ( -3.714 0.117 0.352) 3.732 1.921 ( -3.038 -0.550 -3.442) 4.623 1.953 ( 0.661 1.266 -1.699) 2.220 2.004 ( -0.784 -0.019 4.899) 4.961 2.070 ( 1.851 -5.325 0.554) 5.664 2.209 ( 7.138 2.004 0.525) 7.433 2.271 ( -0.644 0.959 2.923) 3.143 2.443 ( 7.472 2.179 6.254) 9.984 2.503 ( 0.918 -1.344 3.653) 3.999 2.545 ( 5.629 -2.920 1.341) 6.481 2.841 ( 6.940 -0.706 -1.937) 7.239 2.991 ( 0.213 -0.636 -7.025) 7.057 3.040 ( -3.324 1.358 -5.973) 6.969 3.103 ( 3.053 -0.317 -2.438) 3.920 3.894 ( -2.086 -0.508 4.355) 4.855 3.994 ( -8.673 -0.276 12.641) 15.332 4.212 ( 8.494 -0.874 -8.666) 12.166 4.717 ( -1.821 -0.526 4.793) 5.155 4.975 ( 9.509 -0.776 -14.557) 17.405 5.225 ( 2.428 0.035 -4.871) 5.442 5.452 ( -0.501 0.422 -0.782) 1.020 5.531 ( 6.082 -0.216 -8.571) 10.511 5.769 ( -5.324 -0.075 2.033) 5.700 5.834 ( -2.219 1.085 5.847) 6.347 6.236 ( -3.002 0.600 6.738) 7.401 6.459 ( 1.353 0.514 -0.658) 1.590 6.637 ( -8.776 -1.114 0.320) 8.852 6.822 ( -8.299 0.672 0.291) 8.331 7.427 ( -1.598 -0.560 1.136) 2.039 8.007 ( 2.136 0.052 5.822) 6.202 8.157 ( 6.698 0.511 0.481) 6.734 8.353 ( 1.655 0.626 -4.845) 5.158 8.460 ( 1.963 -0.414 -9.975) 10.175 8.501 ( 1.838 -0.273 1.459) 2.362 8.701 ( 1.751 0.300 7.694) 7.896 8.728 ( 5.634 -0.972 -7.070) 9.093 8.988 ( -5.280 -0.241 1.899) 5.617 9.366 ( 3.849 -0.374 -3.023) 4.909 9.808 ( -2.565 -0.217 5.351) 5.938 10.351 ( -8.564 0.683 12.108) 14.846 10.654 ( 1.110 0.234 -6.186) 6.290 11.955 ( 3.938 -0.266 -1.678) 4.289 13.922 ( -1.290 -0.147 0.638) 1.446 14.097 ( 0.838 0.082 -1.019) 1.322 14.247 ( -3.943 0.431 1.305) 4.175 14.819 ( -5.562 2.059 -8.336) 10.231 15.893 ( -1.156 -0.000 1.689) 2.046 16.147 ( -0.776 0.454 2.272) 2.443 16.858 ( -2.179 0.703 -1.237) 2.602 17.535 ( 8.903 -0.044 -3.169) 9.450 17.608 ( -0.238 -0.873 3.063) 3.194 18.082 ( 1.968 -1.252 -1.586) 2.821 21.450 ( -1.378 -0.229 2.802) 3.131 21.538 ( -0.546 0.344 7.536) 7.564 22.936 ( -1.143 -0.033 -0.271) 1.175 23.193 ( 3.158 2.696 2.787) 5.000 23.283 ( 0.382 -1.556 -4.065) 4.369 23.428 ( 6.618 -2.276 -5.973) 9.201 23.624 ( -0.759 0.295 0.089) 0.819 23.774 ( 0.624 -0.033 0.004) 0.625 23.884 ( -7.082 -0.856 12.386) 14.293 24.960 ( -0.800 -0.299 0.273) 0.897 25.070 ( -0.595 0.432 2.516) 2.621 25.310 ( 2.447 -0.614 -0.183) 2.530 25.676 ( 4.002 7.409 -1.048) 8.486 25.870 ( -4.587 -6.164 -9.160) 11.956 ======================= Grid point 88 (41/116) ======================= q-point: (-0.14 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -6.902 6.541 -0.364) 9.516 1.013 ( -12.680 -0.373 -1.564) 12.782 1.124 ( -2.854 -0.422 -1.405) 3.209 1.187 ( -4.162 1.886 2.105) 5.031 1.325 ( 3.036 3.034 8.098) 9.165 1.402 ( -1.560 0.645 3.492) 3.879 1.469 ( -4.076 2.213 0.226) 4.644 1.569 ( -3.435 -1.712 1.682) 4.190 1.631 ( -1.703 1.130 4.815) 5.231 1.657 ( 0.412 -0.517 1.016) 1.212 1.694 ( 1.182 0.976 -2.127) 2.622 1.766 ( 2.036 -1.859 -0.369) 2.781 1.785 ( 0.615 0.140 0.364) 0.729 1.859 ( -1.645 -2.325 -2.627) 3.874 1.931 ( -0.587 0.926 -0.659) 1.279 1.988 ( -5.031 -0.134 -0.886) 5.110 2.066 ( -1.535 -6.565 -4.150) 7.917 2.258 ( -1.771 1.534 3.357) 4.093 2.338 ( 5.991 -0.155 -3.697) 7.042 2.514 ( 0.227 3.126 2.028) 3.733 2.598 ( 1.059 -0.977 4.361) 4.593 2.671 ( 1.292 2.395 3.360) 4.324 2.909 ( 7.168 1.530 -4.944) 8.840 2.943 ( 5.812 -0.320 0.594) 5.851 3.024 ( 2.040 -1.879 2.240) 3.566 3.120 ( 2.636 0.491 -2.850) 3.913 3.903 ( -2.941 -0.533 3.096) 4.304 3.998 ( -9.544 -0.596 11.801) 15.190 4.229 ( 7.225 -0.988 -10.656) 12.912 4.738 ( -3.245 -0.496 5.069) 6.039 4.981 ( 11.012 -0.865 -12.949) 17.020 5.210 ( 2.286 0.234 -3.894) 4.522 5.454 ( 0.812 1.742 2.582) 3.219 5.532 ( 6.372 -0.521 -8.342) 10.511 5.716 ( -4.965 -1.078 1.524) 5.305 5.843 ( -1.901 1.041 2.911) 3.629 6.259 ( -3.346 1.139 6.889) 7.743 6.442 ( -2.161 0.974 1.495) 2.803 6.557 ( -4.317 -4.129 -1.477) 6.153 6.730 ( -1.612 3.256 -1.066) 3.787 7.436 ( -0.992 -1.081 2.691) 3.065 8.058 ( -1.129 0.655 0.973) 1.628 8.142 ( -2.638 0.496 -5.597) 6.207 8.358 ( 7.567 1.051 -4.204) 8.720 8.394 ( 3.605 -1.253 -8.900) 9.684 8.561 ( 2.718 -0.415 -0.382) 2.776 8.754 ( 4.244 0.169 1.349) 4.457 8.824 ( -2.137 -1.728 9.406) 9.800 8.946 ( -3.648 0.107 2.877) 4.647 9.391 ( 2.640 -0.893 -2.646) 3.843 9.806 ( -2.893 0.203 1.690) 3.356 10.330 ( -10.413 0.767 10.859) 15.064 10.623 ( 4.252 0.931 -5.193) 6.776 11.972 ( 2.071 -0.096 -3.644) 4.192 13.917 ( -0.673 -0.241 0.908) 1.156 14.101 ( 0.763 0.076 -0.382) 0.857 14.223 ( -1.200 1.361 1.895) 2.623 14.677 ( -1.878 -1.051 -4.276) 4.787 15.894 ( -1.454 -0.287 1.764) 2.304 16.154 ( -0.878 0.909 2.186) 2.525 16.822 ( -0.761 0.280 -0.337) 0.879 17.559 ( 4.875 3.240 -7.587) 9.583 17.652 ( 0.557 -1.850 1.933) 2.733 18.147 ( 2.128 -1.907 3.920) 4.851 21.459 ( -2.089 -0.773 2.702) 3.501 21.620 ( -1.249 1.600 10.750) 10.939 22.906 ( -1.514 -0.856 -1.989) 2.642 23.202 ( -0.683 2.908 -1.365) 3.284 23.263 ( 5.880 1.155 -6.874) 9.119 23.476 ( 4.015 -2.638 -4.172) 6.363 23.614 ( -0.479 0.570 0.525) 0.911 23.780 ( 0.070 -0.225 -0.078) 0.248 23.921 ( -7.586 -0.594 12.288) 14.453 24.951 ( -0.711 -0.390 -0.248) 0.848 25.070 ( -1.759 0.713 1.397) 2.356 25.350 ( 1.825 -0.976 -1.120) 2.353 25.547 ( -2.174 4.893 -4.241) 6.831 25.886 ( 4.340 -4.639 -4.455) 7.759 ======================= Grid point 94 (42/116) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -7.094 0.000 -0.707) 7.129 1.054 ( -10.482 0.000 -8.558) 13.532 1.111 ( -8.108 0.000 6.014) 10.095 1.203 ( -3.693 0.000 -1.877) 4.142 1.381 ( -3.085 0.000 4.893) 5.785 1.418 ( 4.588 -0.000 6.672) 8.097 1.450 ( 0.131 -0.000 7.173) 7.174 1.566 ( -6.670 0.000 -1.189) 6.775 1.582 ( -4.622 0.000 5.487) 7.175 1.679 ( -1.831 0.000 -0.882) 2.032 1.704 ( 0.183 -0.000 -0.267) 0.324 1.750 ( 3.154 -0.000 -2.482) 4.014 1.794 ( 1.495 -0.000 2.435) 2.857 1.833 ( -2.445 0.000 -4.001) 4.689 1.936 ( -3.476 0.000 -1.649) 3.848 1.998 ( -3.254 0.000 2.156) 3.904 2.002 ( 0.349 -0.000 -6.167) 6.177 2.274 ( -4.265 0.000 4.294) 6.052 2.330 ( 7.608 -0.000 -2.937) 8.156 2.528 ( -0.989 0.000 2.441) 2.634 2.599 ( 2.028 -0.000 1.210) 2.362 2.700 ( 3.279 -0.000 4.871) 5.872 2.924 ( 8.336 -0.000 -5.344) 9.901 2.939 ( 6.447 -0.000 0.650) 6.480 3.007 ( 2.167 -0.000 1.772) 2.799 3.122 ( 2.073 -0.000 -1.783) 2.735 3.897 ( -3.595 0.000 4.128) 5.474 3.993 ( -8.773 0.000 10.695) 13.833 4.221 ( 8.049 -0.000 -11.165) 13.764 4.734 ( -3.002 0.000 5.319) 6.108 4.972 ( 10.895 -0.000 -12.422) 16.523 5.212 ( 2.318 -0.000 -3.871) 4.512 5.470 ( 1.384 -0.000 2.474) 2.835 5.527 ( 6.406 -0.000 -8.540) 10.676 5.707 ( -5.174 0.000 0.812) 5.238 5.853 ( -2.992 0.000 3.544) 4.638 6.270 ( -3.681 0.000 7.253) 8.134 6.461 ( -0.154 0.000 -1.019) 1.030 6.507 ( -6.893 0.000 0.821) 6.942 6.762 ( -0.563 0.000 -0.865) 1.033 7.426 ( -0.703 0.000 2.187) 2.298 8.061 ( -1.044 0.000 2.016) 2.270 8.148 ( -3.708 0.000 -6.087) 7.128 8.375 ( 8.480 -0.000 -3.361) 9.122 8.377 ( 3.470 -0.000 -9.702) 10.303 8.558 ( 2.527 -0.000 -1.688) 3.039 8.756 ( 5.252 -0.000 0.969) 5.341 8.806 ( -2.681 0.000 9.832) 10.191 8.946 ( -3.735 0.000 3.468) 5.097 9.381 ( 2.506 -0.000 -2.727) 3.704 9.811 ( -2.234 0.000 1.754) 2.840 10.337 ( -10.712 0.000 10.754) 15.179 10.631 ( 4.131 -0.000 -4.807) 6.338 11.971 ( 2.164 -0.000 -3.516) 4.129 13.915 ( -0.642 0.000 0.849) 1.065 14.102 ( 0.744 -0.000 -0.387) 0.838 14.236 ( -0.927 0.000 2.701) 2.856 14.666 ( -4.572 0.000 -5.952) 7.505 15.892 ( -1.505 0.000 1.626) 2.215 16.162 ( -1.066 0.000 2.547) 2.761 16.824 ( -1.357 0.000 -0.357) 1.403 17.601 ( 7.284 -0.000 -6.598) 9.828 17.625 ( -0.459 0.000 1.524) 1.591 18.129 ( 2.764 -0.000 3.805) 4.703 21.453 ( -2.087 0.000 2.481) 3.242 21.634 ( -0.974 0.000 11.586) 11.627 22.899 ( -1.574 0.000 -2.257) 2.751 23.234 ( -1.292 0.000 -1.949) 2.338 23.271 ( 6.025 -0.000 -5.114) 7.903 23.446 ( 4.814 -0.000 -3.690) 6.066 23.622 ( 0.067 -0.000 0.238) 0.247 23.778 ( 0.065 -0.000 -0.235) 0.243 23.917 ( -6.686 0.000 12.267) 13.971 24.947 ( -0.437 0.000 -0.467) 0.639 25.076 ( -2.088 0.000 1.735) 2.715 25.337 ( 1.784 -0.000 -0.473) 1.846 25.620 ( -5.509 0.000 -8.031) 9.739 25.819 ( 6.816 -0.000 -2.216) 7.167 ======================= Grid point 95 (43/116) ======================= q-point: (-0.14 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -15.488 3.870 -4.719) 16.647 0.775 ( -16.072 -1.983 -0.232) 16.196 1.123 ( -0.423 0.479 2.844) 2.915 1.158 ( -0.588 -1.870 -1.250) 2.325 1.366 ( -5.350 1.707 2.894) 6.318 1.395 ( -6.923 2.083 0.139) 7.231 1.462 ( -4.568 -1.704 0.869) 4.952 1.535 ( -7.419 -1.356 -0.509) 7.559 1.581 ( -1.217 -2.274 0.206) 2.588 1.651 ( -1.034 -0.862 1.540) 2.045 1.700 ( -0.362 2.060 0.081) 2.093 1.754 ( 1.427 -0.265 -1.316) 1.959 1.780 ( -2.912 -1.506 4.451) 5.528 1.852 ( -0.347 -0.388 -1.905) 1.975 1.876 ( 1.742 -0.166 2.676) 3.198 1.972 ( 2.341 1.069 0.251) 2.586 2.008 ( 0.746 -2.960 -0.155) 3.057 2.246 ( -6.008 -0.232 5.044) 7.848 2.361 ( 3.604 1.380 -5.124) 6.415 2.526 ( -2.424 1.525 1.983) 3.483 2.614 ( -1.790 -0.324 1.112) 2.132 2.659 ( -4.204 0.972 0.001) 4.315 2.994 ( 3.022 -0.377 1.564) 3.424 3.003 ( 0.418 0.638 0.845) 1.138 3.112 ( 1.379 0.105 -4.451) 4.661 3.215 ( 16.531 1.543 0.229) 16.604 3.880 ( -4.170 -0.273 3.248) 5.293 3.978 ( -9.416 -0.349 10.832) 14.357 4.204 ( 7.309 -0.034 -12.207) 14.228 4.744 ( -3.925 0.245 5.421) 6.697 5.014 ( 12.129 -0.377 -11.753) 16.893 5.206 ( 3.306 0.117 -4.653) 5.709 5.527 ( 5.353 0.934 -4.621) 7.133 5.543 ( 3.220 0.075 1.708) 3.645 5.639 ( -2.921 -1.524 -2.678) 4.246 5.840 ( -3.630 0.153 4.358) 5.674 6.275 ( -6.212 0.193 7.037) 9.389 6.445 ( -1.053 0.419 1.767) 2.099 6.476 ( -0.524 -2.068 0.158) 2.139 6.768 ( 6.967 2.562 -4.845) 8.864 7.449 ( -1.035 -0.738 3.436) 3.664 7.995 ( -5.072 1.292 -6.220) 8.129 8.035 ( -1.829 -1.048 -3.172) 3.808 8.340 ( 2.596 -0.178 -6.312) 6.828 8.468 ( 6.483 0.084 -0.756) 6.528 8.564 ( 7.409 -0.801 -9.303) 11.920 8.850 ( -5.379 0.451 11.816) 12.991 8.864 ( -4.956 -0.075 14.785) 15.594 8.965 ( 1.836 0.230 2.431) 3.055 9.369 ( -0.757 -0.818 -2.615) 2.842 9.771 ( -3.643 1.313 -1.121) 4.031 10.283 ( -11.069 0.092 9.449) 14.554 10.669 ( 7.585 0.531 -3.976) 8.581 11.942 ( 0.604 0.079 -4.954) 4.991 13.922 ( -0.064 -0.206 1.133) 1.154 14.109 ( 0.587 0.043 -0.144) 0.606 14.261 ( 0.638 2.252 2.528) 3.446 14.587 ( -0.629 -5.732 -3.327) 6.657 15.885 ( -1.925 -0.277 1.700) 2.583 16.172 ( -1.082 0.635 2.531) 2.825 16.813 ( -0.201 -0.485 0.091) 0.533 17.584 ( 3.595 5.624 -5.631) 8.733 17.655 ( 1.632 -2.815 -0.986) 3.400 18.221 ( 2.174 -0.569 4.558) 5.082 21.446 ( -2.855 -0.488 2.542) 3.854 21.770 ( -2.201 2.473 18.870) 19.158 22.850 ( -1.567 -0.529 -2.243) 2.787 23.176 ( -1.277 3.231 -3.791) 5.142 23.263 ( 6.438 -0.936 -12.693) 14.263 23.486 ( 3.213 -0.596 -1.111) 3.452 23.628 ( 0.685 1.040 0.344) 1.292 23.772 ( -0.479 -0.237 -0.432) 0.687 23.950 ( -7.731 0.900 13.267) 15.382 24.939 ( 0.392 -0.120 -0.970) 1.053 25.049 ( -2.925 0.300 0.551) 2.992 25.331 ( -0.707 0.076 -3.066) 3.147 25.507 ( -0.151 0.681 -2.451) 2.549 25.879 ( 5.990 -3.380 -6.789) 9.664 ======================= Grid point 102 (44/116) ======================= q-point: (-0.14 -0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( -18.286 0.000 0.920) 18.309 0.544 ( -18.012 0.000 8.589) 19.954 1.018 ( -24.955 0.000 -4.750) 25.403 1.099 ( -1.645 0.000 -1.949) 2.550 1.229 ( -2.061 0.000 1.738) 2.696 1.328 ( -5.873 0.000 2.357) 6.328 1.346 ( -4.776 0.000 3.546) 5.948 1.454 ( -3.983 0.000 1.973) 4.445 1.582 ( -1.988 0.000 -1.554) 2.523 1.663 ( -1.696 0.000 -2.112) 2.709 1.682 ( 2.669 -0.000 1.416) 3.022 1.775 ( 1.241 -0.000 1.150) 1.693 1.874 ( 1.780 -0.000 6.207) 6.457 1.876 ( -3.693 0.000 2.012) 4.206 1.877 ( 3.538 -0.000 2.456) 4.307 1.964 ( 0.171 -0.000 -2.820) 2.825 2.098 ( 6.509 -0.000 3.699) 7.487 2.229 ( -6.444 0.000 11.718) 13.372 2.352 ( -0.164 0.000 -1.866) 1.873 2.513 ( -1.460 0.000 -0.664) 1.604 2.568 ( -5.074 0.000 0.142) 5.076 2.607 ( -2.900 0.000 -0.084) 2.901 2.966 ( -5.797 0.000 0.473) 5.816 3.060 ( 2.663 -0.000 2.550) 3.687 3.076 ( 3.297 -0.000 -7.815) 8.482 3.367 ( 10.815 -0.000 -16.000) 19.312 3.855 ( -3.479 0.000 2.938) 4.554 3.960 ( -9.985 0.000 12.386) 15.910 4.184 ( 7.430 -0.000 -10.856) 13.155 4.736 ( -4.973 0.000 4.427) 6.658 5.059 ( 12.104 -0.000 -12.687) 17.535 5.207 ( 5.086 -0.000 -6.110) 7.950 5.541 ( 5.736 -0.000 -6.665) 8.793 5.563 ( 0.225 -0.000 -4.952) 4.957 5.629 ( 1.135 -0.000 5.216) 5.338 5.851 ( -3.019 0.000 6.054) 6.765 6.241 ( -7.510 0.000 5.892) 9.546 6.443 ( -1.952 0.000 2.210) 2.948 6.508 ( 3.682 -0.000 0.808) 3.770 6.862 ( 12.606 -0.000 -6.651) 14.253 7.466 ( -1.674 0.000 3.701) 4.062 7.857 ( -5.095 0.000 -5.009) 7.144 7.981 ( -1.282 0.000 -1.353) 1.865 8.306 ( 0.819 -0.000 -4.359) 4.435 8.505 ( 1.836 -0.000 -2.150) 2.827 8.608 ( 13.903 -0.000 -12.278) 18.549 8.862 ( -6.989 0.000 9.060) 11.442 9.018 ( 5.278 -0.000 -1.165) 5.405 9.098 ( -7.155 0.000 42.970) 43.562 9.305 ( -2.202 0.000 -3.382) 4.035 9.663 ( -8.150 0.000 -6.091) 10.175 10.241 ( -9.241 0.000 12.156) 15.270 10.750 ( 8.455 -0.000 -4.271) 9.472 11.891 ( 0.365 -0.000 -5.012) 5.025 13.934 ( 0.028 -0.000 1.224) 1.224 14.114 ( 0.371 -0.000 -0.392) 0.540 14.319 ( 1.295 -0.000 2.015) 2.395 14.509 ( 0.213 -0.000 -3.090) 3.098 15.873 ( -2.108 0.000 1.878) 2.823 16.190 ( -0.532 0.000 2.420) 2.478 16.811 ( 0.089 -0.000 0.101) 0.134 17.623 ( 6.364 -0.000 -12.226) 13.783 17.625 ( -1.660 0.000 2.158) 2.723 18.281 ( 1.179 -0.000 1.248) 1.716 21.427 ( -3.095 0.000 2.705) 4.111 22.056 ( 1.629 -0.000 32.932) 32.972 22.811 ( -1.139 0.000 -0.565) 1.271 23.116 ( 3.032 -0.000 -25.472) 25.652 23.147 ( -1.565 0.000 -1.639) 2.266 23.521 ( 2.795 -0.000 -1.255) 3.064 23.657 ( 1.579 -0.000 1.151) 1.954 23.757 ( -0.553 0.000 -0.611) 0.824 24.023 ( -6.951 0.000 21.089) 22.205 24.939 ( 1.245 -0.000 -1.064) 1.638 25.008 ( -2.791 0.000 0.113) 2.793 25.277 ( -0.696 0.000 -3.703) 3.768 25.508 ( 1.433 -0.000 -0.573) 1.543 25.807 ( 2.473 -0.000 -16.399) 16.585 ======================= Grid point 103 (45/116) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -1.592 0.000 16.382) 16.459 0.787 ( 7.594 -0.000 15.982) 17.695 1.225 ( -3.114 0.000 -0.672) 3.186 1.272 ( -0.459 0.000 5.648) 5.667 1.289 ( -4.199 0.000 0.059) 4.199 1.359 ( -1.326 0.000 0.485) 1.412 1.458 ( -0.762 0.000 7.529) 7.568 1.492 ( 4.238 -0.000 -0.742) 4.302 1.533 ( -3.381 0.000 20.839) 21.112 1.638 ( -0.267 0.000 1.959) 1.977 1.681 ( -1.723 0.000 -3.193) 3.628 1.753 ( -3.765 0.000 0.398) 3.786 1.783 ( -2.424 0.000 -4.084) 4.749 1.881 ( -4.880 0.000 0.510) 4.907 1.942 ( 1.225 -0.000 0.006) 1.225 2.007 ( -0.237 0.000 0.108) 0.260 2.024 ( 4.460 -0.000 -13.901) 14.599 2.182 ( -3.516 0.000 -3.965) 5.299 2.411 ( -13.714 0.000 9.184) 16.505 2.535 ( 2.505 -0.000 3.025) 3.928 2.560 ( -1.926 0.000 -3.906) 4.355 2.688 ( -0.840 0.000 6.932) 6.982 2.810 ( 5.910 -0.000 -11.595) 13.014 2.812 ( 1.145 -0.000 2.473) 2.726 2.969 ( 1.825 -0.000 -0.673) 1.945 3.115 ( -0.186 0.000 -2.294) 2.301 3.899 ( 0.320 -0.000 1.730) 1.759 4.011 ( 13.017 -0.000 -11.663) 17.478 4.354 ( -12.642 0.000 20.722) 24.274 4.734 ( 11.144 -0.000 -16.876) 20.224 4.843 ( -0.259 0.000 4.443) 4.450 5.115 ( 8.474 -0.000 -10.729) 13.672 5.402 ( 1.828 -0.000 -5.364) 5.667 5.495 ( -0.687 0.000 0.272) 0.739 5.801 ( -5.163 0.000 5.559) 7.587 5.953 ( -4.384 0.000 5.776) 7.251 6.216 ( -0.224 0.000 -0.688) 0.724 6.444 ( 0.955 -0.000 -0.538) 1.096 6.626 ( 1.393 -0.000 0.915) 1.667 7.019 ( 7.443 -0.000 -6.148) 9.654 7.559 ( -4.539 0.000 4.633) 6.487 7.836 ( 1.297 -0.000 7.424) 7.537 7.988 ( 0.560 -0.000 -0.745) 0.932 8.188 ( 9.782 -0.000 -9.128) 13.379 8.437 ( 1.548 -0.000 -9.173) 9.303 8.465 ( 4.635 -0.000 6.027) 7.603 8.784 ( -12.162 0.000 0.958) 12.200 8.786 ( -8.762 0.000 2.645) 9.153 9.202 ( 3.566 -0.000 -2.390) 4.292 9.261 ( -10.543 0.000 7.328) 12.840 9.878 ( 4.507 -0.000 -4.641) 6.470 10.567 ( 5.144 -0.000 -13.615) 14.555 10.868 ( -18.924 0.000 12.903) 22.904 11.800 ( 7.681 -0.000 -5.293) 9.328 13.975 ( -1.487 0.000 1.433) 2.065 14.078 ( 0.128 -0.000 -1.543) 1.548 14.369 ( -5.198 0.000 0.627) 5.236 14.445 ( 4.191 -0.000 -2.562) 4.912 15.938 ( -2.576 0.000 4.298) 5.011 16.106 ( -0.766 0.000 1.288) 1.499 16.805 ( -0.713 0.000 0.329) 0.785 17.196 ( 11.842 -0.000 -6.201) 13.367 17.780 ( -3.401 0.000 7.434) 8.175 18.215 ( 1.670 -0.000 -2.788) 3.250 21.526 ( -3.005 0.000 6.396) 7.067 21.628 ( -10.155 0.000 4.732) 11.204 22.940 ( -0.517 0.000 5.738) 5.762 23.026 ( 2.670 -0.000 -3.773) 4.622 23.193 ( 3.571 -0.000 -8.074) 8.829 23.464 ( 2.822 -0.000 -4.811) 5.577 23.736 ( -2.074 0.000 0.551) 2.146 23.744 ( 1.180 -0.000 0.013) 1.180 24.579 ( -20.310 0.000 3.605) 20.627 24.972 ( 2.706 -0.000 -0.004) 2.706 25.034 ( -0.679 0.000 2.581) 2.669 25.173 ( 3.534 -0.000 -3.670) 5.095 25.513 ( 0.496 -0.000 -0.275) 0.567 25.763 ( 14.477 -0.000 -4.833) 15.262 ======================= Grid point 104 (46/116) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 3.376 -0.130 14.786) 15.168 1.047 ( 2.887 -2.480 6.181) 7.259 1.153 ( -3.933 -2.474 0.561) 4.681 1.255 ( -1.570 0.704 1.352) 2.189 1.306 ( -2.161 -1.559 -2.018) 3.343 1.372 ( 2.125 -1.693 4.130) 4.943 1.466 ( -0.155 0.910 2.341) 2.516 1.545 ( 2.686 -0.459 -1.994) 3.377 1.607 ( -4.491 -1.109 -1.040) 4.741 1.618 ( -2.625 -0.148 -0.662) 2.712 1.706 ( -0.019 -1.455 -3.957) 4.216 1.752 ( 2.145 1.485 1.413) 2.967 1.778 ( -4.362 -0.644 -4.908) 6.597 1.833 ( 5.327 -1.235 17.485) 18.320 1.962 ( 0.378 0.013 1.741) 1.781 1.975 ( 5.195 -1.819 -8.347) 9.999 2.007 ( 2.208 1.448 -1.744) 3.165 2.110 ( -0.651 -0.999 -2.588) 2.850 2.353 ( -8.914 -0.647 11.018) 14.187 2.492 ( -2.726 3.124 -0.041) 4.146 2.596 ( 2.263 1.032 1.763) 3.049 2.741 ( 1.749 0.969 2.407) 3.129 2.765 ( 3.312 -2.950 -9.692) 10.659 2.858 ( -0.876 1.809 5.288) 5.657 2.984 ( 2.415 -0.594 -3.209) 4.060 3.084 ( 0.098 0.419 -2.256) 2.297 3.925 ( -0.149 -0.257 2.123) 2.144 4.050 ( 11.133 1.132 -13.223) 17.322 4.399 ( -13.574 0.588 22.424) 26.219 4.706 ( 10.687 0.316 -16.831) 19.939 4.865 ( -2.074 1.190 3.764) 4.460 5.114 ( 7.361 1.083 -9.648) 12.184 5.370 ( 1.458 -0.547 -4.509) 4.771 5.462 ( -1.858 0.446 -1.300) 2.311 5.808 ( -3.375 -2.157 5.529) 6.827 5.936 ( -5.791 1.158 5.476) 8.054 6.217 ( 0.482 -1.088 -0.283) 1.223 6.467 ( 1.696 -0.234 0.522) 1.790 6.637 ( -3.271 -1.765 2.074) 4.256 6.967 ( -2.377 1.659 -7.458) 8.002 7.541 ( -3.944 0.584 4.096) 5.716 7.952 ( 5.317 0.050 2.985) 6.097 8.009 ( 0.942 -2.463 0.305) 2.655 8.306 ( 5.802 0.540 2.316) 6.271 8.329 ( 7.949 0.073 -14.784) 16.786 8.474 ( -2.051 1.149 -5.985) 6.430 8.668 ( -4.810 0.935 0.557) 4.932 8.836 ( 1.576 0.222 13.623) 13.716 9.177 ( -7.936 1.580 5.526) 9.799 9.245 ( 3.122 -2.308 -2.538) 4.638 9.879 ( 2.492 1.261 -3.287) 4.314 10.484 ( 4.314 -0.550 -13.212) 13.910 10.737 ( -18.990 1.249 16.922) 25.466 11.850 ( 6.864 -0.124 -5.731) 8.943 13.966 ( -1.701 0.106 1.331) 2.163 14.069 ( 0.916 0.164 -1.177) 1.500 14.289 ( -5.423 -0.308 -0.001) 5.432 14.516 ( 4.817 -4.694 -1.870) 6.981 15.949 ( -2.276 0.051 4.176) 4.757 16.120 ( -0.155 -0.753 1.459) 1.649 16.801 ( -0.795 -0.825 0.445) 1.229 17.277 ( 10.590 -0.421 -10.466) 14.895 17.801 ( -3.840 1.357 6.718) 7.856 18.202 ( 1.125 2.310 -0.834) 2.702 21.559 ( -2.621 0.568 6.819) 7.328 21.601 ( -3.808 -0.712 7.162) 8.142 22.972 ( -0.430 0.279 1.080) 1.196 23.062 ( 3.853 -0.634 0.650) 3.959 23.130 ( 1.747 -0.610 -9.990) 10.160 23.441 ( 2.259 0.320 -5.654) 6.097 23.700 ( -2.425 0.995 0.319) 2.641 23.765 ( 1.203 -0.025 0.364) 1.257 24.350 ( -16.454 4.159 9.286) 19.346 25.004 ( 0.325 0.375 1.130) 1.234 25.055 ( -0.171 -0.201 2.203) 2.218 25.201 ( 4.438 -2.434 -4.129) 6.532 25.522 ( 1.553 1.360 0.326) 2.090 25.831 ( 5.200 -1.691 -8.727) 10.298 ======================= Grid point 105 (47/116) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -3.543 1.890 -1.666) 4.347 1.128 ( 2.931 0.114 3.330) 4.438 1.129 ( -6.260 -2.761 0.738) 6.881 1.239 ( -1.385 -0.864 -0.522) 1.714 1.314 ( 0.485 -2.125 4.315) 4.835 1.437 ( -2.391 -0.090 4.449) 5.052 1.494 ( -2.878 -4.192 1.174) 5.219 1.536 ( -1.312 1.596 1.072) 2.328 1.579 ( 0.147 -1.456 -1.163) 1.869 1.585 ( -0.906 -3.759 1.650) 4.203 1.680 ( -1.023 -1.353 -3.644) 4.019 1.703 ( 2.536 -2.723 -2.748) 4.626 1.788 ( 2.309 1.662 -0.112) 2.847 1.949 ( -0.124 1.613 1.380) 2.127 1.981 ( 1.021 3.679 -0.844) 3.910 2.006 ( 0.048 -2.222 0.493) 2.276 2.077 ( 5.253 -0.792 0.113) 5.314 2.164 ( 5.466 -3.246 0.785) 6.406 2.407 ( -5.574 0.327 10.053) 11.499 2.437 ( -1.549 0.386 5.651) 5.872 2.629 ( 2.961 1.610 -0.349) 3.388 2.745 ( 3.469 -1.366 -4.796) 6.075 2.780 ( -1.638 1.339 4.983) 5.414 2.881 ( 2.242 1.389 1.508) 3.038 2.983 ( 2.949 -1.528 -5.408) 6.346 3.073 ( 1.694 1.442 -0.044) 2.225 3.940 ( -1.352 -0.529 1.924) 2.410 4.027 ( 8.537 1.769 -14.616) 17.018 4.424 ( -15.111 2.068 21.469) 26.335 4.680 ( 10.565 0.098 -15.271) 18.570 4.849 ( -2.403 1.058 1.161) 2.871 5.108 ( 5.123 0.694 -6.391) 8.220 5.367 ( 3.422 -0.682 -3.159) 4.707 5.424 ( 0.856 0.054 -3.319) 3.428 5.851 ( -1.948 -2.708 5.094) 6.089 5.885 ( -6.527 2.116 4.343) 8.120 6.243 ( 1.960 -1.991 -0.605) 2.859 6.497 ( -0.190 0.187 2.224) 2.240 6.612 ( -5.062 -2.759 1.929) 6.080 6.787 ( -6.821 2.388 -7.913) 10.717 7.531 ( -1.982 1.585 3.984) 4.723 8.021 ( -1.373 -3.011 0.006) 3.310 8.065 ( 5.447 -1.778 -2.570) 6.280 8.184 ( 1.335 0.167 -11.851) 11.927 8.355 ( -0.207 2.846 -6.850) 7.421 8.546 ( 10.960 -0.651 5.492) 12.276 8.616 ( 2.040 3.282 -2.363) 4.529 9.003 ( -0.968 1.779 13.468) 13.620 9.125 ( -8.693 -1.297 8.926) 12.527 9.293 ( 6.234 -0.924 -3.774) 7.346 9.859 ( 0.060 1.703 -1.662) 2.380 10.427 ( 6.003 -1.621 -11.790) 13.329 10.658 ( -16.997 -0.288 16.875) 23.953 11.869 ( 4.992 -0.170 -7.059) 8.648 13.956 ( -1.431 0.443 1.528) 2.140 14.076 ( 1.408 -0.010 -0.768) 1.604 14.229 ( -3.882 -1.750 0.645) 4.307 14.604 ( 5.402 -1.899 -1.399) 5.894 15.959 ( -2.341 0.294 3.778) 4.454 16.142 ( -0.266 -1.408 1.313) 1.943 16.805 ( -0.427 -0.909 0.537) 1.139 17.290 ( 7.332 -1.875 -12.040) 14.220 17.793 ( -3.965 2.783 5.596) 7.402 18.204 ( 2.078 2.327 0.661) 3.189 21.579 ( -3.012 1.984 6.316) 7.273 21.670 ( -1.149 -2.741 8.696) 9.190 22.949 ( -1.103 1.806 -1.819) 2.790 23.049 ( 1.514 -2.203 -9.324) 9.700 23.146 ( 3.415 -1.013 1.960) 4.066 23.405 ( 2.115 -0.342 -6.299) 6.653 23.662 ( -2.137 0.950 0.612) 2.417 23.783 ( 0.710 0.240 0.316) 0.813 24.230 ( -12.384 2.065 11.769) 17.209 24.994 ( -1.440 1.648 0.386) 2.222 25.074 ( -1.236 -1.431 1.448) 2.382 25.244 ( 3.819 -3.064 -4.011) 6.329 25.539 ( 3.067 4.167 0.223) 5.179 25.800 ( 2.699 -1.928 -8.161) 8.809 ======================= Grid point 106 (48/116) ======================= q-point: (-0.57 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -5.758 1.520 -1.839) 6.232 1.030 ( -9.612 -0.962 1.203) 9.734 1.119 ( -2.118 0.935 0.876) 2.475 1.249 ( -0.448 2.210 1.466) 2.690 1.399 ( -2.655 -2.308 3.539) 4.990 1.423 ( -2.357 -2.946 5.024) 6.283 1.500 ( 0.351 -3.398 -1.156) 3.606 1.525 ( -2.434 -0.080 2.170) 3.262 1.612 ( 1.216 -0.223 0.416) 1.304 1.625 ( 1.327 -2.025 0.503) 2.472 1.690 ( 2.254 -2.445 -0.998) 3.472 1.766 ( 2.606 -2.535 0.390) 3.656 1.806 ( 1.935 0.678 0.772) 2.191 1.915 ( 0.194 4.981 -0.160) 4.987 1.948 ( -4.804 0.975 -1.912) 5.262 2.016 ( -2.131 1.058 6.345) 6.776 2.139 ( 1.382 -0.280 0.326) 1.447 2.174 ( -0.033 0.811 -3.376) 3.472 2.404 ( -6.149 -2.127 9.501) 11.516 2.493 ( -3.749 -1.509 3.093) 5.089 2.644 ( -1.074 -1.442 -0.457) 1.855 2.756 ( -5.666 2.474 5.512) 8.283 2.846 ( 11.923 0.391 -1.318) 12.002 2.937 ( 4.074 0.264 -2.785) 4.942 2.999 ( 3.397 -3.517 -2.217) 5.369 3.127 ( 6.668 2.925 2.224) 7.614 3.935 ( -2.692 -0.658 1.414) 3.111 3.964 ( 7.554 1.047 -15.002) 16.829 4.389 ( -14.818 2.904 16.797) 22.587 4.691 ( 10.077 -0.581 -10.831) 14.805 4.804 ( -0.752 -0.067 -4.042) 4.112 5.115 ( 2.314 -0.463 -2.427) 3.385 5.387 ( 3.969 0.227 -4.862) 6.280 5.437 ( 5.828 -0.877 -2.997) 6.612 5.799 ( -7.626 2.564 2.573) 8.447 5.898 ( -1.969 -1.887 4.861) 5.574 6.290 ( 3.450 -1.668 -1.305) 4.048 6.505 ( -1.787 0.231 2.190) 2.836 6.566 ( -5.250 1.225 -1.661) 5.641 6.611 ( -2.644 -2.431 -4.403) 5.682 7.544 ( -0.887 1.894 4.466) 4.931 7.973 ( -4.873 -2.396 -4.177) 6.851 8.033 ( -1.649 -0.341 -4.213) 4.537 8.192 ( 11.576 -2.052 -10.478) 15.748 8.287 ( 1.589 2.493 -3.802) 4.816 8.565 ( 0.871 3.681 -1.794) 4.186 8.793 ( 10.301 0.438 5.720) 11.791 9.060 ( -5.081 1.756 9.869) 11.238 9.155 ( -6.940 -2.999 14.046) 15.951 9.348 ( 3.247 0.081 -1.213) 3.467 9.813 ( -2.636 1.408 -0.900) 3.121 10.437 ( 9.427 -1.805 -9.621) 13.591 10.598 ( -15.841 -0.960 15.057) 21.876 11.846 ( 3.269 -0.276 -8.319) 8.942 13.953 ( -0.817 0.594 1.815) 2.077 14.089 ( 1.257 -0.071 -0.695) 1.438 14.221 ( -1.879 -3.039 1.968) 4.079 14.666 ( 6.250 3.904 -1.826) 7.593 15.958 ( -2.703 0.491 3.422) 4.388 16.163 ( -0.364 -1.669 0.925) 1.943 16.815 ( 0.241 -0.334 0.582) 0.713 17.275 ( 5.226 -4.454 -11.392) 13.301 17.770 ( -3.265 3.144 4.615) 6.469 18.234 ( 2.820 1.161 0.023) 3.050 21.575 ( -3.913 2.572 5.555) 7.266 21.802 ( -0.082 -5.578 10.400) 11.801 22.883 ( -1.547 1.401 -2.809) 3.500 23.000 ( 0.311 -2.354 -6.106) 6.551 23.203 ( 2.419 0.853 -0.668) 2.651 23.382 ( 2.920 -2.141 -5.523) 6.604 23.640 ( -1.547 0.142 1.248) 1.993 23.786 ( -0.091 0.597 -0.100) 0.612 24.195 ( -10.296 -0.401 13.108) 16.673 24.954 ( -1.194 1.770 -1.034) 2.373 25.069 ( -2.360 -1.503 0.352) 2.820 25.263 ( 1.574 -1.952 -3.861) 4.604 25.536 ( 1.996 5.032 -0.933) 5.493 25.789 ( 5.571 -0.523 -6.487) 8.567 ======================= Grid point 107 (49/116) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -8.163 3.210 4.136) 9.697 0.930 ( -11.062 1.544 10.255) 15.163 1.098 ( -1.750 -0.711 0.136) 1.894 1.237 ( -0.033 2.949 1.552) 3.332 1.362 ( -5.373 1.730 2.520) 6.182 1.475 ( -3.683 -2.655 1.354) 4.737 1.495 ( -5.934 0.753 3.537) 6.949 1.538 ( 0.751 -2.494 -0.123) 2.607 1.592 ( -3.489 4.284 1.989) 5.872 1.654 ( -1.433 -0.574 0.236) 1.561 1.705 ( 1.171 -2.017 -2.037) 3.096 1.753 ( -2.059 1.630 1.568) 3.058 1.835 ( -2.962 -0.006 2.835) 4.100 1.871 ( 0.709 0.091 2.016) 2.139 1.913 ( 2.379 1.160 -0.510) 2.695 2.065 ( 1.250 2.011 3.635) 4.339 2.091 ( -2.056 2.264 2.620) 4.027 2.234 ( 4.035 -4.684 -1.285) 6.315 2.427 ( -8.782 -0.908 9.242) 12.781 2.463 ( -2.221 -3.925 -0.104) 4.511 2.623 ( -2.051 -0.925 -0.544) 2.315 2.700 ( -5.711 2.056 4.085) 7.316 2.923 ( 0.763 -0.240 -4.573) 4.643 2.988 ( 8.796 -0.368 -2.701) 9.208 3.042 ( -1.035 -1.702 0.379) 2.028 3.226 ( 6.350 4.527 -0.478) 7.813 3.902 ( 0.230 -0.833 -3.577) 3.680 3.925 ( 4.832 -1.132 -9.009) 10.286 4.336 ( -13.581 1.638 15.869) 20.951 4.731 ( 8.163 -0.639 -8.335) 11.684 4.749 ( 3.423 -1.032 -9.377) 10.035 5.118 ( -0.172 -0.879 -1.200) 1.497 5.393 ( 5.060 0.128 -5.202) 7.258 5.500 ( 6.492 0.548 -5.238) 8.360 5.703 ( -4.432 2.181 3.156) 5.862 5.933 ( -2.346 -1.217 4.865) 5.537 6.313 ( 1.299 1.248 -3.095) 3.581 6.470 ( 2.390 -1.798 -4.006) 4.999 6.526 ( -3.799 -0.593 4.226) 5.713 6.604 ( 4.677 -1.381 -3.723) 6.135 7.565 ( -1.559 1.784 5.069) 5.596 7.870 ( -4.005 -0.929 -3.312) 5.279 7.988 ( -1.417 -0.956 -0.787) 1.882 8.242 ( 8.671 -0.994 -11.846) 14.714 8.262 ( 3.740 0.271 -4.769) 6.066 8.533 ( 2.484 4.311 -2.377) 5.514 8.964 ( 4.811 0.040 4.720) 6.740 9.067 ( -5.701 1.521 8.599) 10.429 9.294 ( -2.571 -3.453 11.075) 11.883 9.350 ( -3.855 -3.158 8.548) 9.894 9.730 ( -6.200 0.908 -0.935) 6.335 10.498 ( 3.192 -1.243 -1.500) 3.740 10.561 ( -6.083 -1.356 9.298) 11.193 11.795 ( 2.772 -0.435 -8.845) 9.279 13.961 ( -0.314 0.549 1.966) 2.066 14.096 ( 0.820 -0.092 -1.050) 1.335 14.264 ( 0.136 -3.023 3.313) 4.487 14.677 ( 7.285 10.450 -3.836) 13.304 15.948 ( -3.050 0.537 3.416) 4.611 16.177 ( -0.350 -1.540 0.107) 1.583 16.827 ( 0.647 0.810 0.424) 1.120 17.271 ( 3.833 -7.281 -10.844) 13.613 17.749 ( -2.821 2.828 4.140) 5.752 18.253 ( 2.111 0.125 -2.780) 3.493 21.548 ( -4.740 2.147 5.080) 7.272 21.981 ( 0.267 -10.458 7.781) 13.037 22.838 ( -1.123 0.438 0.213) 1.224 22.960 ( -0.890 -0.787 -1.718) 2.089 23.183 ( 0.844 2.448 -3.907) 4.687 23.404 ( 3.713 -2.923 -4.234) 6.345 23.645 ( -0.747 -1.045 2.285) 2.621 23.769 ( -0.651 0.783 -0.720) 1.247 24.223 ( -9.319 -3.886 15.577) 18.563 24.918 ( 0.687 1.236 -1.990) 2.441 25.040 ( -2.807 -0.934 -0.217) 2.966 25.243 ( 0.720 -0.016 -3.608) 3.679 25.498 ( -1.144 1.615 -1.631) 2.564 25.807 ( 8.768 6.170 -6.934) 12.768 ======================= Grid point 108 (50/116) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -8.499 5.511 8.556) 13.259 0.843 ( -15.583 7.305 8.525) 19.206 1.086 ( -4.690 -1.389 9.027) 10.267 1.233 ( -0.290 4.455 3.884) 5.918 1.266 ( -8.033 2.145 7.579) 11.251 1.396 ( -6.296 2.171 3.508) 7.527 1.467 ( -4.099 -1.696 2.446) 5.066 1.486 ( -4.757 2.569 2.033) 5.776 1.584 ( -2.684 3.488 -0.251) 4.408 1.607 ( -0.084 -2.338 -0.591) 2.413 1.738 ( -0.075 2.259 1.602) 2.771 1.795 ( 0.490 -5.406 4.276) 6.910 1.839 ( -1.479 -1.279 2.242) 2.975 1.901 ( 0.501 0.299 0.750) 0.951 1.926 ( 0.981 0.330 -1.519) 1.838 2.036 ( -1.640 4.260 1.898) 4.944 2.147 ( 4.129 0.022 -0.883) 4.223 2.299 ( -0.207 -3.823 -0.352) 3.844 2.379 ( -3.520 -4.598 -0.542) 5.816 2.511 ( -2.431 -3.153 5.938) 7.149 2.587 ( -2.940 -0.895 0.197) 3.080 2.675 ( -2.368 1.613 6.467) 7.074 2.859 ( -3.234 -1.837 -5.062) 6.281 2.997 ( -4.009 0.560 -1.622) 4.361 3.052 ( 3.529 1.066 -4.369) 5.716 3.175 ( -0.888 7.542 -4.188) 8.672 3.885 ( -1.442 -0.616 0.516) 1.651 3.921 ( 8.137 -2.513 -11.876) 14.614 4.315 ( -12.947 0.636 17.235) 21.565 4.722 ( 3.760 -1.749 -5.558) 6.934 4.757 ( 9.679 -0.190 -12.206) 15.579 5.105 ( 1.080 -0.822 -3.021) 3.311 5.423 ( 5.015 0.001 -3.105) 5.898 5.475 ( 2.852 2.621 -6.604) 7.656 5.739 ( 1.539 0.206 5.885) 6.086 5.952 ( -2.678 -0.458 3.784) 4.658 6.269 ( 0.060 1.140 -3.157) 3.357 6.487 ( -1.156 -0.987 -1.382) 2.054 6.537 ( 2.362 0.902 2.055) 3.258 6.703 ( 13.481 -1.517 -5.116) 14.499 7.576 ( -2.932 1.536 5.250) 6.207 7.806 ( -3.509 -0.702 0.465) 3.609 7.988 ( -0.711 -1.098 1.536) 2.017 8.226 ( 5.534 -0.898 -9.628) 11.141 8.266 ( 5.438 0.190 -7.134) 8.972 8.513 ( 3.517 3.218 -3.642) 5.999 9.043 ( -0.416 -0.213 3.134) 3.169 9.048 ( -9.775 -0.091 8.033) 12.653 9.230 ( -1.626 1.493 -5.167) 5.619 9.540 ( -17.152 -10.092 7.335) 21.209 9.656 ( 6.568 -0.296 8.016) 10.367 10.556 ( 0.692 -4.669 5.400) 7.172 10.651 ( 0.832 -3.103 10.245) 10.737 11.753 ( 4.197 -0.444 -8.026) 9.068 13.974 ( -0.343 0.538 1.784) 1.895 14.092 ( 0.441 -0.342 -1.380) 1.489 14.342 ( 1.606 -1.574 4.152) 4.722 14.618 ( 7.555 16.201 -7.032) 19.209 15.937 ( -3.155 0.411 3.724) 4.898 16.175 ( -0.800 -1.079 -1.477) 1.996 16.828 ( 0.620 1.768 0.059) 1.875 17.234 ( -0.153 -5.938 -12.541) 13.877 17.731 ( -3.423 1.771 5.044) 6.348 18.231 ( 0.868 -0.743 -4.767) 4.902 21.520 ( -4.686 1.146 5.227) 7.113 22.054 ( -6.881 -11.464 -7.919) 15.540 22.848 ( -0.568 0.841 3.771) 3.905 23.007 ( 2.543 -2.049 7.372) 8.062 23.127 ( 1.561 2.829 -3.809) 4.995 23.434 ( 3.763 -2.385 -4.323) 6.208 23.688 ( 0.206 -2.387 3.270) 4.054 23.745 ( -0.320 0.570 -0.977) 1.176 24.380 ( -5.291 -15.048 21.506) 26.776 24.913 ( 2.835 0.659 -2.120) 3.601 25.004 ( -2.152 -0.081 -0.032) 2.154 25.217 ( 1.591 1.426 -2.558) 3.333 25.445 ( -3.650 -1.118 -0.860) 3.913 25.758 ( 8.858 16.994 -8.982) 21.165 ======================= Grid point 109 (51/116) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -5.327 7.501 13.415) 16.267 0.634 ( -12.174 2.964 12.436) 17.654 1.210 ( -0.232 -0.678 11.294) 11.317 1.243 ( -2.133 1.919 5.800) 6.471 1.282 ( -6.057 2.162 17.676) 18.809 1.346 ( -1.355 1.318 2.212) 2.909 1.386 ( -6.911 2.584 2.097) 7.671 1.475 ( -2.006 -2.422 0.393) 3.169 1.517 ( -2.371 2.314 1.457) 3.619 1.621 ( -0.259 -1.216 0.552) 1.360 1.724 ( -0.156 1.084 -1.351) 1.739 1.817 ( -5.508 -2.597 0.731) 6.134 1.859 ( -2.153 -1.214 -1.266) 2.777 1.902 ( -2.386 0.295 2.956) 3.810 1.916 ( 2.533 1.268 0.268) 2.845 2.012 ( -0.747 2.125 1.648) 2.791 2.128 ( 2.954 0.088 -12.099) 12.455 2.266 ( -2.918 -1.107 -2.328) 3.893 2.435 ( -0.572 -5.921 3.749) 7.032 2.518 ( -4.103 0.764 2.554) 4.893 2.600 ( -4.079 -5.402 6.507) 9.389 2.696 ( -4.462 -0.150 -2.817) 5.279 2.796 ( 2.495 -1.691 -2.242) 3.756 2.839 ( -3.991 4.015 -4.816) 7.432 2.983 ( 1.725 6.515 -2.377) 7.147 3.131 ( -0.471 0.362 0.534) 0.798 3.883 ( -0.322 -0.060 1.064) 1.113 3.947 ( 11.210 -1.051 -11.372) 16.003 4.322 ( -12.627 0.252 18.781) 22.633 4.748 ( 10.999 -0.724 -15.374) 18.917 4.777 ( 2.609 -1.167 1.758) 3.356 5.105 ( 5.759 -0.975 -7.574) 9.565 5.430 ( 2.832 1.356 -5.357) 6.210 5.471 ( 3.168 -0.201 -0.411) 3.201 5.807 ( -2.363 0.704 6.210) 6.681 5.949 ( -3.188 -0.095 4.022) 5.133 6.235 ( 0.010 0.565 -1.848) 1.933 6.455 ( -1.636 0.034 -0.284) 1.661 6.586 ( 4.332 2.085 -0.232) 4.813 6.889 ( 15.393 -1.420 -4.522) 16.106 7.572 ( -3.972 0.778 5.058) 6.478 7.784 ( -3.243 -0.232 4.460) 5.520 7.997 ( -0.427 -0.319 -0.193) 0.567 8.197 ( 7.804 -0.603 -14.319) 16.319 8.315 ( 3.858 -0.525 4.836) 6.208 8.493 ( 3.231 1.819 -5.869) 6.942 8.933 ( -13.206 -0.965 2.748) 13.524 8.983 ( -10.941 0.358 -0.459) 10.956 9.182 ( 2.195 0.071 -2.751) 3.520 9.363 ( -15.671 -1.076 6.580) 17.030 9.833 ( 6.387 -2.583 -2.143) 7.215 10.612 ( 7.391 -1.090 -11.239) 13.496 10.884 ( -6.836 -10.717 16.927) 21.169 11.756 ( 6.570 -0.010 -6.347) 9.135 13.979 ( -0.945 0.443 1.532) 1.853 14.088 ( 0.286 -0.964 -1.372) 1.701 14.401 ( -1.001 -0.275 2.733) 2.923 14.490 ( 4.443 14.131 -6.421) 16.145 15.933 ( -2.959 0.179 4.101) 5.060 16.132 ( -2.641 0.132 -1.269) 2.933 16.817 ( -0.159 1.583 -0.059) 1.592 17.134 ( 2.083 -0.784 -6.294) 6.676 17.744 ( -3.256 -0.239 7.142) 7.853 18.213 ( 1.886 -1.741 -3.718) 4.518 21.511 ( -3.928 0.353 5.770) 6.989 21.823 ( -16.189 -3.024 -5.621) 17.402 22.884 ( -0.435 0.666 5.404) 5.463 23.049 ( 0.590 0.048 -3.815) 3.861 23.181 ( 6.288 -0.145 -1.859) 6.559 23.460 ( 3.692 -1.313 -4.154) 5.711 23.734 ( 0.466 0.106 -0.523) 0.708 23.738 ( -0.489 -1.602 1.787) 2.449 24.707 ( -9.420 -25.292 7.418) 27.990 24.941 ( 3.626 0.756 -1.850) 4.140 24.998 ( 0.620 -1.303 2.220) 2.648 25.197 ( 1.224 3.601 -3.204) 4.973 25.445 ( 3.431 -2.801 4.277) 6.157 25.639 ( 11.084 20.903 -3.884) 23.977 ======================= Grid point 111 (52/116) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -2.498 0.000 -6.112) 6.603 1.108 ( 8.057 -0.000 9.586) 12.522 1.113 ( -5.471 0.000 0.133) 5.473 1.230 ( -1.495 0.000 -3.268) 3.594 1.291 ( 0.418 -0.000 3.499) 3.524 1.432 ( -2.471 0.000 2.969) 3.862 1.478 ( -5.945 0.000 5.465) 8.075 1.529 ( -0.809 0.000 1.761) 1.938 1.563 ( 2.785 -0.000 -2.118) 3.498 1.564 ( -4.268 0.000 3.141) 5.299 1.666 ( -0.869 0.000 -5.197) 5.269 1.674 ( 2.314 -0.000 -3.326) 4.052 1.804 ( 2.333 -0.000 -1.139) 2.596 1.973 ( 2.084 -0.000 -1.527) 2.584 1.976 ( -1.668 0.000 5.895) 6.127 2.019 ( 2.243 -0.000 -0.187) 2.251 2.081 ( 2.492 -0.000 -3.403) 4.217 2.113 ( 7.068 -0.000 3.318) 7.808 2.398 ( -3.009 0.000 12.533) 12.890 2.460 ( -3.894 0.000 1.905) 4.335 2.642 ( 0.506 -0.000 0.993) 1.115 2.736 ( 7.387 -0.000 -5.316) 9.101 2.787 ( -0.849 0.000 3.601) 3.700 2.891 ( -0.886 0.000 2.355) 2.516 2.971 ( 3.046 -0.000 -5.835) 6.582 3.086 ( 2.184 -0.000 -0.039) 2.185 3.935 ( -1.570 0.000 2.127) 2.644 4.043 ( 8.610 -0.000 -15.063) 17.350 4.442 ( -15.298 0.000 22.446) 27.163 4.681 ( 10.672 -0.000 -15.942) 19.184 4.858 ( -3.172 0.000 1.112) 3.362 5.115 ( 4.800 -0.000 -6.918) 8.420 5.361 ( 3.162 -0.000 -2.421) 3.983 5.424 ( 0.429 -0.000 -3.323) 3.351 5.824 ( -1.979 0.000 5.224) 5.586 5.910 ( -5.522 0.000 4.256) 6.972 6.222 ( 1.970 -0.000 -0.884) 2.159 6.499 ( 0.971 -0.000 1.333) 1.649 6.586 ( -5.941 0.000 3.173) 6.735 6.810 ( -6.543 0.000 -8.763) 10.936 7.545 ( -2.313 0.000 4.444) 5.010 7.993 ( -1.836 0.000 -0.382) 1.875 8.050 ( 6.957 -0.000 -2.824) 7.508 8.186 ( 0.753 -0.000 -12.013) 12.036 8.381 ( -0.466 0.000 -6.453) 6.469 8.540 ( 9.893 -0.000 5.787) 11.462 8.647 ( 3.126 -0.000 -1.711) 3.564 9.019 ( -0.857 0.000 14.731) 14.756 9.111 ( -10.250 0.000 7.941) 12.966 9.282 ( 7.029 -0.000 -3.689) 7.938 9.877 ( 0.534 -0.000 -2.349) 2.409 10.413 ( 6.169 -0.000 -12.204) 13.674 10.656 ( -17.503 0.000 16.648) 24.156 11.868 ( 4.950 -0.000 -7.048) 8.613 13.960 ( -1.424 0.000 1.694) 2.213 14.076 ( 1.351 -0.000 -0.779) 1.560 14.214 ( -3.927 0.000 -0.125) 3.929 14.586 ( 7.319 -0.000 0.293) 7.325 15.961 ( -2.248 0.000 3.790) 4.407 16.129 ( -0.271 0.000 1.283) 1.312 16.797 ( -0.320 0.000 0.837) 0.896 17.274 ( 6.965 -0.000 -12.455) 14.270 17.818 ( -4.185 0.000 5.894) 7.228 18.225 ( 1.352 -0.000 0.128) 1.358 21.608 ( -2.354 0.000 7.433) 7.797 21.634 ( -2.093 0.000 7.286) 7.580 22.971 ( -0.411 0.000 -0.438) 0.600 23.024 ( 0.051 -0.000 -10.142) 10.142 23.138 ( 4.219 -0.000 2.021) 4.678 23.400 ( 1.639 -0.000 -6.696) 6.893 23.671 ( -2.170 0.000 0.051) 2.170 23.785 ( 0.754 -0.000 0.454) 0.880 24.249 ( -13.543 0.000 10.652) 17.230 25.009 ( -2.230 0.000 1.729) 2.821 25.063 ( -0.937 0.000 1.012) 1.379 25.214 ( 4.807 -0.000 -4.467) 6.562 25.590 ( 5.827 -0.000 0.780) 5.879 25.770 ( 0.722 -0.000 -8.388) 8.419 ======================= Grid point 112 (53/116) ======================= q-point: (-0.71 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -1.322 3.504 -3.124) 4.877 1.012 ( -6.936 -0.486 -0.316) 6.960 1.145 ( -1.848 1.324 -1.806) 2.904 1.282 ( 0.815 1.546 2.879) 3.368 1.333 ( -0.076 -3.454 1.943) 3.964 1.411 ( -1.003 -2.606 1.800) 3.323 1.441 ( -5.118 -0.008 5.677) 7.644 1.554 ( -0.761 2.741 3.709) 4.674 1.584 ( 2.544 -1.598 -1.088) 3.196 1.621 ( 2.493 0.420 2.575) 3.608 1.665 ( 3.082 -0.548 0.923) 3.264 1.703 ( 3.583 -4.198 -0.296) 5.527 1.814 ( 1.442 0.236 -0.513) 1.549 1.952 ( -2.906 0.544 -1.112) 3.158 1.999 ( -0.775 3.248 -0.438) 3.368 2.016 ( -2.175 -0.376 4.532) 5.041 2.098 ( 1.884 -2.356 -1.749) 3.487 2.186 ( -0.999 -0.583 -0.667) 1.335 2.389 ( -7.026 0.182 6.400) 9.505 2.497 ( -3.215 1.085 8.425) 9.082 2.621 ( -3.067 -1.136 -1.723) 3.697 2.785 ( -5.011 0.961 4.734) 6.960 2.859 ( 10.835 0.904 -0.718) 10.896 2.929 ( 3.286 -1.510 0.238) 3.624 2.956 ( 3.273 -0.782 -4.670) 5.756 3.161 ( 7.001 1.091 2.099) 7.390 3.925 ( -2.756 -0.338 1.672) 3.241 3.981 ( 7.009 0.666 -15.796) 17.294 4.427 ( -15.342 1.345 16.875) 22.847 4.684 ( 10.255 -0.212 -11.318) 15.274 4.799 ( -2.509 -0.300 -3.755) 4.526 5.111 ( 2.423 -0.098 -3.504) 4.261 5.398 ( 4.370 0.966 -3.845) 5.900 5.417 ( 4.903 -1.319 -2.886) 5.840 5.818 ( -7.584 -0.027 4.175) 8.657 5.893 ( -0.633 0.724 3.107) 3.252 6.260 ( 4.481 -1.338 -1.769) 5.000 6.512 ( -1.655 0.514 1.870) 2.550 6.554 ( -2.870 -1.452 2.262) 3.932 6.609 ( -5.705 0.899 -8.330) 10.136 7.566 ( -1.510 0.664 4.636) 4.920 7.938 ( -4.396 -1.301 -1.846) 4.942 8.030 ( -1.502 -0.104 -5.767) 5.960 8.165 ( 11.969 -0.908 -11.232) 16.439 8.326 ( 1.098 1.528 -3.796) 4.237 8.607 ( 0.743 1.266 -0.756) 1.651 8.805 ( 10.192 0.649 5.082) 11.407 9.077 ( -8.467 0.111 12.565) 15.153 9.117 ( -5.723 -1.076 11.134) 12.565 9.346 ( 3.723 -0.174 -1.240) 3.928 9.840 ( -2.121 1.148 -1.415) 2.797 10.414 ( 10.183 -0.818 -9.791) 14.150 10.586 ( -15.805 -0.399 14.850) 21.691 11.842 ( 3.014 -0.167 -8.143) 8.684 13.962 ( -0.984 0.357 2.107) 2.353 14.088 ( 1.295 -0.017 -0.730) 1.487 14.183 ( -1.190 -1.318 0.834) 1.962 14.711 ( 9.383 1.352 -0.210) 9.482 15.964 ( -2.518 0.227 3.245) 4.114 16.141 ( -0.402 -0.779 1.136) 1.435 16.810 ( 0.491 -0.217 1.062) 1.190 17.223 ( 4.243 -1.647 -12.113) 12.940 17.809 ( -4.432 1.371 5.370) 7.097 18.246 ( 2.099 0.363 -0.832) 2.287 21.627 ( -3.632 3.507 6.673) 8.368 21.712 ( -2.078 -4.749 8.111) 9.626 22.908 ( -1.155 1.371 -5.791) 6.062 22.963 ( -0.954 -1.729 -1.791) 2.666 23.218 ( 4.010 0.679 0.909) 4.168 23.350 ( 1.840 -1.324 -7.227) 7.574 23.643 ( -1.601 0.176 0.387) 1.657 23.793 ( -0.098 0.253 0.196) 0.335 24.191 ( -11.154 -0.099 11.770) 16.216 24.979 ( -2.607 0.964 0.443) 2.814 25.052 ( -1.581 -0.537 0.094) 1.672 25.234 ( 3.029 -1.104 -3.622) 4.849 25.634 ( 1.035 5.927 -4.220) 7.349 25.747 ( 7.469 -4.118 -3.287) 9.140 ======================= Grid point 113 (54/116) ======================= q-point: (-0.57 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -3.494 6.507 3.153) 8.030 0.943 ( -6.767 0.556 8.220) 10.662 1.098 ( -1.962 0.895 0.295) 2.177 1.286 ( -1.089 2.165 3.434) 4.203 1.383 ( -2.741 -3.142 3.540) 5.470 1.416 ( -2.317 0.576 3.866) 4.544 1.476 ( 3.034 -2.976 -1.844) 4.633 1.555 ( -1.719 4.076 3.403) 5.581 1.633 ( 1.858 -0.639 -0.665) 2.075 1.658 ( 3.315 0.261 0.988) 3.469 1.694 ( -1.038 2.257 -0.484) 2.531 1.775 ( -1.937 1.222 0.629) 2.375 1.831 ( -3.564 -0.231 0.914) 3.686 1.880 ( 1.829 0.189 1.610) 2.444 1.941 ( -1.406 1.742 -0.869) 2.401 2.058 ( -1.092 -2.134 4.449) 5.054 2.112 ( -4.625 -0.911 0.418) 4.732 2.149 ( 1.749 -4.230 0.985) 4.682 2.400 ( -5.726 -2.167 8.953) 10.846 2.449 ( -6.052 2.624 -0.893) 6.656 2.595 ( -2.494 -2.463 2.031) 4.051 2.732 ( -5.898 1.533 3.053) 6.815 2.920 ( -1.431 -0.132 -2.201) 2.628 2.985 ( 7.528 -0.055 -2.053) 7.803 3.015 ( 2.421 -1.327 0.557) 2.817 3.283 ( 6.716 2.111 0.682) 7.073 3.896 ( -0.239 -0.022 -3.615) 3.623 3.911 ( 4.363 -0.494 -10.208) 11.112 4.363 ( -13.558 1.416 13.672) 19.307 4.720 ( 2.471 -0.832 -5.168) 5.788 4.727 ( 6.802 -1.097 -10.871) 12.871 5.106 ( 0.932 -0.520 -2.602) 2.812 5.404 ( 5.197 0.914 -5.083) 7.327 5.496 ( 7.069 -0.794 -3.261) 7.825 5.731 ( -7.043 1.024 3.495) 7.929 5.922 ( -0.801 -0.079 3.728) 3.814 6.325 ( 4.449 0.026 -2.503) 5.105 6.451 ( 2.931 -0.296 -8.469) 8.967 6.518 ( -4.385 -0.304 3.884) 5.866 6.581 ( 2.972 -1.270 0.270) 3.244 7.587 ( -1.971 0.699 4.702) 5.147 7.857 ( -4.449 -0.455 -1.311) 4.661 7.969 ( -1.154 -1.116 -1.969) 2.540 8.217 ( 12.043 -1.465 -14.329) 18.776 8.289 ( 0.798 2.230 -2.624) 3.535 8.590 ( 1.906 2.110 -2.981) 4.120 8.966 ( 4.773 0.175 4.198) 6.359 9.095 ( -6.836 1.749 9.661) 11.964 9.195 ( -8.646 -5.724 19.548) 22.128 9.339 ( -1.815 0.260 -2.356) 2.985 9.764 ( -4.502 2.244 -0.396) 5.046 10.488 ( 5.684 0.026 -2.751) 6.314 10.535 ( -7.633 -1.546 9.479) 12.268 11.788 ( 2.309 -0.384 -8.487) 8.803 13.971 ( -0.614 0.505 2.209) 2.347 14.095 ( 0.964 0.011 -1.146) 1.498 14.221 ( 1.958 -2.004 2.413) 3.698 14.817 ( 10.801 5.815 -3.092) 12.650 15.957 ( -2.782 0.425 3.096) 4.184 16.154 ( -0.532 -1.140 0.806) 1.494 16.836 ( 1.226 0.233 0.978) 1.585 17.171 ( 2.628 -4.286 -10.567) 11.703 17.788 ( -4.579 1.746 5.144) 7.105 18.252 ( 1.890 -0.173 -3.796) 4.244 21.597 ( -5.240 3.690 5.588) 8.503 21.815 ( -3.917 -8.832 7.034) 11.951 22.846 ( -0.738 0.448 -0.694) 1.108 22.947 ( -1.403 -0.624 0.726) 1.698 23.229 ( 2.138 3.074 -4.315) 5.713 23.346 ( 3.269 -3.728 -4.134) 6.455 23.634 ( -0.872 -0.310 1.341) 1.629 23.781 ( -0.850 0.607 -0.361) 1.105 24.177 ( -10.331 -1.684 12.863) 16.583 24.939 ( -0.821 1.103 -0.844) 1.613 25.030 ( -1.777 -0.379 -0.152) 1.823 25.238 ( 1.629 -0.477 -2.993) 3.441 25.526 ( -3.342 1.524 -4.350) 5.693 25.881 ( 13.215 2.633 -4.005) 14.057 ======================= Grid point 114 (55/116) ======================= q-point: (-0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -5.547 6.707 5.817) 10.469 0.961 ( -10.119 5.973 13.484) 17.886 1.086 ( 1.226 1.167 4.141) 4.473 1.271 ( -3.490 2.285 1.346) 4.383 1.353 ( -5.826 4.746 8.583) 11.408 1.424 ( -2.902 -0.569 2.077) 3.614 1.474 ( -3.873 5.494 2.420) 7.144 1.518 ( -1.659 -1.323 0.637) 2.216 1.595 ( -2.274 3.135 0.805) 3.956 1.643 ( -1.146 2.111 0.051) 2.402 1.725 ( 1.368 -1.479 2.735) 3.397 1.762 ( -0.232 0.596 1.433) 1.570 1.820 ( -2.887 -0.712 2.891) 4.148 1.910 ( 2.599 -0.879 -3.007) 4.070 1.929 ( 0.313 1.008 1.997) 2.259 2.076 ( -2.313 0.278 1.170) 2.607 2.126 ( 1.804 -2.795 2.046) 3.906 2.227 ( 0.010 -4.407 -0.738) 4.468 2.331 ( -4.413 -0.979 -1.249) 4.690 2.444 ( -4.349 -4.287 8.107) 10.150 2.579 ( -3.298 -0.298 -0.410) 3.337 2.684 ( -4.798 -0.062 5.288) 7.141 2.835 ( -6.224 -1.030 -3.117) 7.037 3.004 ( -1.031 0.278 -3.375) 3.540 3.060 ( 3.640 0.333 -1.278) 3.872 3.292 ( 1.732 5.448 -4.900) 7.529 3.868 ( 3.342 -1.190 -5.300) 6.378 3.887 ( 3.589 -1.293 -6.283) 7.351 4.324 ( -12.546 0.375 15.615) 20.034 4.686 ( 2.625 -2.316 -5.407) 6.441 4.750 ( 8.695 -0.553 -11.180) 14.174 5.090 ( 1.623 -0.808 -4.248) 4.618 5.428 ( 5.178 0.562 -3.341) 6.188 5.511 ( 2.691 1.458 -6.467) 7.155 5.740 ( -0.160 -0.201 7.752) 7.757 5.945 ( -1.588 -0.278 3.143) 3.533 6.292 ( -0.077 1.525 -3.671) 3.975 6.474 ( 0.872 -0.508 -2.399) 2.603 6.549 ( 7.082 0.494 1.349) 7.226 6.672 ( 9.853 -1.919 -2.777) 10.415 7.597 ( -3.230 0.651 4.875) 5.884 7.799 ( -3.265 0.179 1.292) 3.515 7.965 ( -1.030 -1.596 1.621) 2.497 8.217 ( 8.835 -0.596 -14.776) 17.226 8.268 ( 2.954 0.721 -3.441) 4.592 8.565 ( 2.432 2.159 -4.130) 5.257 9.041 ( -0.142 0.060 2.571) 2.576 9.051 ( -11.231 0.538 7.688) 13.621 9.258 ( -1.426 1.474 -4.932) 5.341 9.322 ( -15.042 -11.728 16.710) 25.358 9.702 ( -0.385 3.554 4.186) 5.505 10.499 ( -8.862 -1.599 14.300) 16.899 10.615 ( 7.331 -1.670 -3.011) 8.099 11.743 ( 3.760 -0.628 -7.580) 8.485 13.982 ( -0.652 0.361 1.925) 2.065 14.090 ( 0.595 0.034 -1.710) 1.811 14.317 ( 3.751 -1.429 3.429) 5.279 14.854 ( 11.550 10.742 -8.246) 17.798 15.946 ( -2.918 0.572 3.398) 4.515 16.158 ( -0.999 -0.849 0.158) 1.321 16.858 ( 1.557 1.467 0.305) 2.161 17.135 ( 1.537 -5.146 -9.018) 10.496 17.758 ( -5.264 1.293 5.053) 7.410 18.216 ( 0.547 -0.945 -6.417) 6.509 21.549 ( -5.512 2.356 5.364) 8.044 21.856 ( -9.229 -10.845 1.038) 14.278 22.865 ( 0.134 1.180 4.665) 4.814 22.975 ( 0.506 -1.733 5.482) 5.772 23.175 ( 2.725 2.873 -5.934) 7.134 23.381 ( 2.864 -3.602 -3.891) 6.026 23.654 ( -0.379 -1.381 2.534) 2.911 23.756 ( -0.674 0.714 -0.750) 1.235 24.207 ( -10.480 -6.052 15.539) 19.695 24.925 ( 1.585 0.620 -1.373) 2.186 25.007 ( -1.168 0.378 0.340) 1.274 25.230 ( 1.334 0.323 -2.164) 2.562 25.434 ( -3.421 -0.412 -1.472) 3.746 25.973 ( 13.900 8.565 -8.675) 18.489 ======================= Grid point 115 (56/116) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -5.674 4.683 11.605) 13.741 0.798 ( -8.776 13.581 7.628) 17.878 1.198 ( 1.355 -1.068 3.716) 4.097 1.279 ( -1.815 3.671 15.764) 16.287 1.360 ( -2.388 0.942 4.351) 5.052 1.374 ( -5.212 5.305 9.344) 11.942 1.433 ( -3.214 1.820 1.755) 4.089 1.476 ( -1.900 4.554 0.841) 5.005 1.568 ( -3.833 4.024 1.343) 5.717 1.593 ( 1.076 -1.706 -0.262) 2.034 1.734 ( -3.499 -0.897 0.573) 3.658 1.772 ( -1.718 -0.930 0.556) 2.031 1.831 ( -1.930 -1.798 1.902) 3.252 1.910 ( 0.353 0.249 -2.701) 2.735 1.949 ( 2.240 2.500 0.837) 3.459 2.049 ( -1.867 1.489 0.593) 2.460 2.126 ( 1.373 -0.391 -9.024) 9.136 2.225 ( -1.462 -3.911 -1.166) 4.335 2.341 ( -4.077 -3.932 7.592) 9.472 2.497 ( -3.519 -3.237 4.466) 6.542 2.531 ( -2.964 -2.415 1.066) 3.969 2.677 ( -6.894 -1.976 2.504) 7.596 2.753 ( 0.458 -3.158 -1.380) 3.476 2.894 ( -3.278 2.929 -4.990) 6.650 3.082 ( 3.847 1.539 -4.274) 5.953 3.176 ( -1.170 6.237 -4.931) 8.036 3.879 ( -0.023 -0.402 1.257) 1.320 3.918 ( 11.230 -2.150 -10.848) 15.761 4.325 ( -12.594 0.027 18.106) 22.055 4.721 ( 6.972 -2.477 -6.421) 9.797 4.752 ( 5.629 -1.427 -7.356) 9.372 5.082 ( 4.765 -1.505 -7.268) 8.820 5.459 ( 2.064 1.593 -5.859) 6.413 5.466 ( 3.055 -0.393 -1.479) 3.417 5.826 ( -1.287 1.401 8.122) 8.341 5.946 ( -2.887 -0.293 2.791) 4.026 6.250 ( 0.285 1.151 -2.235) 2.530 6.456 ( -1.719 0.076 0.923) 1.952 6.641 ( 7.153 3.852 -2.030) 8.374 6.850 ( 14.744 -2.948 -4.112) 15.588 7.587 ( -4.461 0.624 4.557) 6.407 7.785 ( -2.357 0.700 4.533) 5.157 7.986 ( -0.467 -0.938 1.700) 1.997 8.184 ( 8.080 -0.854 -14.102) 16.275 8.303 ( 4.491 -0.652 0.884) 4.624 8.532 ( 2.343 2.022 -5.209) 6.059 8.914 ( -13.540 -0.947 2.455) 13.794 8.984 ( -11.896 -0.497 0.671) 11.925 9.186 ( -1.069 0.225 -1.425) 1.795 9.313 ( -10.295 -4.547 7.550) 13.552 9.788 ( 4.479 -1.382 2.127) 5.147 10.574 ( 0.177 -3.121 2.353) 3.913 10.708 ( -4.133 -6.758 11.005) 13.560 11.750 ( 6.393 -0.614 -5.787) 8.645 13.985 ( -1.117 0.221 1.405) 1.809 14.078 ( 0.500 -0.188 -1.828) 1.904 14.395 ( 0.284 -0.453 2.156) 2.221 14.775 ( 8.117 15.496 -13.592) 22.153 15.938 ( -2.847 0.492 3.824) 4.792 16.137 ( -1.907 0.522 0.163) 1.984 16.857 ( 0.846 2.737 -0.938) 3.014 17.113 ( 4.446 -1.507 -5.256) 7.047 17.738 ( -4.787 -0.438 6.425) 8.024 18.168 ( 0.406 -3.047 -5.086) 5.943 21.522 ( -4.492 1.028 5.843) 7.441 21.745 ( -13.529 -5.481 0.080) 14.597 22.905 ( -0.461 1.773 5.479) 5.777 23.048 ( 0.749 -0.341 -0.862) 1.192 23.179 ( 6.359 -0.070 -3.509) 7.263 23.413 ( 3.118 -4.176 -3.659) 6.367 23.694 ( -0.907 -2.757 2.573) 3.878 23.740 ( 0.337 0.498 -0.494) 0.778 24.325 ( -11.634 -16.039 17.126) 26.189 24.943 ( 3.058 -0.131 -1.387) 3.360 25.002 ( 0.054 1.034 1.467) 1.796 25.225 ( 1.119 0.705 -1.579) 2.059 25.423 ( 0.884 -0.878 2.576) 2.862 25.944 ( 11.165 13.152 -13.004) 21.604 ======================= Grid point 116 (57/116) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -3.366 6.531 14.872) 16.588 0.834 ( 7.483 5.020 13.935) 16.595 1.227 ( -1.090 -0.249 0.606) 1.272 1.308 ( -3.576 1.465 -0.262) 3.874 1.315 ( -3.029 4.453 4.089) 6.762 1.381 ( -1.125 1.985 0.158) 2.287 1.443 ( -0.489 1.086 2.466) 2.739 1.520 ( 4.099 2.550 2.100) 5.264 1.559 ( -2.201 3.085 21.850) 22.176 1.625 ( 0.588 -1.386 0.592) 1.618 1.684 ( -3.248 0.113 -0.955) 3.388 1.736 ( -3.031 -1.584 0.152) 3.423 1.792 ( -2.323 0.532 -3.630) 4.342 1.873 ( -3.686 -0.100 0.108) 3.689 1.959 ( 1.334 2.008 -0.647) 2.496 2.013 ( -0.813 0.606 -1.155) 1.538 2.040 ( 4.453 1.337 -12.712) 13.536 2.176 ( -3.572 -0.744 -2.808) 4.604 2.383 ( -10.400 -2.628 11.205) 15.512 2.491 ( -2.727 -3.780 0.433) 4.681 2.549 ( 1.281 -1.830 -0.633) 2.322 2.668 ( -1.529 -2.006 6.502) 6.974 2.788 ( 0.856 -3.119 0.503) 3.273 2.839 ( 5.153 2.721 -6.401) 8.656 3.014 ( 0.878 4.681 -5.261) 7.097 3.111 ( -0.661 -0.451 -1.987) 2.142 3.902 ( 0.513 0.167 1.697) 1.781 3.994 ( 12.582 -1.868 -11.317) 17.026 4.351 ( -12.818 -0.328 20.362) 24.062 4.727 ( 11.041 -0.776 -16.664) 20.005 4.817 ( 0.057 -2.801 4.361) 5.183 5.095 ( 7.775 -1.924 -9.874) 12.714 5.412 ( 1.814 1.009 -5.826) 6.184 5.484 ( -0.268 -1.045 -0.505) 1.191 5.835 ( -4.613 3.343 5.799) 8.129 5.942 ( -4.403 -1.002 5.200) 6.887 6.228 ( 0.093 1.135 -0.740) 1.358 6.449 ( 0.163 0.519 0.607) 0.816 6.660 ( 2.081 3.752 -0.492) 4.319 6.993 ( 7.029 -2.669 -5.783) 9.486 7.561 ( -4.944 -0.027 4.078) 6.409 7.836 ( 1.514 0.519 7.215) 7.390 8.004 ( 1.096 1.365 0.886) 1.962 8.183 ( 10.073 -0.515 -9.449) 13.821 8.399 ( 3.814 -2.471 -3.703) 5.862 8.497 ( 2.322 1.609 -1.710) 3.302 8.764 ( -10.399 -1.341 2.079) 10.690 8.796 ( -10.674 0.122 1.832) 10.831 9.183 ( -0.819 -1.238 1.046) 1.816 9.279 ( -5.226 0.862 3.846) 6.545 9.856 ( 3.754 -1.984 -2.973) 5.184 10.563 ( 4.262 -0.234 -11.137) 11.927 10.790 ( -15.954 -7.123 16.452) 23.999 11.801 ( 7.592 -0.066 -5.093) 9.143 13.977 ( -1.592 0.096 1.195) 1.993 14.071 ( 0.595 -0.496 -1.544) 1.728 14.370 ( -4.955 0.313 0.518) 4.992 14.588 ( 3.197 13.752 -8.149) 16.302 15.939 ( -2.600 0.190 4.144) 4.896 16.117 ( -0.721 1.226 1.437) 2.022 16.825 ( -0.725 2.231 -0.296) 2.365 17.196 ( 11.996 -0.022 -5.880) 13.360 17.765 ( -3.820 -1.776 7.296) 8.425 18.172 ( 1.279 -4.490 -2.696) 5.391 21.528 ( -3.333 0.223 6.385) 7.206 21.622 ( -9.134 -0.736 5.231) 10.552 22.947 ( -0.701 0.840 5.228) 5.341 23.034 ( 2.559 0.986 -3.152) 4.178 23.194 ( 3.935 0.109 -8.053) 8.964 23.447 ( 3.161 -2.226 -4.421) 5.873 23.714 ( -2.055 -2.266 1.091) 3.248 23.746 ( 1.037 0.211 0.012) 1.059 24.417 ( -16.121 -14.584 10.753) 24.253 24.977 ( 2.514 -0.356 -0.774) 2.654 25.025 ( 0.565 0.481 2.614) 2.717 25.212 ( 2.079 2.581 -2.327) 4.049 25.492 ( 1.601 -1.296 1.319) 2.446 25.858 ( 9.236 8.119 -10.673) 16.283 ======================= Grid point 119 (58/116) ======================= q-point: ( 0.29 -0.71 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -3.078 0.000 0.715) 3.160 0.957 ( -4.536 0.000 8.898) 9.988 1.113 ( -0.795 0.000 -0.739) 1.085 1.309 ( -3.891 0.000 7.811) 8.726 1.320 ( -1.862 0.000 2.205) 2.886 1.443 ( -1.677 0.000 2.945) 3.389 1.450 ( 4.837 -0.000 -1.364) 5.026 1.599 ( 4.127 -0.000 -2.771) 4.971 1.603 ( -1.232 0.000 3.067) 3.305 1.700 ( 3.032 -0.000 1.079) 3.219 1.707 ( 4.131 -0.000 -0.353) 4.146 1.774 ( 1.717 -0.000 4.384) 4.708 1.840 ( -2.043 0.000 -1.256) 2.398 1.878 ( -0.324 0.000 1.165) 1.210 1.952 ( -7.046 0.000 -1.282) 7.161 2.026 ( -1.806 0.000 3.036) 3.532 2.088 ( 0.725 -0.000 0.403) 0.830 2.123 ( -6.360 0.000 3.179) 7.111 2.383 ( -5.634 0.000 8.696) 10.362 2.491 ( -6.862 0.000 -5.105) 8.552 2.559 ( -2.038 0.000 6.746) 7.047 2.745 ( -5.766 0.000 2.493) 6.282 2.919 ( -2.608 0.000 -1.269) 2.901 2.984 ( 6.477 -0.000 -1.892) 6.747 3.004 ( 4.683 -0.000 0.935) 4.775 3.299 ( 6.722 -0.000 0.853) 6.776 3.896 ( -2.988 0.000 1.196) 3.219 3.909 ( 6.746 -0.000 -15.334) 16.753 4.377 ( -13.641 0.000 12.736) 18.663 4.709 ( -0.777 0.000 -6.599) 6.645 4.720 ( 9.095 -0.000 -8.789) 12.648 5.102 ( 1.391 -0.000 -3.207) 3.496 5.414 ( 5.117 -0.000 -5.192) 7.290 5.486 ( 7.149 -0.000 -2.163) 7.469 5.739 ( -7.844 0.000 3.642) 8.648 5.923 ( -0.640 0.000 3.287) 3.348 6.323 ( 7.029 -0.000 -2.808) 7.569 6.452 ( 1.953 -0.000 -9.455) 9.655 6.516 ( -4.649 0.000 3.759) 5.979 6.569 ( 2.548 -0.000 1.464) 2.938 7.592 ( -2.182 0.000 4.250) 4.778 7.854 ( -4.725 0.000 0.529) 4.755 7.958 ( -1.003 0.000 -2.882) 3.052 8.204 ( 12.523 -0.000 -14.657) 19.278 8.312 ( 0.651 -0.000 -2.517) 2.600 8.604 ( 1.174 -0.000 -3.363) 3.562 8.968 ( 4.682 -0.000 3.901) 6.094 9.124 ( -7.197 0.000 8.102) 10.837 9.134 ( -9.643 0.000 20.650) 22.790 9.342 ( -1.112 0.000 -2.611) 2.838 9.785 ( -4.298 0.000 -0.011) 4.298 10.491 ( 12.643 -0.000 -7.417) 14.658 10.520 ( -13.973 0.000 13.849) 19.673 11.784 ( 2.094 -0.000 -8.293) 8.554 13.975 ( -0.893 0.000 2.412) 2.571 14.095 ( 1.031 -0.000 -1.173) 1.562 14.203 ( 2.890 -0.000 1.776) 3.392 14.865 ( 11.653 -0.000 -2.750) 11.973 15.961 ( -2.648 0.000 2.947) 3.962 16.144 ( -0.519 0.000 1.137) 1.250 16.837 ( 1.374 -0.000 1.256) 1.861 17.135 ( 2.351 -0.000 -10.575) 10.834 17.803 ( -5.521 0.000 5.735) 7.961 18.250 ( 1.915 -0.000 -4.338) 4.742 21.655 ( -6.127 0.000 6.551) 8.970 21.713 ( -4.288 0.000 5.890) 7.285 22.850 ( -0.505 0.000 -1.222) 1.322 22.941 ( -1.675 0.000 1.733) 2.410 23.282 ( 2.200 -0.000 -8.365) 8.649 23.287 ( 3.456 -0.000 -0.068) 3.457 23.632 ( -0.821 0.000 0.923) 1.235 23.787 ( -0.935 0.000 -0.189) 0.954 24.163 ( -10.400 0.000 12.009) 15.886 24.949 ( -1.688 0.000 -0.272) 1.710 25.027 ( -1.366 0.000 -0.050) 1.367 25.233 ( 2.210 -0.000 -2.965) 3.698 25.540 ( -4.351 0.000 -5.851) 7.291 25.901 ( 14.599 -0.000 -2.552) 14.821 ======================= Grid point 121 (59/116) ======================= q-point: (-0.57 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -5.341 2.119 2.367) 6.215 1.041 ( -6.155 3.383 17.507) 18.864 1.107 ( 0.895 0.754 1.990) 2.308 1.288 ( -5.301 0.246 2.831) 6.015 1.378 ( -2.716 -1.814 8.700) 9.293 1.447 ( 1.414 2.562 0.331) 2.945 1.497 ( 1.095 -0.141 0.873) 1.408 1.565 ( -3.418 4.713 -0.672) 5.860 1.619 ( -0.868 -1.702 -0.845) 2.089 1.698 ( -1.398 4.595 0.721) 4.857 1.755 ( 1.245 2.770 0.904) 3.168 1.769 ( 3.245 1.342 -0.237) 3.520 1.818 ( -1.231 -0.042 2.277) 2.589 1.857 ( -4.432 -4.158 0.409) 6.091 1.953 ( 2.173 0.882 2.608) 3.507 2.043 ( -0.304 -4.014 0.382) 4.043 2.094 ( -1.463 1.143 4.226) 4.616 2.152 ( 0.818 -4.383 1.258) 4.632 2.330 ( -4.524 0.273 -4.700) 6.529 2.393 ( -8.335 -1.447 10.907) 13.803 2.574 ( -3.039 -0.201 1.376) 3.342 2.682 ( -6.302 -0.064 3.018) 6.988 2.824 ( -7.617 -0.345 -1.844) 7.844 3.008 ( 0.500 0.212 -3.134) 3.181 3.064 ( 3.440 0.092 -1.715) 3.845 3.350 ( 2.831 1.607 -3.858) 5.048 3.856 ( 7.370 -0.266 -11.996) 14.081 3.873 ( -1.103 -0.526 0.005) 1.222 4.328 ( -12.394 0.136 14.145) 18.807 4.655 ( 1.772 -1.163 -4.607) 5.071 4.742 ( 8.199 -0.280 -10.825) 13.583 5.081 ( 2.079 -0.299 -5.227) 5.633 5.437 ( 4.948 0.351 -4.035) 6.394 5.524 ( 2.582 0.314 -5.541) 6.121 5.735 ( -1.136 -0.245 9.294) 9.367 5.943 ( -1.489 -0.051 2.891) 3.252 6.313 ( -0.191 0.730 -4.187) 4.255 6.470 ( 1.529 -0.089 -2.438) 2.880 6.554 ( 11.753 0.162 -0.250) 11.757 6.647 ( 6.659 -0.911 -0.722) 6.760 7.597 ( -3.300 -0.288 4.010) 5.201 7.812 ( -3.455 0.935 3.505) 5.010 7.940 ( -1.313 -1.151 1.492) 2.297 8.204 ( 11.157 -0.574 -17.396) 20.674 8.291 ( 1.098 1.307 -1.955) 2.595 8.577 ( 1.265 -0.250 -4.622) 4.798 9.043 ( -0.273 0.101 2.316) 2.334 9.063 ( -12.160 0.648 7.034) 14.063 9.187 ( -14.970 -3.889 16.993) 22.978 9.283 ( 0.345 0.728 -4.599) 4.669 9.747 ( -2.182 1.500 4.722) 5.414 10.492 ( -11.381 0.123 15.957) 19.600 10.593 ( 10.159 -0.810 -6.698) 12.195 11.735 ( 3.372 -0.298 -7.276) 8.025 13.986 ( -1.109 0.150 2.171) 2.443 14.091 ( 0.707 0.052 -1.797) 1.932 14.298 ( 5.424 -0.652 2.363) 5.952 14.967 ( 11.048 3.153 -7.762) 13.865 15.954 ( -2.700 0.283 3.200) 4.196 16.149 ( -0.737 -0.229 1.129) 1.367 16.873 ( 1.951 0.417 0.763) 2.136 17.076 ( 2.884 -1.815 -7.653) 8.377 17.773 ( -7.018 0.481 6.057) 9.283 18.203 ( 0.874 -0.440 -7.935) 7.996 21.598 ( -7.106 3.214 5.605) 9.604 21.713 ( -7.916 -6.024 4.078) 10.751 22.883 ( 1.304 0.783 5.832) 6.027 22.952 ( -1.147 -0.936 3.932) 4.202 23.218 ( 3.251 1.930 -8.163) 8.996 23.327 ( 2.145 -2.316 -2.648) 4.121 23.641 ( -0.273 -0.303 1.798) 1.844 23.765 ( -0.957 0.324 -0.537) 1.144 24.150 ( -10.631 -1.437 12.791) 16.694 24.932 ( 0.431 0.207 -0.787) 0.921 25.014 ( -0.652 0.286 0.738) 1.026 25.232 ( 1.603 0.010 -2.193) 2.716 25.430 ( -3.368 -0.117 -2.446) 4.165 26.059 ( 14.165 2.308 -7.659) 16.268 ======================= Grid point 122 (60/116) ======================= q-point: (-0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -4.969 3.118 9.153) 10.871 0.998 ( -6.756 9.897 6.683) 13.721 1.175 ( -0.905 -1.740 3.576) 4.079 1.305 ( -2.650 -1.644 10.637) 11.085 1.389 ( -8.127 1.010 3.789) 9.023 1.436 ( 2.220 3.390 3.394) 5.286 1.485 ( -1.051 4.799 6.089) 7.824 1.549 ( 2.601 1.422 0.408) 2.992 1.596 ( -0.962 2.678 0.466) 2.884 1.653 ( -2.309 5.482 0.497) 5.970 1.729 ( -2.667 1.574 0.964) 3.243 1.779 ( 0.237 0.962 -2.467) 2.658 1.810 ( -2.647 -0.612 2.727) 3.849 1.897 ( 2.251 -1.835 0.221) 2.912 1.988 ( 2.616 1.691 0.597) 3.171 2.057 ( -1.735 -0.368 0.552) 1.857 2.116 ( -1.499 -0.612 -4.923) 5.182 2.148 ( 0.538 -4.551 0.110) 4.585 2.305 ( -2.599 -0.802 5.036) 5.724 2.427 ( -5.612 -4.803 8.365) 11.160 2.512 ( -4.260 -0.083 -0.360) 4.276 2.633 ( -9.619 -2.849 6.219) 11.803 2.711 ( -1.152 -1.532 -4.154) 4.575 2.940 ( -1.319 2.477 -4.210) 5.060 3.074 ( 2.113 -1.260 -3.808) 4.534 3.271 ( -0.534 4.074 -8.158) 9.135 3.870 ( 3.273 -0.603 -2.022) 3.894 3.885 ( 7.593 -1.546 -6.880) 10.362 4.322 ( -12.497 -0.314 17.406) 21.430 4.680 ( 3.576 -2.120 -1.058) 4.290 4.733 ( 8.086 -0.825 -12.738) 15.110 5.061 ( 4.463 -0.937 -7.603) 8.866 5.460 ( 3.046 -0.275 -2.804) 4.149 5.477 ( 0.874 0.650 -5.264) 5.376 5.847 ( -0.576 0.976 10.359) 10.421 5.941 ( -2.846 -0.203 2.530) 3.813 6.268 ( 0.822 0.867 -3.315) 3.523 6.457 ( -2.381 0.060 2.504) 3.456 6.699 ( 8.644 2.870 -2.681) 9.494 6.802 ( 15.434 -2.610 -4.370) 16.251 7.586 ( -4.845 -0.543 4.024) 6.322 7.813 ( -1.365 2.400 5.533) 6.184 7.963 ( -1.452 -1.788 3.990) 4.607 8.170 ( 9.500 -0.683 -15.893) 18.528 8.303 ( 4.022 0.702 -0.324) 4.096 8.543 ( 1.537 -0.557 -5.983) 6.203 8.908 ( -13.849 0.192 2.393) 14.055 8.963 ( -13.876 -1.741 1.864) 14.109 9.175 ( -6.210 -1.339 6.895) 9.376 9.264 ( 0.526 -0.699 -0.439) 0.979 9.792 ( 0.979 1.140 4.908) 5.133 10.539 ( -8.085 -0.761 16.883) 18.734 10.646 ( 4.070 -1.943 -4.320) 6.245 11.739 ( 6.096 -0.643 -5.385) 8.160 13.987 ( -1.530 0.042 1.617) 2.226 14.078 ( 0.669 0.104 -2.079) 2.186 14.388 ( 1.986 -0.397 1.260) 2.385 14.954 ( 7.538 6.302 -13.047) 16.333 15.947 ( -2.803 0.470 3.567) 4.560 16.147 ( -1.038 0.603 1.259) 1.739 16.894 ( 1.446 1.526 -0.686) 2.211 17.091 ( 6.895 -0.996 -4.360) 8.218 17.732 ( -7.141 -0.312 6.528) 9.680 18.125 ( 0.100 -1.863 -7.743) 7.965 21.544 ( -5.758 1.545 5.951) 8.424 21.662 ( -9.787 -4.088 3.881) 11.294 22.940 ( -0.581 2.313 5.348) 5.856 23.033 ( 1.483 -1.494 4.445) 4.918 23.183 ( 5.826 0.612 -6.890) 9.044 23.339 ( 1.574 -3.917 -3.733) 5.635 23.663 ( -0.737 -0.993 2.198) 2.522 23.749 ( -0.023 0.410 -0.396) 0.570 24.164 ( -11.363 -4.919 14.700) 19.220 24.941 ( 1.931 -0.169 -0.998) 2.180 25.020 ( 0.270 0.975 1.907) 2.159 25.233 ( 1.322 0.289 -1.349) 1.911 25.410 ( 1.243 -0.598 1.482) 2.025 26.086 ( 8.794 4.753 -13.330) 16.661 ======================= Grid point 123 (61/116) ======================= q-point: (-0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.530 7.017 14.128) 15.783 0.936 ( 2.082 7.145 8.708) 11.455 1.210 ( -0.722 -2.113 1.944) 2.961 1.299 ( -4.269 -1.266 1.053) 4.576 1.383 ( -2.972 2.168 4.761) 6.017 1.422 ( -1.944 2.612 -1.037) 3.417 1.518 ( 0.902 5.883 0.006) 5.951 1.574 ( 0.829 4.058 -0.102) 4.143 1.595 ( 0.508 -1.172 2.269) 2.604 1.641 ( 4.344 5.709 14.139) 15.855 1.686 ( -3.158 0.482 0.655) 3.261 1.718 ( -3.185 -0.297 -1.982) 3.763 1.791 ( -2.372 -0.580 -0.831) 2.579 1.898 ( -2.143 3.026 0.878) 3.810 1.992 ( -0.666 0.535 -2.078) 2.247 2.027 ( 0.190 1.873 -2.194) 2.891 2.056 ( 4.329 0.516 -9.059) 10.053 2.153 ( -2.805 -2.003 -0.920) 3.568 2.347 ( -7.188 -1.281 12.926) 14.845 2.432 ( -3.987 -2.814 1.104) 5.003 2.507 ( -0.121 -2.947 1.898) 3.507 2.624 ( -4.288 -3.416 8.184) 9.850 2.721 ( 1.955 -4.169 -1.540) 4.855 2.886 ( 3.836 2.770 -4.403) 6.463 3.063 ( 1.601 -0.555 -6.267) 6.492 3.123 ( -3.084 2.954 -4.984) 6.563 3.902 ( 0.927 -0.053 1.723) 1.957 3.956 ( 11.592 -2.408 -10.400) 15.759 4.342 ( -13.140 -0.726 19.650) 23.650 4.711 ( 10.518 -1.012 -15.885) 19.079 4.764 ( 0.977 -3.163 3.530) 4.840 5.064 ( 7.141 -1.580 -9.169) 11.728 5.427 ( 1.348 0.657 -5.698) 5.892 5.467 ( 0.552 -0.922 -1.857) 2.145 5.885 ( -3.846 1.817 4.519) 6.205 5.936 ( -4.547 0.901 7.027) 8.418 6.247 ( 1.005 0.972 -1.724) 2.220 6.458 ( -1.218 0.371 2.618) 2.911 6.730 ( 2.794 3.905 -1.701) 5.094 6.946 ( 6.968 -2.578 -5.820) 9.438 7.553 ( -5.584 -0.871 3.271) 6.530 7.863 ( 1.662 2.683 7.476) 8.115 8.016 ( 1.319 -0.186 3.929) 4.148 8.174 ( 11.122 -0.471 -10.587) 15.362 8.371 ( 4.669 -0.743 -3.382) 5.813 8.501 ( 1.473 -1.156 -6.122) 6.402 8.748 ( -10.335 -0.421 2.308) 10.598 8.788 ( -10.786 -1.040 2.173) 11.052 9.171 ( -3.967 -0.363 4.368) 5.912 9.275 ( 0.060 -0.940 -0.263) 0.978 9.837 ( 1.524 0.006 0.472) 1.595 10.567 ( 2.139 0.807 -5.442) 5.902 10.690 ( -10.762 -4.496 15.918) 19.734 11.795 ( 7.514 -0.594 -4.576) 8.817 13.977 ( -1.871 -0.116 1.163) 2.206 14.067 ( 0.918 0.036 -1.798) 2.020 14.377 ( -3.955 0.493 0.340) 4.000 14.801 ( 2.219 10.245 -12.785) 16.533 15.944 ( -2.723 0.304 3.868) 4.740 16.141 ( -0.587 1.535 1.702) 2.366 16.869 ( -0.607 2.685 -1.161) 2.987 17.196 ( 12.230 0.019 -5.021) 13.220 17.728 ( -5.135 -2.355 7.087) 9.064 18.092 ( 0.949 -4.443 -3.735) 5.881 21.532 ( -4.267 0.289 6.336) 7.645 21.608 ( -6.850 -0.796 6.106) 9.211 22.964 ( -1.182 0.993 3.594) 3.912 23.060 ( 2.430 2.159 -1.275) 3.491 23.197 ( 4.820 0.317 -7.598) 9.004 23.382 ( 3.178 -5.411 -2.642) 6.809 23.677 ( -1.948 -1.656 1.785) 3.118 23.750 ( 0.835 0.217 -0.051) 0.864 24.215 ( -12.317 -8.515 14.975) 21.177 24.964 ( 2.018 -0.811 -1.063) 2.421 25.046 ( 0.726 1.473 2.999) 3.419 25.239 ( 1.890 0.774 -1.047) 2.295 25.482 ( 3.613 -0.004 1.821) 4.046 25.967 ( 3.426 4.571 -14.427) 15.517 ======================= Grid point 124 (62/116) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -1.157 5.578 12.564) 13.795 1.089 ( 3.242 1.991 4.295) 5.738 1.210 ( -1.942 2.594 0.471) 3.274 1.265 ( -1.888 2.752 3.706) 4.987 1.330 ( -4.049 0.736 -1.835) 4.506 1.386 ( 0.797 0.121 3.360) 3.455 1.496 ( 2.145 4.551 0.624) 5.069 1.561 ( 0.134 2.006 -0.961) 2.228 1.610 ( -1.702 -0.459 -0.057) 1.764 1.643 ( -0.936 2.031 -0.381) 2.269 1.704 ( 0.289 -3.694 1.356) 3.946 1.730 ( -1.195 0.786 -3.505) 3.786 1.804 ( -2.507 1.881 -3.166) 4.455 1.882 ( 8.190 5.067 11.122) 14.712 1.955 ( 0.086 -1.067 -1.280) 1.668 1.979 ( -0.065 -1.769 -4.247) 4.601 2.029 ( 3.491 4.328 -3.582) 6.614 2.126 ( 0.195 0.578 0.129) 0.624 2.372 ( -8.422 1.463 13.322) 15.829 2.426 ( -1.856 -3.565 0.492) 4.050 2.563 ( 2.657 -2.660 0.447) 3.786 2.710 ( 0.638 -2.754 5.306) 6.012 2.791 ( 1.428 -3.399 1.375) 3.935 2.842 ( 1.509 2.931 -7.072) 7.803 3.000 ( 1.486 1.248 -3.124) 3.678 3.071 ( -0.547 -1.047 -1.904) 2.241 3.931 ( 0.250 0.375 1.833) 1.888 4.017 ( 10.528 -2.476 -12.361) 16.425 4.381 ( -13.757 -1.538 21.365) 25.458 4.696 ( 10.600 -0.850 -16.273) 19.440 4.831 ( -1.103 -2.566 3.733) 4.662 5.089 ( 7.459 -1.632 -8.830) 11.673 5.382 ( 1.845 0.814 -5.065) 5.452 5.451 ( -0.585 -0.783 -2.078) 2.296 5.855 ( -3.407 2.008 4.106) 5.701 5.921 ( -6.646 0.819 6.629) 9.422 6.241 ( 1.147 1.446 -0.517) 1.917 6.473 ( 0.125 0.324 2.052) 2.081 6.688 ( -2.818 3.863 0.685) 4.830 6.924 ( -3.111 -2.960 -6.297) 7.622 7.522 ( -4.092 -1.556 3.083) 5.355 7.967 ( 4.826 1.904 4.335) 6.761 8.060 ( 1.681 2.857 0.883) 3.430 8.290 ( 3.916 -1.129 -0.247) 4.083 8.330 ( 11.568 0.213 -13.047) 17.438 8.441 ( -2.330 -2.710 -7.678) 8.469 8.644 ( -5.706 -1.495 0.310) 5.907 8.825 ( 1.440 -1.052 12.178) 12.308 9.158 ( -6.088 -0.585 5.780) 8.415 9.275 ( 2.386 0.690 -2.717) 3.681 9.854 ( 1.119 -1.097 -1.409) 2.107 10.502 ( 4.090 1.419 -11.669) 12.446 10.708 ( -16.289 -1.807 18.309) 24.573 11.851 ( 6.827 -0.113 -5.522) 8.781 13.963 ( -1.843 -0.294 1.140) 2.187 14.067 ( 1.229 -0.048 -1.218) 1.731 14.302 ( -5.229 1.152 0.803) 5.415 14.635 ( 1.908 8.165 -6.443) 10.575 15.948 ( -2.431 -0.056 4.008) 4.688 16.142 ( -0.202 1.653 1.627) 2.328 16.826 ( -1.030 2.007 -0.217) 2.266 17.290 ( 11.067 1.081 -9.664) 14.732 17.760 ( -4.194 -3.236 6.413) 8.318 18.137 ( 2.074 -4.818 -0.200) 5.249 21.547 ( -3.540 -0.730 6.261) 7.230 21.617 ( -2.647 1.044 7.897) 8.394 22.965 ( -1.021 -0.526 0.076) 1.151 23.081 ( 3.930 1.562 -0.844) 4.313 23.149 ( 2.253 1.786 -7.879) 8.387 23.423 ( 3.046 -2.131 -4.760) 6.040 23.675 ( -2.407 -1.704 1.226) 3.194 23.765 ( 1.059 -0.028 0.195) 1.077 24.248 ( -12.920 -6.586 12.861) 19.383 24.986 ( 0.759 -1.476 -0.544) 1.747 25.074 ( -0.179 1.777 3.068) 3.549 25.249 ( 3.534 2.265 -2.437) 4.854 25.510 ( 0.517 0.958 -0.625) 1.255 25.857 ( 3.699 0.626 -10.244) 10.910 ======================= Grid point 128 (63/116) ======================= q-point: ( 0.43 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -4.172 0.000 8.111) 9.121 1.124 ( -7.638 0.000 9.683) 12.333 1.125 ( -0.197 0.000 1.418) 1.432 1.286 ( -3.878 0.000 11.647) 12.275 1.365 ( -8.611 0.000 2.723) 9.031 1.487 ( 1.374 -0.000 -1.197) 1.823 1.532 ( 1.123 -0.000 3.757) 3.921 1.583 ( 2.793 -0.000 2.382) 3.671 1.600 ( 0.115 -0.000 0.156) 0.194 1.715 ( 0.122 -0.000 -0.951) 0.958 1.762 ( -2.532 0.000 1.953) 3.197 1.771 ( 3.077 -0.000 -5.959) 6.707 1.812 ( -3.181 0.000 1.409) 3.479 1.879 ( -0.349 0.000 6.818) 6.827 2.012 ( 0.046 -0.000 -0.042) 0.062 2.033 ( 3.539 -0.000 1.944) 4.038 2.099 ( -3.988 0.000 -0.568) 4.028 2.121 ( 1.503 -0.000 -3.086) 3.432 2.303 ( 3.455 -0.000 -0.004) 3.455 2.372 ( -12.700 0.000 15.417) 19.974 2.516 ( -4.090 0.000 -1.523) 4.364 2.604 ( -10.811 0.000 6.653) 12.694 2.699 ( -1.708 0.000 -4.894) 5.183 2.965 ( -0.839 0.000 -2.976) 3.092 3.059 ( 1.582 -0.000 -4.987) 5.232 3.305 ( -0.611 0.000 -8.409) 8.431 3.863 ( 10.933 -0.000 -10.846) 15.400 3.872 ( -0.370 0.000 2.228) 2.258 4.319 ( -12.443 0.000 17.043) 21.102 4.661 ( 2.790 -0.000 0.014) 2.790 4.726 ( 8.535 -0.000 -13.707) 16.147 5.053 ( 4.454 -0.000 -7.837) 9.014 5.457 ( 3.059 -0.000 -3.332) 4.523 5.482 ( 0.400 -0.000 -4.927) 4.943 5.856 ( -0.362 0.000 11.207) 11.213 5.940 ( -2.859 0.000 2.799) 4.001 6.276 ( 1.052 -0.000 -3.922) 4.061 6.458 ( -2.767 0.000 3.152) 4.194 6.728 ( 6.107 -0.000 -1.364) 6.258 6.774 ( 18.790 -0.000 -5.882) 19.689 7.580 ( -4.794 0.000 3.845) 6.146 7.841 ( -0.920 0.000 6.426) 6.492 7.941 ( -2.282 0.000 4.705) 5.229 8.164 ( 10.238 -0.000 -16.698) 19.587 8.313 ( 3.711 -0.000 -0.786) 3.793 8.533 ( 1.130 -0.000 -6.055) 6.159 8.913 ( -13.953 0.000 2.523) 14.179 8.943 ( -14.347 0.000 2.076) 14.496 9.163 ( -5.844 0.000 9.017) 10.745 9.264 ( 2.345 -0.000 -3.612) 4.307 9.804 ( -0.268 0.000 5.767) 5.773 10.536 ( -10.565 0.000 20.969) 23.480 10.630 ( 6.906 -0.000 -9.193) 11.498 11.733 ( 5.958 -0.000 -5.250) 7.940 13.987 ( -1.728 0.000 1.722) 2.439 14.079 ( 0.717 -0.000 -2.125) 2.243 14.384 ( 2.789 -0.000 0.827) 2.909 15.003 ( 6.817 -0.000 -11.972) 13.776 15.951 ( -2.823 0.000 3.479) 4.480 16.153 ( -0.671 0.000 1.578) 1.715 16.907 ( 1.585 -0.000 -0.314) 1.616 17.082 ( 7.832 -0.000 -4.050) 8.817 17.729 ( -8.380 0.000 6.903) 10.858 18.110 ( 0.381 -0.000 -9.146) 9.154 21.564 ( -7.394 0.000 6.052) 9.555 21.622 ( -7.158 0.000 4.832) 8.636 22.969 ( -1.482 0.000 3.804) 4.082 23.011 ( 2.778 -0.000 8.411) 8.858 23.191 ( 5.419 -0.000 -8.844) 10.372 23.303 ( 0.922 -0.000 -3.931) 4.038 23.656 ( -0.523 0.000 1.882) 1.953 23.752 ( -0.191 0.000 -0.347) 0.396 24.127 ( -10.981 0.000 13.387) 17.314 24.939 ( 1.568 -0.000 -0.875) 1.796 25.029 ( 0.194 -0.000 2.234) 2.243 25.235 ( 1.432 -0.000 -1.351) 1.969 25.405 ( 1.548 -0.000 0.998) 1.842 26.123 ( 7.889 -0.000 -12.921) 15.139 ======================= Grid point 130 (64/116) ======================= q-point: (-0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 7.375 2.360 13.423) 15.497 1.064 ( -3.502 7.278 5.560) 9.806 1.159 ( -1.759 -3.733 2.205) 4.679 1.282 ( -5.954 -1.030 2.824) 6.670 1.379 ( -2.549 -1.262 9.433) 9.853 1.450 ( -1.947 0.918 -2.547) 3.335 1.567 ( 3.024 -0.427 -1.788) 3.539 1.606 ( 2.203 2.872 -0.257) 3.629 1.659 ( -0.638 3.612 -0.181) 3.673 1.697 ( -0.717 1.034 -4.184) 4.369 1.718 ( 2.982 2.388 3.948) 5.494 1.730 ( -1.781 1.760 -0.903) 2.662 1.775 ( -3.049 -1.173 0.587) 3.319 1.919 ( -0.991 -2.220 -0.158) 2.436 2.015 ( -2.456 3.849 2.169) 5.055 2.044 ( -1.524 -0.266 -5.665) 5.873 2.077 ( 2.809 1.761 1.647) 3.702 2.118 ( 0.518 -2.072 0.005) 2.136 2.349 ( -4.773 1.684 11.637) 12.690 2.393 ( -1.973 -2.576 3.709) 4.928 2.459 ( -3.817 -2.105 3.109) 5.354 2.567 ( -7.174 -2.409 10.373) 12.840 2.673 ( 3.655 -1.399 -4.285) 5.804 2.926 ( 2.131 1.723 -4.260) 5.065 3.035 ( 1.551 -1.655 -4.141) 4.721 3.166 ( -3.322 1.459 -8.461) 9.206 3.902 ( 1.003 0.126 2.101) 2.332 3.923 ( 11.058 -1.296 -9.911) 14.906 4.331 ( -13.304 -0.454 19.021) 23.217 4.699 ( 9.593 -0.276 -14.918) 17.739 4.724 ( 2.117 -1.465 2.440) 3.547 5.046 ( 7.055 -0.562 -9.038) 11.479 5.434 ( 0.769 0.226 -5.053) 5.116 5.456 ( 1.201 -0.386 -2.868) 3.133 5.894 ( -3.748 -0.031 2.276) 4.385 5.963 ( -4.448 1.315 10.565) 11.538 6.257 ( 1.862 0.279 -3.085) 3.614 6.461 ( -2.177 0.069 3.924) 4.488 6.775 ( 2.172 1.354 -0.823) 2.688 6.917 ( 8.271 -0.784 -6.995) 10.861 7.539 ( -5.954 -0.581 2.936) 6.664 7.914 ( 1.634 2.751 7.566) 8.215 7.997 ( 0.579 -1.667 6.712) 6.940 8.169 ( 12.559 -0.150 -11.902) 17.304 8.372 ( 4.943 0.508 -2.963) 5.786 8.472 ( 1.035 -1.541 -8.859) 9.052 8.750 ( -10.635 0.572 1.866) 10.813 8.767 ( -10.052 -1.226 2.704) 10.481 9.166 ( -5.500 -0.188 6.330) 8.387 9.263 ( 2.664 -0.349 -3.569) 4.468 9.846 ( -0.117 0.547 2.464) 2.527 10.589 ( 1.712 1.675 -4.546) 5.138 10.634 ( -8.741 -2.377 16.047) 18.427 11.786 ( 7.455 -0.350 -4.240) 8.584 13.975 ( -2.089 -0.077 1.242) 2.432 14.069 ( 1.012 0.081 -1.922) 2.173 14.384 ( -3.029 0.223 0.179) 3.043 14.912 ( 1.914 3.168 -12.990) 13.507 15.948 ( -2.876 0.151 3.701) 4.689 16.161 ( -0.457 0.690 1.861) 2.037 16.903 ( -0.337 1.145 -1.337) 1.792 17.196 ( 12.299 0.029 -4.185) 12.991 17.697 ( -6.589 -1.128 7.056) 9.720 18.040 ( 1.182 -1.627 -5.489) 5.846 21.536 ( -5.321 0.137 6.259) 8.216 21.598 ( -4.882 -0.326 6.649) 8.256 22.976 ( -1.639 0.407 1.995) 2.614 23.099 ( 2.652 1.834 -0.095) 3.226 23.208 ( 6.021 1.091 -4.660) 7.691 23.290 ( 1.816 -4.525 -2.640) 5.545 23.662 ( -1.479 -0.321 1.581) 2.189 23.753 ( 0.609 0.092 -0.101) 0.624 24.129 ( -10.749 -2.284 14.467) 18.168 24.954 ( 1.704 -0.305 -1.190) 2.100 25.065 ( 0.451 0.625 3.516) 3.599 25.245 ( 1.608 0.134 -0.756) 1.782 25.485 ( 5.847 0.151 1.912) 6.154 26.013 ( 0.310 1.223 -15.093) 15.145 ======================= Grid point 131 (65/116) ======================= q-point: (-0.29 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -3.076 7.761 9.548) 12.682 1.119 ( 1.291 2.003 0.503) 2.436 1.219 ( 1.890 -0.527 4.065) 4.514 1.294 ( 3.360 -0.895 7.267) 8.056 1.342 ( -4.306 0.618 -3.522) 5.597 1.423 ( -4.842 4.350 3.498) 7.390 1.557 ( 0.251 0.816 -1.950) 2.129 1.601 ( 2.415 0.599 -2.011) 3.199 1.611 ( -0.015 2.781 0.065) 2.782 1.656 ( 0.163 0.171 1.924) 1.938 1.681 ( -1.838 1.621 0.494) 2.499 1.730 ( -2.108 -0.690 -2.207) 3.129 1.826 ( 1.391 0.809 -0.380) 1.654 1.916 ( 0.654 -4.259 -4.879) 6.509 1.946 ( -1.486 -1.331 -5.029) 5.410 1.984 ( 4.966 5.635 2.322) 7.861 2.102 ( -0.285 3.470 -0.141) 3.484 2.128 ( 0.614 0.114 2.143) 2.232 2.390 ( -5.959 1.350 10.309) 11.984 2.409 ( -2.047 1.071 7.006) 7.377 2.516 ( 2.766 -2.999 1.475) 4.339 2.646 ( -3.593 -4.628 10.867) 12.346 2.730 ( 5.594 -2.671 -1.016) 6.282 2.884 ( 1.774 1.528 -8.529) 8.845 3.021 ( 0.993 1.023 -3.376) 3.665 3.054 ( -1.059 -0.892 -2.303) 2.687 3.936 ( 0.699 0.284 1.643) 1.808 3.977 ( 9.887 -2.068 -11.285) 15.146 4.354 ( -13.938 -1.525 19.891) 24.336 4.682 ( 10.255 -0.698 -15.185) 18.337 4.791 ( 0.351 -1.969 3.091) 3.681 5.067 ( 7.645 -0.864 -8.172) 11.224 5.394 ( 1.978 0.506 -4.997) 5.398 5.439 ( 0.384 -0.615 -2.832) 2.923 5.859 ( -4.002 -0.461 2.178) 4.579 5.968 ( -6.700 3.290 8.933) 11.641 6.258 ( 2.334 0.527 -1.888) 3.048 6.476 ( -1.333 0.063 3.465) 3.713 6.743 ( -3.907 2.189 0.474) 4.504 6.888 ( -2.612 -0.989 -5.692) 6.340 7.495 ( -4.261 -1.549 2.181) 5.031 8.010 ( 3.542 2.843 5.843) 7.401 8.089 ( 2.654 0.489 2.314) 3.555 8.280 ( 5.782 0.094 -2.361) 6.246 8.335 ( 10.706 0.246 -11.848) 15.970 8.389 ( -1.098 -3.145 -10.398) 10.919 8.626 ( -6.546 -0.593 0.124) 6.574 8.805 ( 1.051 -1.095 11.170) 11.272 9.151 ( -6.293 -0.314 6.809) 9.277 9.270 ( 3.650 -0.862 -4.339) 5.736 9.851 ( -0.456 0.512 0.444) 0.817 10.526 ( 3.904 1.287 -10.757) 11.515 10.685 ( -13.938 -0.832 19.458) 23.949 11.847 ( 6.861 -0.351 -5.154) 8.588 13.958 ( -1.983 -0.242 1.085) 2.273 14.067 ( 1.357 0.104 -1.326) 1.900 14.321 ( -4.932 1.026 1.413) 5.232 14.750 ( -0.576 5.008 -9.790) 11.012 15.948 ( -2.666 -0.007 3.849) 4.682 16.168 ( -0.294 1.306 1.786) 2.232 16.860 ( -1.436 1.747 -0.953) 2.454 17.309 ( 11.768 1.048 -8.397) 14.494 17.706 ( -4.483 -2.795 6.025) 8.013 18.063 ( 2.951 -3.570 -0.141) 4.634 21.537 ( -4.053 -0.424 5.907) 7.176 21.632 ( -1.831 0.667 8.472) 8.693 22.957 ( -1.652 -0.343 -0.738) 1.841 23.106 ( 4.530 1.204 -4.955) 6.821 23.192 ( 2.115 3.344 -3.689) 5.409 23.365 ( 3.749 -4.614 -2.085) 6.300 23.655 ( -2.098 -0.550 1.556) 2.669 23.764 ( 0.891 -0.070 0.008) 0.894 24.161 ( -10.351 -3.541 14.523) 18.183 24.965 ( 0.909 -0.951 -1.431) 1.944 25.101 ( -0.422 1.283 3.801) 4.034 25.266 ( 2.666 0.098 -0.991) 2.846 25.559 ( 3.341 4.079 -1.137) 5.393 25.843 ( -0.338 -2.111 -11.908) 12.098 ======================= Grid point 132 (66/116) ======================= q-point: (-0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -6.182 4.617 -1.268) 7.820 1.111 ( -1.112 -1.172 1.871) 2.472 1.190 ( -8.174 3.639 -0.615) 8.968 1.247 ( -1.808 0.542 0.703) 2.014 1.357 ( -0.747 3.002 6.928) 7.587 1.460 ( -1.157 1.944 6.373) 6.763 1.519 ( -1.206 0.487 -0.301) 1.335 1.567 ( -0.143 3.181 -3.303) 4.588 1.609 ( 0.805 2.428 -0.304) 2.576 1.649 ( -0.138 3.245 -1.431) 3.549 1.691 ( -0.929 -0.571 1.744) 2.057 1.725 ( 3.700 -0.425 0.005) 3.724 1.782 ( 0.548 1.823 -1.105) 2.201 1.893 ( -1.659 -5.040 -2.381) 5.816 1.938 ( 1.550 -1.619 0.441) 2.284 2.046 ( -2.629 2.242 -0.494) 3.491 2.093 ( 6.199 0.783 -0.451) 6.264 2.172 ( 1.917 -2.382 -0.874) 3.180 2.402 ( -6.052 1.567 10.038) 11.825 2.478 ( 1.798 3.697 8.023) 9.015 2.600 ( 5.845 -1.419 -0.480) 6.034 2.735 ( -3.676 -3.946 7.483) 9.224 2.774 ( 0.543 1.815 -5.561) 5.875 2.852 ( 6.545 -1.675 -0.013) 6.756 3.011 ( 3.005 1.133 -3.142) 4.493 3.047 ( 1.152 -1.162 -1.119) 1.983 3.950 ( -0.736 0.520 1.350) 1.623 3.993 ( 8.381 -2.001 -13.423) 15.951 4.381 ( -14.727 -2.841 19.587) 24.670 4.678 ( 10.449 -0.068 -13.718) 17.244 4.826 ( -0.718 -1.557 0.769) 1.879 5.098 ( 5.585 -0.394 -5.240) 7.668 5.380 ( 3.747 0.822 -4.056) 5.583 5.421 ( 1.695 -0.367 -3.455) 3.866 5.836 ( -4.376 -2.105 2.707) 5.559 5.923 ( -6.254 4.187 6.800) 10.143 6.272 ( 2.621 1.182 -1.110) 3.082 6.495 ( -1.437 -0.145 3.302) 3.604 6.654 ( -6.338 1.203 0.809) 6.501 6.757 ( -5.788 -0.160 -6.286) 8.546 7.498 ( -1.463 -2.185 3.131) 4.089 8.071 ( 0.104 2.391 1.479) 2.813 8.104 ( 0.856 2.620 -2.826) 3.947 8.185 ( 3.295 0.449 -11.231) 11.713 8.300 ( 0.736 -3.347 -7.620) 8.356 8.543 ( 13.480 -2.496 -2.641) 13.962 8.573 ( -0.427 -0.014 3.535) 3.560 8.968 ( -0.856 -2.132 12.306) 12.518 9.142 ( -6.904 0.654 9.661) 11.893 9.298 ( 5.763 -0.513 -3.961) 7.012 9.839 ( -1.079 -0.301 -0.345) 1.172 10.459 ( 5.671 1.926 -10.954) 12.485 10.665 ( -16.004 0.551 17.198) 23.499 11.871 ( 5.120 -0.030 -6.960) 8.641 13.948 ( -1.451 -0.430 1.336) 2.018 14.077 ( 1.472 0.084 -0.776) 1.666 14.264 ( -3.701 2.184 2.159) 4.809 14.636 ( 1.226 1.672 -4.876) 5.298 15.953 ( -2.573 -0.314 3.763) 4.569 16.169 ( -0.288 1.649 1.374) 2.165 16.823 ( -0.864 1.141 -0.101) 1.435 17.332 ( 8.439 2.962 -11.044) 14.211 17.736 ( -3.412 -3.593 4.942) 6.999 18.156 ( 3.504 -3.151 1.677) 5.002 21.552 ( -3.550 -1.301 5.576) 6.737 21.713 ( 0.076 2.264 10.107) 10.358 22.923 ( -1.658 -1.289 -2.108) 2.975 23.082 ( 3.887 1.498 -9.743) 10.596 23.174 ( 1.503 2.327 0.970) 2.935 23.402 ( 3.169 -0.907 -4.562) 5.628 23.647 ( -1.989 -0.626 1.553) 2.600 23.778 ( 0.610 -0.352 0.023) 0.704 24.192 ( -10.218 -2.178 13.725) 17.249 24.965 ( -0.340 -1.656 -1.327) 2.149 25.105 ( -2.001 1.954 2.359) 3.659 25.289 ( 3.207 1.445 -3.039) 4.648 25.506 ( -0.347 1.348 -2.026) 2.458 25.799 ( 3.871 -2.454 -7.701) 8.962 ======================= Grid point 137 (67/116) ======================= q-point: (-0.43 0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -5.061 0.000 6.616) 8.330 1.140 ( -0.347 0.000 -1.372) 1.415 1.244 ( 11.572 -0.000 11.373) 16.225 1.249 ( -0.802 0.000 3.516) 3.606 1.345 ( -4.528 0.000 -3.746) 5.877 1.468 ( -0.978 0.000 7.718) 7.779 1.551 ( -6.118 0.000 -4.702) 7.716 1.607 ( 3.678 -0.000 -1.609) 4.015 1.657 ( 1.472 -0.000 1.773) 2.305 1.662 ( -1.307 0.000 -2.196) 2.555 1.708 ( -1.750 0.000 -0.312) 1.778 1.714 ( -1.881 0.000 -0.495) 1.945 1.834 ( 3.163 -0.000 0.482) 3.200 1.855 ( 0.151 -0.000 -5.813) 5.815 1.935 ( -2.638 0.000 -4.906) 5.570 2.036 ( 3.845 -0.000 -1.686) 4.199 2.117 ( 0.154 -0.000 -0.882) 0.895 2.146 ( -2.602 0.000 4.040) 4.806 2.417 ( -7.862 0.000 15.902) 17.739 2.435 ( 0.518 -0.000 3.563) 3.600 2.466 ( 4.578 -0.000 2.846) 5.390 2.598 ( -4.795 0.000 11.753) 12.693 2.709 ( 6.800 -0.000 -1.879) 7.055 2.895 ( 1.563 -0.000 -8.169) 8.317 3.029 ( 3.171 -0.000 -2.533) 4.058 3.046 ( -3.113 0.000 -3.750) 4.873 3.940 ( -0.237 0.000 3.152) 3.161 3.957 ( 10.757 -0.000 -12.363) 16.388 4.339 ( -13.977 0.000 19.160) 23.716 4.676 ( 10.029 -0.000 -14.598) 17.711 4.773 ( 1.011 -0.000 2.675) 2.859 5.060 ( 7.733 -0.000 -7.912) 11.064 5.398 ( 1.978 -0.000 -4.792) 5.184 5.433 ( 0.692 -0.000 -3.174) 3.248 5.855 ( -4.147 0.000 1.887) 4.556 5.999 ( -6.828 0.000 9.715) 11.875 6.261 ( 3.039 -0.000 -2.915) 4.211 6.476 ( -1.890 0.000 4.040) 4.460 6.758 ( -5.388 0.000 0.721) 5.436 6.884 ( -1.402 0.000 -5.612) 5.785 7.480 ( -4.387 0.000 1.879) 4.772 8.042 ( 2.058 -0.000 7.051) 7.345 8.085 ( 3.806 -0.000 2.658) 4.642 8.286 ( 9.876 -0.000 -2.577) 10.207 8.336 ( 0.094 -0.000 -9.497) 9.498 8.357 ( 6.511 -0.000 -14.348) 15.756 8.622 ( -6.771 0.000 0.074) 6.771 8.795 ( 0.855 -0.000 10.895) 10.928 9.148 ( -6.481 0.000 7.160) 9.657 9.261 ( 4.068 -0.000 -5.153) 6.565 9.858 ( -1.008 0.000 1.081) 1.478 10.538 ( 3.857 -0.000 -10.718) 11.391 10.679 ( -13.138 0.000 20.009) 23.937 11.843 ( 6.881 -0.000 -4.981) 8.495 13.956 ( -2.035 0.000 1.093) 2.310 14.068 ( 1.377 -0.000 -1.369) 1.942 14.331 ( -4.767 0.000 1.638) 5.041 14.792 ( -1.430 0.000 -10.748) 10.842 15.948 ( -2.781 0.000 3.791) 4.701 16.180 ( -0.348 0.000 1.844) 1.877 16.876 ( -1.675 0.000 -1.246) 2.088 17.319 ( 12.136 -0.000 -7.686) 14.365 17.681 ( -4.525 0.000 5.824) 7.375 18.032 ( 3.205 -0.000 -0.367) 3.226 21.533 ( -4.215 0.000 5.791) 7.162 21.637 ( -1.535 0.000 8.686) 8.820 22.954 ( -1.903 0.000 -1.018) 2.158 23.116 ( 4.915 -0.000 -7.081) 8.620 23.242 ( 0.678 -0.000 -2.793) 2.874 23.302 ( 5.098 -0.000 0.640) 5.138 23.652 ( -1.817 0.000 1.428) 2.311 23.763 ( 0.809 -0.000 -0.077) 0.813 24.132 ( -9.542 0.000 14.681) 17.509 24.957 ( 0.901 -0.000 -1.697) 1.921 25.112 ( -0.514 0.000 4.093) 4.125 25.265 ( 2.169 -0.000 -0.712) 2.283 25.604 ( 7.476 -0.000 0.043) 7.476 25.815 ( -4.555 0.000 -13.589) 14.332 ======================= Grid point 139 (68/116) ======================= q-point: (-0.29 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -5.229 4.198 -3.447) 7.539 1.091 ( -4.526 -1.426 2.026) 5.160 1.227 ( -5.595 0.798 -1.469) 5.839 1.269 ( -3.491 1.391 -0.172) 3.762 1.423 ( -2.896 4.911 6.809) 8.881 1.473 ( 2.353 -0.256 7.651) 8.008 1.537 ( -1.806 -0.649 2.128) 2.865 1.596 ( -0.729 0.848 -3.196) 3.386 1.636 ( 2.357 0.576 -1.379) 2.791 1.666 ( -2.122 0.266 -0.096) 2.141 1.701 ( -0.208 0.861 1.533) 1.770 1.726 ( 3.394 1.007 2.388) 4.270 1.807 ( -0.742 -4.362 -3.905) 5.901 1.813 ( -2.067 1.264 -0.886) 2.580 1.910 ( 2.657 -1.326 -1.765) 3.455 2.070 ( -5.177 0.758 1.276) 5.386 2.088 ( -4.202 -1.223 1.331) 4.574 2.142 ( 8.823 -0.292 -5.308) 10.301 2.436 ( -8.137 1.456 12.455) 14.949 2.537 ( 3.824 2.685 3.272) 5.704 2.589 ( 9.679 -0.070 1.959) 9.875 2.667 ( -3.989 -3.313 9.342) 10.684 2.801 ( 0.778 1.368 -6.118) 6.318 2.829 ( 7.349 -1.221 -0.738) 7.486 3.006 ( 0.252 -0.715 -0.298) 0.814 3.049 ( 3.522 0.543 -3.256) 4.827 3.957 ( 0.380 0.353 -0.137) 0.537 3.967 ( 7.780 -0.991 -11.384) 13.824 4.342 ( -14.473 -1.368 18.444) 23.484 4.678 ( 10.609 0.034 -12.650) 16.510 4.804 ( 0.375 -0.824 0.239) 0.936 5.095 ( 5.774 -0.055 -4.293) 7.195 5.393 ( 4.219 0.682 -4.185) 5.982 5.412 ( 1.889 -0.573 -3.771) 4.257 5.813 ( -5.057 -0.671 2.119) 5.524 5.980 ( -7.296 2.084 7.612) 10.748 6.281 ( 3.739 0.092 -2.670) 4.596 6.493 ( -2.039 -0.083 3.990) 4.482 6.649 ( -9.417 -0.711 0.782) 9.476 6.779 ( -3.521 1.415 -5.078) 6.339 7.468 ( -1.178 -1.097 2.665) 3.113 8.100 ( -1.690 1.167 1.760) 2.705 8.134 ( -0.842 0.615 -3.214) 3.379 8.196 ( 5.077 0.641 -10.745) 11.901 8.257 ( 2.575 -1.497 -6.915) 7.529 8.504 ( 8.215 -1.371 -6.518) 10.576 8.583 ( 4.804 0.486 5.409) 7.251 8.940 ( -0.911 -0.973 11.835) 11.910 9.147 ( -6.276 0.039 10.256) 12.024 9.283 ( 6.061 -0.751 -4.500) 7.586 9.844 ( -1.770 0.460 0.572) 1.916 10.483 ( 5.444 0.837 -10.347) 11.722 10.673 ( -15.313 0.310 17.289) 23.097 11.869 ( 5.232 -0.092 -6.784) 8.567 13.943 ( -1.474 -0.159 1.291) 1.966 14.078 ( 1.483 0.057 -0.801) 1.686 14.293 ( -3.407 0.995 3.294) 4.842 14.654 ( -2.111 0.502 -7.471) 7.780 15.949 ( -2.774 -0.129 3.754) 4.670 16.190 ( -0.343 0.706 1.428) 1.629 16.838 ( -1.456 0.471 -0.591) 1.640 17.376 ( 9.920 1.737 -10.154) 14.301 17.688 ( -3.185 -1.768 4.368) 5.688 18.113 ( 4.453 -1.531 2.369) 5.272 21.537 ( -3.833 -0.449 5.241) 6.509 21.740 ( 0.954 0.884 10.990) 11.067 22.908 ( -1.904 -0.448 -2.123) 2.886 23.098 ( 5.105 0.467 -9.683) 10.956 23.213 ( 0.216 1.804 -1.463) 2.333 23.378 ( 4.048 -1.394 -1.327) 4.483 23.643 ( -1.624 0.029 1.718) 2.365 23.773 ( 0.519 -0.185 -0.208) 0.589 24.166 ( -8.811 -0.835 14.800) 17.245 24.945 ( 0.145 -0.645 -2.186) 2.284 25.130 ( -2.317 0.860 3.135) 3.992 25.292 ( 2.752 -0.306 -1.672) 3.234 25.578 ( -2.603 5.752 -7.144) 9.534 25.726 ( 4.675 -5.417 -5.056) 8.762 ======================= Grid point 140 (69/116) ======================= q-point: (-0.14 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -9.342 4.565 -2.481) 10.690 1.020 ( -11.010 -2.084 3.105) 11.628 1.132 ( -3.661 2.245 1.057) 4.423 1.216 ( -1.691 -1.770 0.639) 2.530 1.444 ( -5.238 3.589 0.463) 6.366 1.480 ( -1.914 2.357 8.290) 8.829 1.522 ( -2.218 1.271 2.442) 3.535 1.556 ( 0.654 1.476 -1.970) 2.547 1.605 ( -0.505 0.186 -2.820) 2.871 1.672 ( 1.055 2.542 0.005) 2.752 1.725 ( 1.196 0.579 0.490) 1.417 1.766 ( -3.411 -2.407 0.265) 4.183 1.796 ( 2.700 -0.696 2.346) 3.644 1.848 ( 2.798 -1.459 1.304) 3.415 1.928 ( -5.137 -1.735 -2.382) 5.922 1.984 ( -2.503 -2.328 4.916) 5.987 2.077 ( -3.926 -3.616 2.804) 6.029 2.210 ( 7.530 2.241 -4.270) 8.942 2.433 ( -8.860 1.104 12.231) 15.143 2.542 ( -1.025 3.198 -1.147) 3.549 2.668 ( -1.374 1.263 0.315) 1.893 2.713 ( -4.877 -2.194 4.367) 6.905 2.847 ( 14.362 0.325 -2.707) 14.618 2.931 ( 5.129 -0.327 -2.981) 5.941 3.050 ( 3.083 2.244 -1.577) 4.126 3.074 ( 5.487 -2.966 1.802) 6.492 3.944 ( -2.278 0.396 0.436) 2.353 3.952 ( 8.314 -0.306 -13.053) 15.478 4.343 ( -14.419 -2.295 17.391) 22.707 4.702 ( 10.537 0.680 -11.011) 15.256 4.799 ( 0.903 -0.587 -4.185) 4.321 5.125 ( 2.030 0.558 -1.012) 2.336 5.390 ( 3.638 0.441 -5.149) 6.320 5.444 ( 6.714 -0.043 -3.811) 7.720 5.753 ( -7.182 -2.305 1.481) 7.686 5.939 ( -4.967 2.443 6.049) 8.200 6.304 ( 3.145 0.060 -2.482) 4.007 6.505 ( -1.806 0.142 2.942) 3.456 6.543 ( -6.010 -1.057 0.564) 6.128 6.660 ( -1.351 2.721 -5.581) 6.354 7.511 ( -0.395 -1.791 4.188) 4.572 7.998 ( -4.357 0.566 -6.942) 8.215 8.042 ( -2.689 0.502 -2.223) 3.524 8.225 ( 11.233 1.629 -10.245) 15.290 8.262 ( 2.317 -0.316 -2.794) 3.643 8.500 ( 0.926 -3.532 -3.143) 4.818 8.793 ( 9.943 0.227 5.730) 11.478 9.029 ( -4.309 -1.699 9.504) 10.572 9.197 ( -4.695 1.816 15.041) 15.861 9.338 ( 3.189 -1.120 -1.201) 3.587 9.808 ( -3.313 0.676 0.148) 3.384 10.467 ( 8.882 1.505 -9.617) 13.177 10.614 ( -16.037 0.815 15.526) 22.336 11.849 ( 3.572 0.116 -8.391) 9.120 13.945 ( -0.782 -0.356 1.677) 1.884 14.090 ( 1.228 0.095 -0.643) 1.390 14.275 ( -2.071 3.081 3.269) 4.946 14.591 ( 1.196 -4.557 -4.235) 6.335 15.950 ( -2.942 -0.383 3.593) 4.660 16.189 ( -0.280 1.279 0.742) 1.505 16.818 ( -0.381 0.000 0.034) 0.383 17.360 ( 7.266 5.055 -10.600) 13.810 17.714 ( -2.342 -3.214 3.856) 5.539 18.211 ( 3.806 -1.277 0.979) 4.132 21.543 ( -4.064 -1.301 5.016) 6.586 21.885 ( 2.712 3.940 12.561) 13.441 22.865 ( -1.729 -0.783 -1.569) 2.462 23.035 ( 2.220 1.731 -9.387) 9.800 23.193 ( 0.361 -0.334 -1.796) 1.862 23.410 ( 3.765 1.001 -3.519) 5.251 23.642 ( -1.215 0.373 2.030) 2.395 23.776 ( -0.091 -0.540 -0.449) 0.708 24.204 ( -8.773 0.574 15.026) 17.409 24.928 ( 0.054 -1.205 -2.336) 2.629 25.098 ( -3.460 1.651 1.063) 3.978 25.287 ( 0.928 0.771 -4.551) 4.708 25.484 ( 0.524 -1.012 -1.708) 2.053 25.766 ( 4.577 -2.820 -6.581) 8.497 ======================= Grid point 146 (70/116) ======================= q-point: (-0.29 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -8.787 0.000 -4.911) 10.066 0.985 ( -11.786 0.000 4.824) 12.735 1.167 ( -6.173 0.000 -0.239) 6.178 1.191 ( -1.336 0.000 1.622) 2.101 1.490 ( -4.849 0.000 -1.711) 5.143 1.506 ( -5.473 0.000 4.366) 7.001 1.514 ( -0.432 0.000 2.962) 2.993 1.569 ( 0.239 -0.000 -0.154) 0.285 1.643 ( 0.807 -0.000 -1.267) 1.502 1.654 ( -1.863 0.000 2.855) 3.409 1.725 ( -1.226 0.000 1.422) 1.878 1.746 ( -2.696 0.000 2.416) 3.620 1.784 ( 2.117 -0.000 -0.741) 2.243 1.851 ( 4.380 -0.000 3.143) 5.391 1.906 ( -2.761 0.000 -2.598) 3.791 1.959 ( -5.012 0.000 3.370) 6.040 2.050 ( -3.276 0.000 2.776) 4.294 2.228 ( 8.404 -0.000 -4.313) 9.446 2.443 ( -9.748 0.000 12.638) 15.961 2.571 ( -0.144 0.000 -1.191) 1.199 2.675 ( -4.604 0.000 6.712) 8.139 2.699 ( -1.778 0.000 -2.914) 3.414 2.850 ( 15.624 -0.000 -3.616) 16.037 2.928 ( 5.882 -0.000 -2.863) 6.542 3.044 ( 4.857 -0.000 1.735) 5.157 3.070 ( 2.662 -0.000 -1.679) 3.147 3.948 ( -2.681 0.000 1.392) 3.020 3.950 ( 9.422 -0.000 -13.444) 16.417 4.322 ( -14.328 0.000 17.855) 22.893 4.709 ( 11.167 -0.000 -11.548) 16.064 4.792 ( 1.209 -0.000 -3.879) 4.063 5.130 ( 1.873 -0.000 -0.378) 1.910 5.396 ( 3.489 -0.000 -4.983) 6.083 5.441 ( 7.067 -0.000 -4.378) 8.313 5.733 ( -7.462 0.000 1.063) 7.537 5.962 ( -6.105 0.000 6.454) 8.884 6.302 ( 3.305 -0.000 -3.552) 4.852 6.507 ( -1.687 0.000 4.116) 4.449 6.534 ( -6.212 0.000 1.743) 6.452 6.685 ( -1.051 0.000 -6.714) 6.796 7.494 ( -0.259 0.000 4.111) 4.119 8.001 ( -4.006 0.000 -7.339) 8.361 8.045 ( -2.955 0.000 -2.363) 3.784 8.239 ( 11.148 -0.000 -10.424) 15.263 8.264 ( 2.401 -0.000 -1.601) 2.886 8.466 ( 0.834 -0.000 -3.999) 4.085 8.796 ( 9.748 -0.000 5.620) 11.252 9.013 ( -4.148 0.000 9.587) 10.445 9.213 ( -3.838 0.000 15.982) 16.436 9.324 ( 3.490 -0.000 -2.043) 4.044 9.818 ( -3.325 0.000 0.902) 3.446 10.480 ( 8.923 -0.000 -9.782) 13.240 10.621 ( -16.293 0.000 15.924) 22.782 11.850 ( 3.695 -0.000 -8.365) 9.145 13.942 ( -0.811 0.000 1.659) 1.846 14.091 ( 1.229 -0.000 -0.609) 1.372 14.306 ( -1.469 0.000 4.220) 4.468 14.545 ( -2.009 0.000 -5.855) 6.190 15.947 ( -3.049 0.000 3.656) 4.761 16.201 ( -0.232 0.000 0.688) 0.726 16.818 ( -0.754 0.000 -0.192) 0.778 17.411 ( 8.995 -0.000 -10.558) 13.871 17.681 ( -2.656 0.000 3.823) 4.655 18.199 ( 4.272 -0.000 1.395) 4.494 21.532 ( -4.112 0.000 4.859) 6.366 21.919 ( 4.136 -0.000 13.502) 14.121 22.858 ( -1.790 0.000 -1.215) 2.164 23.051 ( 3.437 -0.000 -10.823) 11.356 23.191 ( -0.838 0.000 -2.237) 2.389 23.417 ( 4.012 -0.000 -2.281) 4.615 23.646 ( -0.886 0.000 2.175) 2.348 23.771 ( -0.102 0.000 -0.600) 0.609 24.210 ( -7.848 0.000 16.003) 17.824 24.917 ( 0.510 -0.000 -2.814) 2.860 25.114 ( -3.906 0.000 1.699) 4.260 25.291 ( 1.086 -0.000 -4.356) 4.490 25.484 ( -0.767 0.000 -4.493) 4.558 25.732 ( 4.020 -0.000 -5.306) 6.657 ======================= Grid point 147 (71/116) ======================= q-point: (-0.14 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -12.779 1.799 1.768) 13.025 0.890 ( -13.532 -2.532 10.692) 17.431 1.115 ( -2.115 1.099 2.210) 3.250 1.199 ( -1.185 -1.616 0.765) 2.145 1.348 ( -9.466 -0.367 -0.883) 9.514 1.462 ( -7.545 0.767 4.515) 8.826 1.505 ( -6.312 -3.611 3.717) 8.167 1.554 ( -4.667 3.027 -0.764) 5.615 1.588 ( -1.830 0.759 1.608) 2.552 1.650 ( -2.274 0.255 -1.516) 2.745 1.699 ( -0.452 -3.131 0.944) 3.302 1.762 ( 1.308 2.549 2.872) 4.057 1.827 ( 1.201 -1.019 1.425) 2.124 1.891 ( 0.919 1.253 2.664) 3.084 1.911 ( 1.061 1.837 1.090) 2.385 1.992 ( -0.495 -4.897 2.155) 5.373 2.069 ( 1.561 -0.788 3.397) 3.820 2.289 ( 5.030 1.735 -1.644) 5.569 2.452 ( -7.960 1.386 13.436) 15.678 2.514 ( -1.908 1.599 -3.418) 4.228 2.633 ( -2.043 0.480 -1.959) 2.871 2.670 ( -5.372 -1.317 4.569) 7.174 2.929 ( 2.598 0.364 -6.517) 7.025 2.994 ( 9.412 0.256 -3.282) 9.971 3.065 ( -3.154 0.819 0.572) 3.309 3.153 ( 5.415 -3.220 -2.686) 6.849 3.915 ( -2.429 0.474 0.350) 2.500 3.946 ( 8.624 1.025 -11.422) 14.349 4.315 ( -13.825 -0.771 17.624) 22.412 4.741 ( 10.494 0.427 -11.639) 15.678 4.757 ( 2.912 0.081 -7.450) 7.999 5.131 ( -1.067 0.453 -0.084) 1.162 5.400 ( 5.057 0.700 -5.268) 7.336 5.480 ( 4.666 -1.392 -6.548) 8.159 5.673 ( -1.985 -1.059 3.008) 3.757 5.953 ( -3.850 0.851 5.622) 6.867 6.294 ( 0.782 -0.733 -3.590) 3.747 6.498 ( -0.639 1.105 1.011) 1.628 6.535 ( -3.053 0.289 4.833) 5.724 6.621 ( 6.908 0.545 -8.958) 11.325 7.539 ( -1.400 -1.008 5.033) 5.320 7.881 ( -3.482 0.361 -3.829) 5.188 7.997 ( -1.644 0.154 0.209) 1.664 8.256 ( 3.961 1.108 -6.708) 7.868 8.268 ( 7.711 0.014 -9.954) 12.591 8.470 ( 2.883 -2.385 -2.395) 4.443 8.965 ( 4.825 0.093 4.943) 6.908 9.049 ( -5.075 -0.619 8.810) 10.186 9.308 ( -2.383 -0.003 -1.784) 2.977 9.404 ( 2.265 1.384 19.869) 20.045 9.747 ( -7.738 1.907 1.115) 8.047 10.525 ( 8.955 1.458 -6.689) 11.272 10.575 ( -11.563 0.270 16.166) 19.877 11.800 ( 3.122 0.177 -9.035) 9.561 13.954 ( -0.404 -0.273 1.916) 1.977 14.098 ( 0.777 0.134 -0.861) 1.167 14.320 ( -0.817 3.404 3.499) 4.949 14.507 ( 1.409 -8.089 -4.465) 9.346 15.941 ( -3.236 -0.240 3.653) 4.886 16.198 ( 0.006 0.731 -0.407) 0.837 16.813 ( -0.024 -0.561 0.079) 0.567 17.384 ( 6.122 4.835 -12.192) 14.474 17.700 ( -2.337 -2.349 4.370) 5.484 18.250 ( 2.509 -0.177 -2.112) 3.285 21.525 ( -4.486 -0.704 4.872) 6.660 22.125 ( 6.723 5.338 7.907) 11.671 22.833 ( -1.349 -0.171 0.862) 1.610 22.971 ( -0.383 0.438 -4.574) 4.610 23.152 ( -0.901 -1.127 -3.026) 3.353 23.437 ( 3.986 1.021 -3.988) 5.730 23.664 ( -0.091 0.886 2.862) 2.998 23.758 ( -0.485 -0.387 -0.971) 1.152 24.291 ( -5.909 3.209 19.370) 20.504 24.903 ( 1.617 -0.507 -2.784) 3.259 25.059 ( -3.956 0.990 0.238) 4.085 25.238 ( 0.215 -0.441 -5.197) 5.220 25.477 ( 1.447 -0.825 -0.836) 1.864 25.703 ( 1.186 -4.602 -8.631) 9.853 ======================= Grid point 154 (72/116) ======================= q-point: (-0.14 -0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -12.500 0.000 8.266) 14.986 0.770 ( -17.819 0.000 8.195) 19.613 1.121 ( -11.516 0.000 13.313) 17.603 1.160 ( -0.013 0.000 6.326) 6.326 1.261 ( -3.435 0.000 3.388) 4.825 1.390 ( -8.176 0.000 3.242) 8.795 1.437 ( -6.499 0.000 4.428) 7.864 1.509 ( -3.925 0.000 2.977) 4.926 1.537 ( -0.987 0.000 -2.701) 2.876 1.645 ( -2.419 0.000 0.483) 2.467 1.704 ( 2.337 -0.000 0.342) 2.362 1.841 ( 0.257 -0.000 5.481) 5.487 1.868 ( 2.662 -0.000 0.356) 2.686 1.910 ( -4.308 0.000 1.348) 4.514 1.919 ( -0.734 0.000 -1.118) 1.337 1.976 ( -0.149 0.000 2.703) 2.707 2.142 ( 5.023 -0.000 -1.282) 5.184 2.333 ( -0.035 0.000 -1.370) 1.371 2.438 ( 0.846 -0.000 -4.910) 4.982 2.541 ( -3.279 0.000 8.258) 8.885 2.614 ( 1.911 -0.000 4.122) 4.544 2.632 ( -6.733 0.000 6.406) 9.294 2.883 ( 0.412 -0.000 -6.470) 6.483 2.991 ( -5.411 0.000 0.057) 5.411 3.021 ( -2.290 0.000 -11.689) 11.911 3.109 ( -0.309 0.000 1.044) 1.089 3.890 ( -1.704 0.000 0.552) 1.791 3.947 ( 8.028 -0.000 -12.138) 14.553 4.308 ( -13.275 0.000 17.951) 22.326 4.739 ( 3.400 -0.000 -3.553) 4.918 4.757 ( 11.115 -0.000 -14.564) 18.320 5.113 ( 0.936 -0.000 -2.488) 2.658 5.430 ( 4.895 -0.000 -3.515) 6.026 5.441 ( 2.514 -0.000 -5.786) 6.309 5.737 ( 2.390 -0.000 5.166) 5.692 5.957 ( -3.560 0.000 4.154) 5.470 6.258 ( 0.141 -0.000 -3.021) 3.024 6.500 ( -4.158 0.000 0.619) 4.204 6.525 ( 2.163 -0.000 0.727) 2.282 6.717 ( 15.110 -0.000 -6.086) 16.289 7.561 ( -2.875 0.000 5.310) 6.039 7.813 ( -3.579 0.000 0.394) 3.601 7.998 ( -0.711 0.000 1.942) 2.068 8.245 ( 9.465 -0.000 -15.942) 18.540 8.253 ( 0.731 -0.000 0.017) 0.731 8.483 ( 4.349 -0.000 -4.140) 6.005 9.045 ( -0.409 0.000 2.885) 2.914 9.050 ( -9.236 0.000 8.934) 12.850 9.216 ( -2.009 0.000 -5.290) 5.659 9.579 ( -10.745 0.000 -0.817) 10.776 9.716 ( 4.381 -0.000 10.949) 11.793 10.599 ( 11.056 -0.000 -10.142) 15.003 10.703 ( -3.072 0.000 27.892) 28.061 11.757 ( 4.355 -0.000 -8.310) 9.382 13.968 ( -0.553 0.000 1.910) 1.988 14.098 ( 0.579 -0.000 -0.937) 1.102 14.372 ( -0.393 0.000 3.767) 3.787 14.430 ( 1.957 -0.000 -4.458) 4.869 15.934 ( -3.244 0.000 3.891) 5.066 16.186 ( -0.444 0.000 -2.398) 2.439 16.811 ( -0.056 0.000 0.123) 0.135 17.293 ( -0.784 0.000 -15.708) 15.728 17.712 ( -2.721 0.000 6.239) 6.807 18.238 ( 1.329 -0.000 -4.120) 4.329 21.511 ( -4.427 0.000 5.180) 6.814 22.165 ( -3.719 0.000 -15.402) 15.845 22.840 ( -0.830 0.000 3.463) 3.561 23.032 ( 5.282 -0.000 9.429) 10.808 23.095 ( -0.825 0.000 -3.546) 3.641 23.454 ( 4.050 -0.000 -4.398) 5.978 23.712 ( 0.882 -0.000 3.228) 3.347 23.739 ( -0.145 0.000 -1.063) 1.073 24.582 ( 8.777 -0.000 26.551) 27.965 24.906 ( 2.956 -0.000 -2.412) 3.815 25.009 ( -3.163 0.000 -0.183) 3.168 25.187 ( 1.240 -0.000 -4.622) 4.785 25.496 ( 1.793 -0.000 -0.556) 1.877 25.514 ( -8.124 0.000 -8.235) 11.568 ======================= Grid point 155 (73/116) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 2.536 -0.000 8.230) 8.612 1.038 ( 3.973 -0.000 6.538) 7.651 1.181 ( -3.081 0.000 -2.673) 4.078 1.297 ( -1.122 0.000 -3.974) 4.129 1.298 ( -2.524 0.000 1.836) 3.121 1.377 ( -0.744 0.000 1.290) 1.489 1.464 ( 5.620 -0.000 0.243) 5.625 1.512 ( -2.083 0.000 2.418) 3.192 1.621 ( -2.013 0.000 -1.936) 2.793 1.643 ( 1.274 -0.000 1.241) 1.778 1.691 ( -3.638 0.000 -4.320) 5.648 1.768 ( 0.036 -0.000 -1.768) 1.768 1.819 ( 0.211 -0.000 -2.296) 2.306 1.835 ( -7.157 0.000 -2.992) 7.757 1.893 ( 0.708 -0.000 -0.084) 0.713 1.948 ( 2.871 -0.000 1.740) 3.357 1.986 ( -0.026 0.000 1.974) 1.974 2.126 ( -3.216 0.000 -1.957) 3.765 2.477 ( -0.386 0.000 0.892) 0.971 2.584 ( 2.575 -0.000 0.640) 2.654 2.650 ( -3.333 0.000 4.838) 5.875 2.706 ( -8.236 0.000 7.085) 10.864 2.723 ( 0.822 -0.000 0.955) 1.260 2.894 ( 2.147 -0.000 -1.753) 2.772 3.008 ( -3.279 0.000 5.650) 6.533 3.079 ( -1.740 0.000 -1.596) 2.361 3.787 ( 8.021 -0.000 -8.187) 11.462 3.894 ( 5.949 -0.000 -3.923) 7.126 4.455 ( 3.767 -0.000 -5.156) 6.386 4.781 ( 11.066 -0.000 -11.387) 15.879 4.810 ( -10.816 0.000 20.241) 22.950 5.020 ( -2.271 0.000 2.894) 3.679 5.313 ( 0.315 -0.000 -2.995) 3.012 5.479 ( 0.212 -0.000 -3.270) 3.277 5.918 ( -5.045 0.000 5.890) 7.755 6.094 ( -6.872 0.000 8.154) 10.663 6.151 ( 3.940 -0.000 -4.915) 6.299 6.418 ( 4.711 -0.000 -3.317) 5.761 6.653 ( 2.883 -0.000 1.861) 3.431 6.855 ( 4.684 -0.000 -8.893) 10.051 7.651 ( -5.077 0.000 4.408) 6.724 7.921 ( 2.623 -0.000 -5.836) 6.398 7.996 ( 0.987 -0.000 1.747) 2.006 8.030 ( 11.774 -0.000 0.451) 11.783 8.310 ( -0.354 0.000 -2.023) 2.053 8.489 ( -5.261 0.000 -3.692) 6.427 8.826 ( -11.958 0.000 2.696) 12.258 8.872 ( 6.278 -0.000 3.937) 7.411 9.182 ( -1.083 0.000 1.844) 2.138 9.374 ( -8.673 0.000 1.393) 8.784 9.824 ( 2.256 -0.000 1.715) 2.834 10.267 ( 6.216 -0.000 -15.019) 16.255 11.146 ( -15.302 0.000 13.893) 20.668 11.649 ( 10.749 -0.000 -9.450) 14.312 14.003 ( -1.517 0.000 1.194) 1.930 14.048 ( 0.560 -0.000 -1.333) 1.446 14.377 ( -6.267 0.000 0.199) 6.270 14.401 ( 5.613 -0.000 -1.565) 5.827 16.031 ( -2.914 0.000 4.497) 5.358 16.125 ( 0.555 -0.000 0.268) 0.616 16.830 ( -1.951 0.000 2.403) 3.095 17.050 ( 7.884 -0.000 -7.569) 10.929 17.936 ( -4.518 0.000 7.332) 8.612 18.154 ( 3.708 -0.000 -3.361) 5.005 21.661 ( -2.461 0.000 6.198) 6.669 21.721 ( -4.686 0.000 3.621) 5.922 22.931 ( 2.449 -0.000 -3.350) 4.150 23.022 ( 0.743 -0.000 -7.836) 7.871 23.085 ( -0.587 0.000 6.731) 6.757 23.351 ( 2.621 -0.000 -6.024) 6.570 23.743 ( -2.362 0.000 0.226) 2.373 23.745 ( 1.761 -0.000 0.087) 1.763 24.683 ( -15.490 0.000 6.312) 16.726 24.939 ( 8.164 -0.000 -3.903) 9.049 25.081 ( -0.387 0.000 1.777) 1.819 25.115 ( 0.818 -0.000 -1.425) 1.643 25.521 ( -0.059 0.000 1.190) 1.191 25.658 ( 6.970 -0.000 -5.112) 8.644 ======================= Grid point 156 (74/116) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -5.089 -0.333 -4.828) 7.022 1.090 ( 6.251 -2.902 5.062) 8.551 1.199 ( -2.790 0.387 -0.576) 2.875 1.222 ( -2.315 -1.913 -2.679) 4.025 1.325 ( 0.051 -2.076 3.321) 3.917 1.425 ( 3.698 -0.528 -1.418) 3.995 1.520 ( 2.537 2.071 2.674) 4.228 1.552 ( 2.145 -0.433 2.419) 3.262 1.578 ( -2.567 -0.713 0.777) 2.775 1.620 ( -1.301 -1.614 -1.180) 2.386 1.649 ( -3.973 0.476 -0.684) 4.060 1.682 ( -3.933 -2.480 -1.578) 4.910 1.772 ( 0.995 -0.220 0.666) 1.217 1.880 ( 5.978 0.779 0.779) 6.079 1.931 ( 6.979 0.091 -2.411) 7.384 1.959 ( 2.907 1.839 -2.764) 4.413 2.071 ( -0.409 -0.540 1.753) 1.879 2.091 ( 2.265 -2.689 2.518) 4.324 2.507 ( 0.884 0.790 4.406) 4.563 2.590 ( 1.163 4.303 -0.941) 4.556 2.667 ( 0.387 -3.377 -0.285) 3.411 2.693 ( -10.046 0.026 14.248) 17.434 2.762 ( 2.411 -0.594 1.151) 2.737 2.888 ( 1.542 -0.702 -3.774) 4.136 2.996 ( -4.624 1.771 4.193) 6.488 3.050 ( 0.015 -0.449 -1.662) 1.722 3.791 ( 6.353 0.851 -9.911) 11.803 3.931 ( 4.682 -0.158 -4.171) 6.273 4.434 ( 2.020 0.463 -5.647) 6.016 4.777 ( 7.191 1.409 -12.669) 14.636 4.879 ( -11.561 1.045 21.451) 24.390 5.037 ( 0.172 -0.357 2.797) 2.825 5.288 ( 1.288 0.050 -3.282) 3.526 5.420 ( -1.420 0.858 -3.929) 4.265 5.925 ( -3.562 -1.155 5.666) 6.791 6.056 ( -7.755 1.300 6.358) 10.112 6.164 ( 3.173 -1.889 -3.913) 5.380 6.466 ( 4.998 -0.808 -2.009) 5.447 6.686 ( -2.602 -0.181 2.085) 3.339 6.759 ( -1.701 -0.406 -11.006) 11.144 7.623 ( -4.163 1.380 4.165) 6.048 7.914 ( 5.728 -0.913 -6.844) 8.971 8.028 ( -0.950 -1.844 1.185) 2.389 8.087 ( 0.536 -0.229 -6.801) 6.826 8.343 ( -3.121 1.858 -5.589) 6.666 8.426 ( 11.239 1.054 8.185) 13.944 8.698 ( -8.141 0.905 1.887) 8.405 9.075 ( 11.927 1.051 4.173) 12.679 9.193 ( -2.101 0.199 4.830) 5.271 9.290 ( -4.895 -0.581 2.108) 5.362 9.865 ( -0.824 -0.044 3.482) 3.578 10.198 ( 6.200 -1.258 -14.310) 15.646 11.068 ( -16.761 0.082 15.285) 22.684 11.687 ( 8.747 -0.065 -10.022) 13.303 13.994 ( -1.351 0.302 1.381) 1.955 14.049 ( 1.219 0.102 -0.790) 1.456 14.294 ( -5.625 -1.348 0.551) 5.811 14.489 ( 6.279 -1.637 -0.834) 6.542 16.037 ( -2.786 -0.002 4.022) 4.893 16.138 ( 0.621 -0.669 -0.058) 0.915 16.830 ( -1.999 -0.402 2.463) 3.197 17.068 ( 6.899 -0.771 -9.377) 11.667 17.934 ( -4.821 1.697 5.996) 7.879 18.166 ( 3.724 1.527 -3.133) 5.101 21.693 ( -2.108 1.441 5.510) 6.073 21.729 ( -0.812 -1.714 4.630) 5.003 22.936 ( 0.577 0.721 -3.625) 3.740 22.947 ( 1.495 -0.654 -4.566) 4.848 23.150 ( -0.212 -0.563 5.371) 5.404 23.313 ( 1.911 -0.137 -6.717) 6.985 23.707 ( -2.511 0.329 0.347) 2.556 23.772 ( 1.469 0.161 0.236) 1.497 24.542 ( -13.632 1.634 9.498) 16.695 25.000 ( 5.316 3.629 -2.398) 6.869 25.094 ( -1.120 -1.462 1.383) 2.303 25.124 ( 1.724 -4.016 -2.427) 4.999 25.533 ( 0.981 1.555 0.788) 2.000 25.668 ( 3.574 -0.834 -6.937) 7.848 ======================= Grid point 157 (75/116) ======================= q-point: (-0.71 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -3.527 -0.480 0.886) 3.669 1.137 ( -5.932 -2.136 -0.091) 6.305 1.158 ( -2.488 -1.307 -0.291) 2.825 1.244 ( 5.044 -0.349 1.702) 5.334 1.382 ( 0.307 -4.880 1.950) 5.264 1.432 ( 0.897 -0.455 -1.998) 2.237 1.528 ( -2.790 2.037 -0.390) 3.476 1.560 ( 1.676 -1.298 0.737) 2.244 1.585 ( -0.642 -2.342 -1.054) 2.647 1.630 ( -1.523 -0.196 2.618) 3.035 1.668 ( 0.821 -0.199 4.440) 4.519 1.693 ( 2.837 -3.711 1.928) 5.054 1.809 ( 0.524 -0.857 3.028) 3.191 1.934 ( 1.203 3.764 -1.278) 4.153 1.958 ( 3.551 1.599 -0.459) 3.922 2.029 ( 4.841 -1.030 0.155) 4.952 2.075 ( 0.786 -1.504 0.180) 1.706 2.192 ( 1.857 -0.683 1.784) 2.664 2.534 ( -2.369 2.993 0.272) 3.827 2.593 ( 5.156 0.809 -0.742) 5.272 2.696 ( -2.334 -1.732 5.679) 6.379 2.715 ( -4.408 0.237 9.365) 10.354 2.838 ( 6.078 -0.077 -0.942) 6.151 2.895 ( 0.304 -1.962 1.988) 2.809 2.949 ( -4.697 1.202 3.129) 5.771 3.056 ( 4.717 0.948 -2.204) 5.292 3.748 ( 4.571 0.941 -10.339) 11.343 3.938 ( 3.152 -0.138 -5.313) 6.179 4.391 ( 1.860 0.275 -6.236) 6.513 4.697 ( 3.859 1.264 -13.456) 14.056 4.911 ( -13.632 2.638 20.630) 24.867 5.088 ( 1.091 -1.557 2.555) 3.184 5.287 ( 4.434 0.143 -4.384) 6.237 5.356 ( -0.097 0.513 -3.882) 3.917 5.935 ( -3.318 2.042 3.145) 5.007 6.002 ( -8.162 -1.854 6.894) 10.844 6.187 ( 3.559 -2.342 -4.133) 5.936 6.522 ( 4.910 -0.983 -4.356) 6.636 6.557 ( -5.579 0.504 -8.729) 10.372 6.660 ( -6.405 -1.090 1.389) 6.644 7.609 ( -1.317 2.260 3.778) 4.595 7.936 ( 6.290 -0.939 -9.039) 11.053 7.991 ( -2.969 -1.606 -3.482) 4.850 8.030 ( -1.732 -2.235 -1.107) 3.036 8.272 ( 0.469 2.691 -1.125) 2.954 8.576 ( -0.215 3.889 -2.642) 4.706 8.723 ( 8.389 -0.280 10.411) 13.374 9.175 ( 2.074 0.620 -2.682) 3.447 9.254 ( 0.960 1.279 7.625) 7.791 9.341 ( 1.755 -0.867 9.124) 9.332 9.876 ( -4.171 -0.154 5.027) 6.534 10.169 ( 9.130 -2.161 -13.112) 16.123 10.989 ( -17.151 -0.731 15.407) 23.066 11.683 ( 6.479 0.233 -10.912) 12.693 13.989 ( -0.958 0.788 1.727) 2.127 14.061 ( 1.395 -0.061 -0.733) 1.577 14.258 ( -3.999 -3.708 2.254) 5.901 14.575 ( 6.215 0.970 -1.612) 6.493 16.037 ( -2.927 -0.038 3.592) 4.634 16.152 ( 0.713 -1.008 -0.700) 1.420 16.833 ( -1.364 -0.120 2.358) 2.727 17.066 ( 5.354 -2.572 -9.406) 11.125 17.901 ( -4.371 3.546 4.876) 7.447 18.174 ( 3.909 0.948 -3.759) 5.506 21.698 ( -2.302 2.707 4.497) 5.731 21.814 ( 1.810 -3.878 4.243) 6.027 22.875 ( -0.853 -0.023 -2.843) 2.969 22.961 ( 0.901 0.141 0.339) 0.973 23.195 ( 0.007 0.686 1.574) 1.717 23.274 ( 2.085 -1.958 -5.580) 6.270 23.677 ( -2.090 -0.084 0.879) 2.269 23.786 ( 0.700 0.642 -0.047) 0.951 24.468 ( -11.113 -0.021 11.375) 15.903 24.976 ( 0.786 5.166 -2.483) 5.786 25.086 ( -1.617 -1.814 -0.911) 2.595 25.178 ( 2.144 -4.093 -1.609) 4.893 25.536 ( 1.801 3.712 -0.467) 4.152 25.652 ( 3.407 -1.826 -5.941) 7.088 ======================= Grid point 158 (76/116) ======================= q-point: (-0.57 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -3.778 1.911 3.148) 5.276 1.093 ( -4.007 -3.065 3.452) 6.113 1.166 ( -3.247 -1.304 5.736) 6.719 1.285 ( -0.120 3.587 2.343) 4.286 1.427 ( 1.182 -2.724 -1.795) 3.469 1.467 ( 1.723 -2.647 0.473) 3.193 1.487 ( -1.672 -0.696 1.611) 2.424 1.593 ( -2.697 -0.749 0.289) 2.814 1.623 ( 2.090 -1.386 1.784) 3.077 1.632 ( 1.550 -2.865 1.850) 3.746 1.691 ( -0.686 1.265 0.888) 1.691 1.792 ( 1.030 -0.570 1.915) 2.248 1.870 ( 1.269 -0.042 4.189) 4.378 1.892 ( -1.700 1.328 -1.713) 2.755 1.947 ( -1.780 1.926 1.891) 3.233 2.085 ( 1.267 -0.780 0.600) 1.604 2.132 ( 3.201 -1.080 1.244) 3.600 2.189 ( -1.846 1.410 1.054) 2.551 2.449 ( -2.684 1.167 -4.744) 5.574 2.605 ( -1.463 -1.090 -1.088) 2.125 2.723 ( -9.553 0.157 13.310) 16.384 2.788 ( 5.086 1.786 -2.571) 5.973 2.862 ( 0.895 0.248 2.373) 2.548 2.920 ( -2.069 1.702 4.448) 5.192 3.006 ( 3.859 -3.272 1.975) 5.431 3.141 ( 9.534 2.034 -1.143) 9.815 3.699 ( 4.113 -0.721 -9.014) 9.934 3.910 ( 2.201 0.264 -6.449) 6.819 4.357 ( 3.122 -0.879 -6.362) 7.141 4.595 ( 3.552 0.035 -12.791) 13.275 4.897 ( -14.249 2.827 18.530) 23.545 5.139 ( -0.833 -2.632 2.423) 3.673 5.293 ( 2.984 0.908 -4.152) 5.193 5.348 ( 6.415 0.111 -5.130) 8.215 5.843 ( -7.454 3.891 2.757) 8.849 6.010 ( -4.339 -2.726 5.565) 7.565 6.216 ( 5.044 -1.485 -5.107) 7.330 6.361 ( -1.607 -1.263 -13.137) 13.295 6.566 ( 0.579 -0.734 0.800) 1.230 6.599 ( -3.218 0.020 0.775) 3.310 7.630 ( 0.142 1.480 4.014) 4.280 7.883 ( -0.851 1.428 -3.691) 4.049 7.963 ( 1.626 -2.893 -5.374) 6.316 8.037 ( 1.024 -2.353 -1.035) 2.767 8.250 ( -0.056 2.064 -0.501) 2.125 8.508 ( 1.066 3.648 -3.865) 5.420 8.943 ( 5.793 -0.265 7.652) 9.602 9.165 ( 0.491 1.636 0.012) 1.709 9.364 ( 0.581 -0.009 7.721) 7.743 9.441 ( 0.401 -0.817 5.802) 5.873 9.857 ( -8.395 -1.399 7.070) 11.064 10.221 ( 13.511 -1.150 -10.949) 17.429 10.923 ( -16.145 -1.625 16.651) 23.250 11.637 ( 5.234 0.552 -12.074) 13.171 13.992 ( -0.504 0.816 1.976) 2.196 14.070 ( 0.997 -0.189 -1.126) 1.516 14.284 ( -2.336 -4.780 4.186) 6.769 14.608 ( 5.800 5.520 -3.910) 8.911 16.032 ( -3.141 -0.059 3.604) 4.781 16.159 ( 0.798 -0.833 -1.412) 1.823 16.843 ( -0.575 0.772 2.326) 2.517 17.066 ( 4.161 -4.778 -8.789) 10.834 17.865 ( -3.218 3.832 4.644) 6.827 18.176 ( 3.117 -0.249 -5.148) 6.023 21.681 ( -3.324 2.844 4.303) 6.136 21.923 ( 2.716 -5.833 0.739) 6.477 22.862 ( -0.516 -0.220 2.281) 2.349 22.979 ( -0.371 0.306 3.141) 3.177 23.159 ( -0.330 1.164 -4.445) 4.606 23.294 ( 2.773 -2.354 -2.397) 4.356 23.671 ( -1.207 -0.922 1.769) 2.332 23.777 ( -0.262 1.165 -0.818) 1.447 24.463 ( -9.085 -2.723 12.647) 15.808 24.905 ( 0.588 4.385 -3.977) 5.949 25.062 ( -1.796 -1.366 -1.052) 2.489 25.197 ( 0.529 -1.376 -2.411) 2.826 25.513 ( -0.294 2.068 -0.816) 2.243 25.672 ( 6.014 1.026 -4.734) 7.722 ======================= Grid point 159 (77/116) ======================= q-point: (-0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -4.401 2.879 4.333) 6.814 1.103 ( -3.993 -0.155 0.301) 4.007 1.192 ( -5.427 1.728 12.272) 13.529 1.264 ( -0.005 2.495 0.996) 2.687 1.433 ( -0.926 2.248 4.053) 4.726 1.488 ( -0.862 -1.255 -0.630) 1.648 1.495 ( -3.327 -1.001 -0.393) 3.497 1.578 ( 0.218 -2.052 2.045) 2.905 1.625 ( -4.071 2.531 0.705) 4.845 1.659 ( -2.177 2.358 1.979) 3.771 1.735 ( 3.181 -1.903 2.450) 4.443 1.802 ( -0.439 -2.373 2.149) 3.232 1.852 ( 0.720 -3.027 -3.313) 4.545 1.917 ( -1.519 2.061 1.632) 3.036 1.948 ( -1.789 0.378 5.949) 6.223 2.096 ( 0.199 1.585 -0.262) 1.619 2.115 ( -1.681 2.947 -1.398) 3.669 2.237 ( 2.817 -3.708 -1.183) 4.805 2.364 ( -2.689 -1.727 -0.173) 3.201 2.566 ( 0.032 0.562 -3.974) 4.014 2.706 ( -8.782 -0.309 9.073) 12.630 2.783 ( -2.424 0.216 3.668) 4.402 2.912 ( -3.179 2.255 3.760) 5.416 2.940 ( 4.200 -0.038 -0.199) 4.205 3.053 ( -2.530 -1.760 0.199) 3.088 3.195 ( 2.234 3.940 -2.521) 5.184 3.692 ( 4.448 -3.470 -7.375) 9.285 3.866 ( 2.858 0.595 -7.099) 7.676 4.360 ( 4.879 -1.600 -5.827) 7.766 4.541 ( 6.481 -1.005 -9.996) 11.956 4.856 ( -13.779 2.491 15.586) 20.952 5.142 ( -5.353 -2.398 2.514) 6.382 5.312 ( 6.298 0.226 -3.024) 6.990 5.375 ( 5.405 1.690 -6.167) 8.372 5.792 ( -1.035 2.712 6.680) 7.283 6.024 ( -3.585 -1.752 4.017) 5.662 6.212 ( 2.091 1.624 -6.408) 6.933 6.295 ( 8.783 -4.625 -11.203) 14.968 6.575 ( 0.697 1.435 -0.237) 1.612 6.590 ( 0.084 -0.445 1.835) 1.890 7.665 ( -0.855 0.895 4.370) 4.542 7.837 ( -0.458 1.449 -0.662) 1.658 7.952 ( 2.203 -2.806 -6.195) 7.149 8.055 ( 0.561 -1.081 -0.824) 1.470 8.238 ( 0.384 -0.092 0.427) 0.581 8.461 ( 2.390 3.352 -3.969) 5.718 9.064 ( 1.281 -0.646 4.122) 4.364 9.163 ( 0.894 1.665 -0.338) 1.920 9.328 ( -11.389 0.185 4.055) 12.091 9.579 ( 8.178 -0.961 1.819) 8.433 9.800 ( -14.387 -3.912 8.483) 17.154 10.314 ( 13.667 0.600 -10.536) 17.267 10.941 ( -11.635 -4.136 20.689) 24.094 11.577 ( 6.384 0.495 -12.530) 14.072 14.003 ( -0.413 0.593 1.992) 2.119 14.068 ( 0.484 -0.399 -1.549) 1.671 14.352 ( -0.241 -3.432 4.835) 5.934 14.569 ( 4.958 9.422 -6.036) 12.239 16.026 ( -3.307 0.015 3.991) 5.183 16.156 ( 0.671 -0.208 -1.976) 2.097 16.850 ( -0.464 1.900 2.110) 2.877 17.064 ( 2.616 -5.213 -8.891) 10.633 17.849 ( -3.012 2.366 5.572) 6.761 18.154 ( 1.664 -1.064 -5.824) 6.150 21.654 ( -4.246 2.039 4.937) 6.824 21.974 ( -0.308 -5.840 -4.802) 7.567 22.903 ( -0.084 0.740 5.352) 5.404 23.028 ( 0.402 -0.980 4.411) 4.537 23.091 ( 0.012 0.938 -4.948) 5.036 23.322 ( 3.091 -1.855 -3.448) 4.988 23.698 ( -0.125 -1.889 2.720) 3.314 23.747 ( -0.461 1.196 -1.463) 1.945 24.537 ( -6.190 -7.826 14.141) 17.307 24.849 ( 3.078 2.861 -5.088) 6.599 25.034 ( -1.981 -0.518 -0.219) 2.059 25.182 ( 1.248 0.861 -2.091) 2.583 25.483 ( -2.513 -0.686 0.499) 2.652 25.678 ( 5.991 6.981 -5.325) 10.629 ======================= Grid point 160 (78/116) ======================= q-point: (-0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -3.075 3.335 7.944) 9.148 0.962 ( -12.069 5.742 5.501) 14.453 1.231 ( -0.491 0.750 2.871) 3.008 1.297 ( 1.981 1.624 4.243) 4.956 1.423 ( -3.580 0.262 -2.019) 4.119 1.460 ( -1.050 -0.039 3.900) 4.039 1.471 ( -1.218 -0.361 -1.450) 1.928 1.553 ( -6.405 3.939 4.637) 8.834 1.588 ( -2.191 2.112 0.316) 3.059 1.655 ( -0.428 -1.546 5.766) 5.985 1.771 ( -0.254 3.351 2.815) 4.384 1.831 ( 2.673 -2.556 -7.285) 8.170 1.864 ( -2.263 -3.231 -0.559) 3.984 1.891 ( -3.077 -2.230 2.499) 4.548 1.977 ( -1.634 0.902 3.172) 3.680 2.022 ( -2.006 2.175 -4.768) 5.612 2.063 ( -1.766 2.683 -0.114) 3.214 2.257 ( -0.382 -3.174 -2.008) 3.775 2.421 ( 0.781 -3.028 5.537) 6.359 2.522 ( 1.610 0.265 -5.079) 5.335 2.700 ( -5.677 -2.352 6.796) 9.162 2.793 ( -2.584 -0.222 3.318) 4.211 2.840 ( -10.116 0.809 4.828) 11.238 2.910 ( -4.701 2.444 -3.994) 6.635 3.007 ( -1.909 0.871 -0.564) 2.172 3.147 ( -0.042 1.837 -0.646) 1.948 3.709 ( 5.000 -2.803 -6.655) 8.783 3.839 ( 4.784 0.533 -6.641) 8.202 4.393 ( 6.015 -1.042 -5.162) 7.994 4.589 ( 10.384 -2.266 -7.072) 12.766 4.803 ( -12.418 2.096 14.079) 18.889 5.092 ( -5.959 -1.357 1.706) 6.345 5.357 ( 2.841 1.501 -4.492) 5.524 5.394 ( 6.608 -0.676 -1.193) 6.749 5.887 ( 1.701 1.868 9.052) 9.398 6.026 ( -3.158 -1.303 3.980) 5.245 6.173 ( 3.162 1.048 -5.421) 6.363 6.360 ( 9.636 -2.294 -9.205) 13.522 6.566 ( 1.529 2.836 -0.207) 3.228 6.664 ( 7.282 -0.943 0.782) 7.384 7.680 ( -2.819 0.589 4.373) 5.236 7.827 ( 1.573 1.404 -0.262) 2.124 7.939 ( 2.127 -3.484 -6.355) 7.553 8.043 ( -0.269 1.572 -1.587) 2.250 8.292 ( 2.399 -3.222 2.789) 4.890 8.435 ( 2.308 2.949 -2.025) 4.257 9.075 ( -4.115 -0.517 -1.280) 4.340 9.112 ( -4.309 1.418 -4.644) 6.492 9.205 ( -9.281 -0.439 6.598) 11.396 9.673 ( -17.655 -2.304 8.140) 19.577 9.695 ( 6.831 -1.423 -3.292) 7.715 10.361 ( 10.766 1.052 -12.863) 16.807 11.088 ( -7.359 -6.893 19.212) 21.698 11.556 ( 9.327 0.479 -11.200) 14.583 14.011 ( -0.821 0.368 1.686) 1.911 14.061 ( 0.321 -0.918 -1.607) 1.878 14.416 ( 2.661 2.490 0.080) 3.645 14.484 ( 1.128 6.876 -2.641) 7.451 16.023 ( -3.332 0.033 4.437) 5.549 16.138 ( 0.125 0.610 -1.767) 1.874 16.845 ( -0.869 2.080 1.867) 2.927 17.029 ( 1.604 -2.401 -7.677) 8.202 17.865 ( -3.392 -0.172 7.475) 8.210 18.128 ( 1.791 -1.712 -4.873) 5.467 21.636 ( -4.327 1.033 5.802) 7.311 21.904 ( -5.871 -3.079 -4.789) 8.178 22.956 ( -0.503 1.192 6.302) 6.433 23.007 ( -0.112 0.620 -5.064) 5.104 23.100 ( 2.323 -0.647 -1.524) 2.853 23.348 ( 3.684 -1.822 -3.829) 5.617 23.721 ( 0.498 0.717 -1.193) 1.478 23.747 ( -0.163 -2.099 2.251) 3.082 24.719 ( -3.986 -15.606 11.372) 19.717 24.839 ( 5.755 1.372 -5.506) 8.082 25.015 ( -0.849 0.492 1.165) 1.523 25.178 ( 2.109 2.692 -1.112) 3.596 25.469 ( -2.499 -1.492 2.761) 4.012 25.617 ( 4.941 11.509 -4.831) 13.424 ======================= Grid point 161 (79/116) ======================= q-point: (-0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -1.223 4.001 10.059) 10.894 0.889 ( -3.495 1.465 11.551) 12.156 1.238 ( -0.349 0.232 0.103) 0.431 1.334 ( -1.851 1.564 0.056) 2.424 1.378 ( 1.641 0.266 0.400) 1.710 1.392 ( -4.475 2.105 -1.853) 5.281 1.432 ( -3.490 0.100 -1.200) 3.691 1.515 ( -1.282 0.558 2.454) 2.824 1.596 ( 1.970 -0.487 0.890) 2.216 1.678 ( -0.757 1.711 -1.635) 2.485 1.781 ( 0.353 -2.682 -4.411) 5.174 1.806 ( -3.153 0.678 -1.833) 3.710 1.823 ( -2.508 0.977 8.579) 8.991 1.869 ( -2.838 -0.631 -1.636) 3.336 1.927 ( -1.530 -0.002 -0.599) 1.643 1.968 ( -5.098 0.254 0.514) 5.130 2.010 ( -0.913 1.222 -2.163) 2.647 2.212 ( -4.088 -0.436 -2.747) 4.944 2.494 ( 1.884 -0.715 -5.371) 5.736 2.517 ( 1.398 -2.402 3.969) 4.845 2.674 ( -8.846 -0.311 6.220) 10.819 2.727 ( -4.119 -0.362 0.206) 4.140 2.769 ( -3.904 1.827 0.654) 4.360 2.859 ( -0.146 0.443 4.601) 4.625 2.990 ( -1.971 0.043 3.367) 3.901 3.124 ( -1.421 0.295 -1.216) 1.894 3.746 ( 7.514 -1.016 -6.591) 10.047 3.853 ( 6.120 0.275 -5.097) 7.969 4.435 ( 5.835 -0.529 -4.803) 7.576 4.700 ( 10.883 -2.744 -6.664) 13.053 4.779 ( -10.109 1.658 14.844) 18.036 5.041 ( -4.410 -0.499 1.966) 4.854 5.338 ( 1.375 0.335 -3.376) 3.661 5.470 ( 4.034 -1.059 -1.639) 4.481 5.935 ( -4.220 1.667 5.998) 7.521 6.067 ( -2.843 -1.832 7.605) 8.323 6.158 ( 3.249 1.608 -4.198) 5.547 6.396 ( 5.629 -0.121 -5.963) 8.201 6.588 ( 4.268 1.850 0.254) 4.658 6.805 ( 10.442 -0.714 -3.489) 11.033 7.673 ( -4.445 0.036 4.599) 6.396 7.874 ( 6.725 0.728 0.492) 6.782 7.936 ( 2.006 -3.316 -4.969) 6.302 7.998 ( -0.060 3.290 -1.225) 3.511 8.351 ( 1.186 -1.914 -4.420) 4.961 8.477 ( 2.501 0.165 6.110) 6.603 8.908 ( -7.747 -0.000 -5.439) 9.466 8.983 ( -11.018 0.029 1.062) 11.069 9.183 ( -2.477 0.107 2.819) 3.754 9.509 ( -14.366 -1.793 3.930) 15.002 9.765 ( 5.109 0.472 -0.737) 5.184 10.335 ( 7.953 0.733 -14.893) 16.900 11.185 ( -11.009 -3.608 13.553) 17.830 11.591 ( 11.192 0.456 -9.797) 14.881 14.010 ( -1.295 0.074 1.400) 1.909 14.056 ( 0.301 -0.886 -1.663) 1.908 14.379 ( 4.517 6.192 -4.041) 8.664 14.452 ( -4.272 -0.007 1.639) 4.576 16.025 ( -3.187 0.017 4.664) 5.649 16.121 ( 0.186 0.682 -0.319) 0.776 16.835 ( -1.488 1.085 2.076) 2.775 17.016 ( 5.502 -0.326 -5.722) 7.944 17.907 ( -3.936 -0.918 8.247) 9.184 18.132 ( 3.317 -1.822 -4.022) 5.523 21.639 ( -3.639 0.345 6.250) 7.241 21.786 ( -7.387 -0.679 0.259) 7.422 22.950 ( 1.200 0.352 -4.752) 4.914 23.018 ( -0.532 0.632 6.870) 6.920 23.085 ( 1.697 -0.072 -6.295) 6.520 23.365 ( 3.393 -0.822 -4.982) 6.084 23.723 ( 1.412 0.219 -0.465) 1.503 23.765 ( -1.504 -0.987 0.779) 1.961 24.807 ( -12.004 -9.908 4.502) 16.203 24.873 ( 7.428 0.209 -5.223) 9.083 25.044 ( 1.047 -1.833 2.096) 2.975 25.147 ( 0.417 5.414 -1.402) 5.608 25.504 ( 0.303 -1.102 1.905) 2.222 25.589 ( 7.876 5.745 -1.764) 9.907 ======================= Grid point 163 (80/116) ======================= q-point: ( 0.14 0.14 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -0.901 0.000 0.461) 1.012 1.125 ( -7.714 0.000 1.248) 7.814 1.137 ( -0.377 0.000 -4.133) 4.150 1.239 ( 7.089 -0.000 3.491) 7.902 1.336 ( -0.222 0.000 1.456) 1.473 1.434 ( -1.030 0.000 -1.418) 1.753 1.542 ( -0.237 0.000 -0.241) 0.338 1.545 ( -0.298 0.000 -1.089) 1.129 1.594 ( 0.978 -0.000 -0.474) 1.087 1.608 ( -0.672 0.000 2.602) 2.687 1.649 ( -0.671 0.000 0.180) 0.695 1.671 ( 2.246 -0.000 8.702) 8.987 1.802 ( 0.976 -0.000 2.295) 2.494 1.961 ( 1.719 -0.000 -0.594) 1.818 1.990 ( 3.014 -0.000 -0.872) 3.138 2.018 ( 3.814 -0.000 -0.152) 3.817 2.048 ( 1.436 -0.000 -0.808) 1.647 2.183 ( 2.878 -0.000 3.383) 4.441 2.575 ( -2.762 0.000 5.843) 6.463 2.593 ( 0.296 -0.000 -6.486) 6.492 2.676 ( 2.652 -0.000 5.372) 5.991 2.718 ( -5.113 0.000 11.191) 12.303 2.834 ( 6.393 -0.000 -0.001) 6.393 2.877 ( 0.967 -0.000 0.020) 0.967 2.961 ( -6.259 0.000 3.505) 7.174 3.064 ( 5.810 -0.000 -2.795) 6.447 3.757 ( 4.472 -0.000 -10.849) 11.735 3.937 ( 3.069 -0.000 -5.020) 5.883 4.393 ( 1.357 -0.000 -6.155) 6.303 4.708 ( 3.245 -0.000 -13.827) 14.203 4.936 ( -14.237 0.000 21.609) 25.877 5.073 ( 1.464 -0.000 1.305) 1.961 5.288 ( 4.667 -0.000 -4.217) 6.290 5.360 ( -0.918 0.000 -3.632) 3.746 5.942 ( -1.977 0.000 5.151) 5.517 6.002 ( -9.527 0.000 5.883) 11.197 6.159 ( 3.866 -0.000 -4.737) 6.115 6.514 ( 4.732 -0.000 -2.500) 5.352 6.567 ( -4.738 0.000 -12.230) 13.116 6.647 ( -5.907 0.000 2.476) 6.405 7.630 ( -2.068 0.000 3.963) 4.470 7.922 ( 7.117 -0.000 -8.572) 11.141 7.984 ( -3.409 0.000 -0.768) 3.494 8.006 ( -1.502 0.000 -3.940) 4.217 8.298 ( 0.331 -0.000 -1.403) 1.442 8.610 ( -1.472 0.000 -2.837) 3.196 8.722 ( 9.461 -0.000 10.321) 14.001 9.180 ( 3.512 -0.000 -3.074) 4.667 9.268 ( -2.362 0.000 5.811) 6.273 9.329 ( 2.266 -0.000 12.550) 12.753 9.878 ( -3.301 0.000 4.012) 5.195 10.150 ( 9.576 -0.000 -13.236) 16.337 10.982 ( -17.344 0.000 15.291) 23.122 11.685 ( 6.343 -0.000 -10.462) 12.234 13.998 ( -0.914 0.000 1.975) 2.176 14.061 ( 1.355 -0.000 -0.781) 1.563 14.223 ( -3.800 0.000 1.107) 3.958 14.583 ( 7.606 -0.000 -0.739) 7.642 16.037 ( -2.749 0.000 3.302) 4.296 16.142 ( 0.618 -0.000 -0.352) 0.712 16.833 ( -1.288 0.000 2.767) 3.052 17.044 ( 4.836 -0.000 -9.610) 10.759 17.934 ( -4.599 0.000 5.385) 7.082 18.181 ( 3.366 -0.000 -4.564) 5.671 21.750 ( 0.122 -0.000 2.896) 2.899 21.751 ( -1.254 0.000 5.908) 6.039 22.875 ( -0.704 0.000 -3.395) 3.467 22.962 ( 0.774 -0.000 0.884) 1.175 23.204 ( 0.803 -0.000 3.816) 3.900 23.254 ( 1.201 -0.000 -7.558) 7.653 23.677 ( -2.189 0.000 0.522) 2.251 23.792 ( 0.729 -0.000 0.184) 0.752 24.468 ( -11.839 0.000 10.616) 15.901 25.039 ( -3.058 0.000 0.971) 3.208 25.076 ( -1.652 0.000 0.289) 1.677 25.118 ( 6.378 -0.000 -4.698) 7.921 25.589 ( 5.590 -0.000 -0.948) 5.670 25.615 ( 0.312 -0.000 -6.308) 6.316 ======================= Grid point 164 (81/116) ======================= q-point: (-0.71 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -1.212 1.979 1.479) 2.752 1.075 ( -2.373 1.477 5.983) 6.604 1.131 ( -0.494 -2.997 3.307) 4.490 1.336 ( 2.803 1.908 1.270) 3.622 1.365 ( 2.840 -2.945 -2.216) 4.653 1.427 ( -1.435 -1.051 5.369) 5.656 1.512 ( -3.329 1.304 1.664) 3.943 1.548 ( 0.745 -2.542 -1.254) 2.930 1.621 ( 3.429 2.017 -0.189) 3.983 1.630 ( -0.455 0.763 1.408) 1.665 1.677 ( 2.472 -2.991 0.127) 3.882 1.791 ( 2.028 0.483 5.210) 5.612 1.863 ( 0.459 -0.346 5.634) 5.663 1.910 ( -3.034 0.710 -2.559) 4.032 1.999 ( -0.824 3.247 0.927) 3.476 2.046 ( 0.676 -2.219 -0.508) 2.375 2.095 ( 1.906 -2.725 0.708) 3.400 2.214 ( -2.142 1.046 1.811) 2.994 2.483 ( -2.581 1.940 -6.926) 7.641 2.582 ( -3.913 -1.313 4.047) 5.781 2.726 ( -9.284 0.159 14.294) 17.045 2.822 ( 5.624 2.059 -2.092) 6.344 2.855 ( -0.589 -1.085 0.640) 1.390 2.940 ( 0.678 0.364 1.427) 1.622 2.962 ( 2.806 -1.318 5.066) 5.939 3.162 ( 10.493 0.602 -2.231) 10.744 3.696 ( 3.646 0.087 -10.195) 10.827 3.914 ( 1.840 0.117 -5.352) 5.661 4.347 ( 2.268 -0.314 -6.535) 6.924 4.593 ( 2.545 -0.131 -13.075) 13.321 4.934 ( -15.449 1.375 19.185) 24.670 5.103 ( -0.093 -1.332 0.889) 1.604 5.314 ( 2.696 1.342 -3.820) 4.864 5.341 ( 6.709 -0.886 -4.492) 8.123 5.899 ( -8.864 2.094 3.714) 9.837 5.977 ( -2.731 -0.959 5.537) 6.248 6.177 ( 5.588 -2.037 -5.990) 8.442 6.361 ( -1.714 0.483 -13.343) 13.461 6.556 ( 1.549 -0.305 0.489) 1.653 6.595 ( -3.379 -0.245 1.491) 3.702 7.646 ( -0.965 0.409 3.342) 3.502 7.913 ( 0.513 1.649 -3.131) 3.576 7.931 ( 1.250 -0.550 -4.037) 4.261 7.989 ( 1.046 -2.819 -1.785) 3.496 8.287 ( -0.144 1.609 -0.506) 1.693 8.546 ( 0.209 1.023 -5.116) 5.221 8.940 ( 5.853 -0.095 6.914) 9.059 9.189 ( 1.512 0.941 -0.935) 2.011 9.359 ( 1.491 -0.457 9.846) 9.968 9.423 ( -5.058 -0.710 7.251) 8.869 9.852 ( -6.458 0.275 4.645) 7.959 10.206 ( 14.624 -0.530 -10.046) 17.750 10.904 ( -16.593 -0.604 16.389) 23.330 11.644 ( 4.587 0.272 -11.057) 11.974 14.007 ( -0.662 0.708 2.208) 2.411 14.068 ( 1.061 -0.066 -1.236) 1.631 14.217 ( -0.987 -2.511 2.575) 3.729 14.674 ( 8.314 2.080 -3.548) 9.276 16.031 ( -2.781 -0.041 3.174) 4.220 16.149 ( 0.732 -0.358 -0.685) 1.064 16.852 ( -0.518 0.302 3.287) 3.342 17.008 ( 3.280 -1.895 -8.606) 9.403 17.919 ( -4.163 2.067 5.303) 7.051 18.166 ( 2.671 -0.583 -6.553) 7.100 21.741 ( -2.150 4.318 3.439) 5.924 21.825 ( -0.625 -5.590 2.889) 6.323 22.859 ( -0.163 -0.080 2.122) 2.130 22.984 ( -0.734 0.148 3.139) 3.227 23.179 ( 0.816 0.944 -7.094) 7.203 23.259 ( 1.764 -1.473 0.610) 2.377 23.660 ( -1.378 -0.324 1.263) 1.897 23.793 ( -0.353 0.524 -0.374) 0.734 24.431 ( -10.171 -0.960 11.489) 15.375 24.973 ( -2.894 2.893 -1.246) 4.277 25.051 ( -1.432 -0.033 -0.199) 1.446 25.162 ( 3.286 -2.097 -3.264) 5.084 25.535 ( -1.939 0.666 -4.133) 4.613 25.685 ( 9.802 0.400 -3.519) 10.422 ======================= Grid point 165 (82/116) ======================= q-point: (-0.57 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -2.385 2.108 1.472) 3.507 1.107 ( 0.353 1.171 2.263) 2.573 1.224 ( -1.273 2.255 12.460) 12.727 1.322 ( -1.621 3.557 0.733) 3.977 1.455 ( 4.145 -2.767 1.064) 5.096 1.467 ( -2.825 -0.037 2.760) 3.949 1.486 ( -1.342 0.823 3.132) 3.506 1.558 ( 0.768 -0.266 -1.562) 1.761 1.630 ( -0.344 -2.645 1.700) 3.163 1.696 ( 3.005 0.623 1.369) 3.360 1.703 ( 1.098 1.909 1.347) 2.581 1.783 ( -4.698 -1.257 -2.378) 5.414 1.836 ( 0.056 1.524 0.207) 1.540 1.953 ( -1.689 1.890 1.697) 3.050 1.958 ( -1.102 0.595 5.632) 5.770 2.076 ( 0.292 -3.229 -0.304) 3.256 2.155 ( -2.002 -0.483 2.028) 2.890 2.169 ( 0.139 -1.921 -2.254) 2.964 2.356 ( -4.185 0.480 -2.479) 4.888 2.571 ( -1.082 0.090 -0.792) 1.344 2.717 ( -10.140 1.484 10.544) 14.704 2.784 ( -4.789 -0.598 4.323) 6.479 2.924 ( 4.704 -0.792 -2.543) 5.405 2.950 ( -3.323 1.808 3.682) 5.279 3.022 ( -0.575 -1.851 0.098) 1.941 3.245 ( 4.817 1.872 -4.127) 6.613 3.651 ( 4.174 -1.249 -8.514) 9.565 3.876 ( 1.775 0.567 -5.351) 5.666 4.335 ( 4.537 -1.252 -5.645) 7.350 4.525 ( 5.374 -0.836 -9.643) 11.071 4.890 ( -14.735 1.439 15.509) 21.441 5.102 ( -3.821 -2.059 1.508) 4.595 5.320 ( 5.431 0.539 -3.544) 6.508 5.397 ( 6.469 0.957 -5.427) 8.498 5.837 ( -3.206 2.344 7.661) 8.629 6.000 ( -2.518 -0.859 4.049) 4.845 6.218 ( 6.696 -2.829 -13.380) 15.227 6.243 ( 5.181 0.593 -4.492) 6.883 6.582 ( 1.051 -0.049 1.269) 1.649 6.591 ( 0.377 0.091 0.834) 0.919 7.669 ( -1.104 -0.357 3.406) 3.598 7.874 ( -2.193 2.953 2.603) 4.506 7.918 ( 4.668 -1.203 -8.683) 9.932 8.018 ( 0.199 -3.090 0.570) 3.148 8.257 ( -0.203 2.021 -0.642) 2.130 8.493 ( 1.851 0.435 -6.116) 6.405 9.056 ( 1.766 -0.265 3.881) 4.272 9.192 ( 1.336 1.486 -0.837) 2.166 9.332 ( -11.947 0.204 3.275) 12.389 9.519 ( -0.423 -4.450 7.658) 8.867 9.788 ( -7.842 1.326 5.000) 9.395 10.325 ( 13.972 0.594 -8.860) 16.555 10.888 ( -13.650 -2.106 20.134) 24.416 11.584 ( 5.318 0.360 -11.547) 12.718 14.015 ( -0.595 0.801 2.011) 2.245 14.065 ( 0.604 -0.106 -1.768) 1.871 14.288 ( 1.663 -3.587 3.969) 5.603 14.704 ( 8.313 5.924 -7.514) 12.675 16.027 ( -2.861 0.091 3.707) 4.684 16.153 ( 0.768 -0.129 -0.980) 1.252 16.878 ( -0.501 1.278 3.430) 3.694 16.986 ( 2.616 -3.591 -7.289) 8.537 17.895 ( -4.086 2.847 5.154) 7.167 18.127 ( 1.132 -1.972 -7.187) 7.538 21.700 ( -4.059 3.510 3.986) 6.685 21.869 ( -2.875 -6.303 -0.049) 6.928 22.915 ( 1.063 0.603 6.104) 6.225 23.014 ( -0.803 -0.576 4.409) 4.519 23.105 ( 0.975 0.738 -6.956) 7.062 23.291 ( 1.747 -1.642 -1.976) 3.107 23.672 ( -0.475 -1.088 2.298) 2.587 23.767 ( -0.855 1.016 -1.149) 1.756 24.440 ( -9.017 -3.717 12.599) 15.933 24.900 ( 0.337 2.787 -3.507) 4.492 25.032 ( -1.130 0.251 0.526) 1.271 25.181 ( 2.239 -0.752 -2.237) 3.253 25.464 ( -3.272 -1.153 -1.491) 3.776 25.773 ( 10.781 3.981 -6.036) 12.982 ======================= Grid point 166 (83/116) ======================= q-point: (-0.43 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -1.473 2.362 5.082) 5.794 1.075 ( -5.579 6.397 3.717) 9.266 1.257 ( -4.040 2.707 4.575) 6.676 1.333 ( 3.816 2.945 4.482) 6.583 1.422 ( -3.688 0.513 -0.397) 3.744 1.477 ( 0.619 1.012 -1.300) 1.760 1.489 ( -0.104 2.068 0.844) 2.236 1.593 ( -2.181 -0.931 1.791) 2.972 1.627 ( -3.691 2.842 6.809) 8.250 1.665 ( -1.900 2.728 1.442) 3.624 1.758 ( 1.305 -4.317 -4.590) 6.435 1.790 ( -1.618 -3.134 2.812) 4.510 1.822 ( 4.203 1.460 -0.578) 4.487 1.906 ( -5.012 2.715 3.127) 6.502 1.996 ( -0.983 0.847 3.337) 3.580 2.053 ( -1.487 1.029 -7.586) 7.798 2.093 ( -2.420 1.218 0.323) 2.728 2.185 ( -0.090 -5.091 -1.982) 5.464 2.364 ( -0.310 -3.395 5.572) 6.532 2.528 ( -0.349 0.457 -4.062) 4.103 2.680 ( -6.419 -0.295 6.900) 9.429 2.780 ( -6.650 -1.556 6.798) 9.636 2.859 ( -10.324 1.478 4.503) 11.360 2.916 ( -3.222 -0.519 -3.416) 4.724 3.020 ( 1.452 -0.211 -2.740) 3.108 3.193 ( -0.468 3.267 -3.861) 5.079 3.660 ( 6.230 -2.671 -6.837) 9.627 3.850 ( 3.831 0.719 -5.348) 6.618 4.370 ( 5.915 -1.471 -4.642) 7.662 4.553 ( 8.701 -1.802 -6.640) 11.092 4.830 ( -13.397 0.980 13.878) 19.314 5.065 ( -5.265 -1.759 1.690) 5.803 5.374 ( 5.043 -0.392 -4.073) 6.494 5.393 ( 3.889 1.390 -3.768) 5.591 5.927 ( 1.393 2.645 10.810) 11.215 6.008 ( -2.628 -0.791 3.213) 4.225 6.179 ( 3.836 -0.490 -6.923) 7.930 6.333 ( 11.671 -0.683 -7.342) 13.805 6.608 ( 2.154 1.831 0.204) 2.834 6.646 ( 5.929 -0.967 1.245) 6.135 7.685 ( -2.477 -0.178 3.306) 4.135 7.862 ( -1.105 2.661 4.141) 5.045 7.893 ( 5.138 -1.789 -10.452) 11.783 8.048 ( -0.502 -0.943 1.379) 1.745 8.261 ( 1.967 -0.367 0.886) 2.189 8.458 ( 1.958 -0.287 -4.970) 5.349 9.072 ( -4.119 0.162 -0.184) 4.126 9.130 ( -6.755 0.482 -5.351) 8.631 9.206 ( -6.383 0.686 5.657) 8.557 9.540 ( -12.881 -8.218 4.294) 15.871 9.757 ( 0.993 4.159 3.617) 5.600 10.384 ( 10.206 1.646 -11.371) 15.368 10.982 ( -10.288 -4.981 21.914) 24.716 11.560 ( 8.523 0.061 -10.428) 13.468 14.018 ( -0.957 0.529 1.549) 1.896 14.052 ( 0.387 -0.265 -1.890) 1.947 14.390 ( 1.781 -2.776 3.527) 4.829 14.654 ( 7.034 9.544 -10.109) 15.580 16.026 ( -3.050 0.305 4.295) 5.277 16.150 ( 0.508 0.669 -0.943) 1.263 16.885 ( -1.047 2.425 2.625) 3.724 16.982 ( 3.296 -2.768 -5.977) 7.365 17.872 ( -4.309 1.166 5.551) 7.124 18.086 ( 0.193 -3.221 -5.260) 6.171 21.662 ( -4.536 2.063 5.203) 7.205 21.839 ( -6.204 -4.395 -0.708) 7.636 22.983 ( -0.168 1.950 5.734) 6.059 23.022 ( 0.525 1.115 -3.960) 4.148 23.083 ( 2.271 -1.285 -1.151) 2.852 23.307 ( 2.213 -2.876 -3.069) 4.753 23.709 ( -0.386 -2.005 2.623) 3.324 23.737 ( -0.015 0.955 -1.117) 1.470 24.511 ( -8.339 -8.881 13.415) 18.121 24.866 ( 3.930 1.699 -4.916) 6.520 25.028 ( -0.245 1.109 1.767) 2.101 25.198 ( 1.814 0.243 -0.640) 1.939 25.437 ( -1.738 -2.112 1.409) 3.077 25.786 ( 8.370 7.804 -8.708) 14.380 ======================= Grid point 167 (84/116) ======================= q-point: (-0.29 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 2.414 2.314 8.393) 9.035 0.976 ( -6.121 9.017 9.366) 14.370 1.243 ( -1.133 -0.090 0.445) 1.221 1.354 ( -2.423 0.577 -2.672) 3.653 1.398 ( 1.748 2.020 2.544) 3.689 1.436 ( -0.590 2.791 -3.553) 4.557 1.463 ( -2.945 3.522 1.722) 4.903 1.554 ( -2.754 4.543 0.980) 5.402 1.589 ( 0.563 -0.643 0.692) 1.100 1.697 ( 0.306 -0.598 1.705) 1.832 1.736 ( -1.026 -2.104 -3.882) 4.534 1.789 ( -3.767 -2.753 1.836) 5.014 1.830 ( -3.719 0.839 -1.954) 4.283 1.893 ( 2.798 3.200 4.207) 5.981 1.935 ( -1.703 1.482 -3.848) 4.461 1.980 ( -3.847 0.762 0.120) 3.923 2.035 ( -2.730 1.702 -0.937) 3.351 2.192 ( -1.920 -2.301 -1.657) 3.424 2.454 ( 0.018 -3.715 2.530) 4.495 2.483 ( 0.517 -1.087 -2.126) 2.443 2.661 ( -4.998 -1.087 3.853) 6.404 2.722 ( -8.383 -0.226 4.489) 9.511 2.810 ( -1.914 2.733 1.069) 3.503 2.850 ( -2.895 -1.921 4.993) 6.083 3.001 ( -0.358 1.058 -1.088) 1.559 3.133 ( -2.202 0.785 -0.813) 2.475 3.716 ( 7.981 -2.283 -6.539) 10.567 3.861 ( 5.800 0.658 -4.758) 7.530 4.418 ( 5.684 -1.361 -4.834) 7.585 4.646 ( 9.215 -3.178 -5.355) 11.121 4.799 ( -10.612 0.443 14.068) 17.627 5.026 ( -4.088 -1.101 2.249) 4.794 5.349 ( 1.453 0.929 -4.458) 4.780 5.442 ( 3.584 -2.032 -2.522) 4.830 5.972 ( -4.144 1.775 4.965) 6.707 6.045 ( -1.257 0.314 6.720) 6.843 6.178 ( 2.557 0.363 -2.589) 3.657 6.403 ( 7.490 1.070 -5.587) 9.406 6.635 ( 4.139 3.179 0.215) 5.223 6.784 ( 9.509 -1.597 -2.041) 9.856 7.672 ( -4.417 -0.225 3.591) 5.697 7.887 ( 7.342 -2.263 -9.812) 12.462 7.899 ( 2.240 2.117 5.384) 6.204 8.044 ( -0.483 2.026 0.600) 2.168 8.311 ( 2.005 -2.135 -2.673) 3.966 8.464 ( 1.542 -2.064 0.726) 2.677 8.907 ( -8.580 -0.027 -4.279) 9.588 8.983 ( -11.307 -0.038 0.485) 11.318 9.190 ( -1.975 0.817 2.628) 3.388 9.444 ( -11.045 -5.625 2.161) 12.582 9.793 ( 2.376 2.811 2.515) 4.457 10.357 ( 7.573 1.847 -13.903) 15.939 11.100 ( -11.194 -5.323 18.190) 22.011 11.597 ( 10.724 0.169 -9.294) 14.192 14.012 ( -1.408 0.194 1.167) 1.839 14.042 ( 0.527 -0.577 -1.596) 1.777 14.433 ( -2.200 -0.749 1.404) 2.715 14.547 ( 4.748 10.447 -8.518) 14.291 16.027 ( -3.143 0.264 4.657) 5.624 16.140 ( 0.419 1.379 -0.261) 1.465 16.867 ( -1.800 2.537 1.975) 3.684 17.007 ( 6.565 -0.668 -5.291) 8.458 17.883 ( -4.099 -1.542 7.180) 8.410 18.078 ( 1.487 -4.328 -3.643) 5.849 21.650 ( -3.866 0.990 6.061) 7.257 21.766 ( -6.863 -1.699 1.658) 7.262 22.961 ( 1.187 1.037 -4.686) 4.944 23.035 ( -0.712 0.908 4.474) 4.621 23.087 ( 2.196 0.623 -4.113) 4.704 23.336 ( 3.100 -2.665 -3.816) 5.592 23.729 ( 0.741 0.308 -0.334) 0.870 23.738 ( -1.144 -1.763 1.349) 2.497 24.604 ( -10.557 -11.639 10.997) 19.179 24.876 ( 6.229 0.227 -5.509) 8.319 25.048 ( 0.899 1.533 2.905) 3.406 25.205 ( 0.489 1.765 -0.264) 1.851 25.477 ( 0.914 -1.983 2.508) 3.326 25.717 ( 5.996 7.899 -8.961) 13.366 ======================= Grid point 168 (85/116) ======================= q-point: (-0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 0.207 5.309 8.212) 9.781 1.053 ( 4.983 1.522 6.104) 8.025 1.199 ( -1.531 1.468 -2.532) 3.303 1.296 ( -1.391 0.501 -2.092) 2.562 1.328 ( -2.759 2.836 -0.643) 4.008 1.407 ( -0.814 3.347 1.726) 3.853 1.456 ( 2.400 -0.195 0.647) 2.493 1.525 ( 0.116 1.425 0.779) 1.628 1.612 ( -0.477 -0.773 -0.830) 1.230 1.668 ( -1.076 2.119 0.825) 2.515 1.697 ( -2.085 0.235 -4.543) 5.004 1.766 ( -1.616 -0.140 0.838) 1.826 1.797 ( 3.013 -1.801 -1.605) 3.859 1.836 ( -6.729 0.384 -3.513) 7.600 1.904 ( 0.773 0.457 -3.289) 3.409 1.953 ( 1.714 0.481 -1.786) 2.522 2.005 ( -0.280 2.879 6.100) 6.751 2.137 ( -2.612 1.071 -1.388) 3.146 2.463 ( -0.052 -1.716 0.659) 1.839 2.538 ( 0.717 -3.655 1.605) 4.056 2.658 ( -3.466 0.722 6.445) 7.353 2.694 ( -1.766 -1.297 2.424) 3.268 2.766 ( -3.391 3.638 2.977) 5.796 2.895 ( 1.497 -0.367 -0.060) 1.543 2.989 ( -3.159 -1.472 3.805) 5.160 3.087 ( -2.342 0.451 -0.521) 2.441 3.773 ( 7.889 -1.651 -8.007) 11.362 3.898 ( 5.980 0.423 -4.047) 7.233 4.445 ( 3.904 -1.137 -5.321) 6.697 4.743 ( 7.945 -3.413 -5.821) 10.423 4.818 ( -8.672 -0.066 14.969) 17.300 5.017 ( -2.040 -0.299 3.182) 3.791 5.314 ( 0.556 0.139 -3.590) 3.636 5.458 ( 0.522 -2.167 -3.424) 4.086 5.942 ( -4.705 1.880 4.920) 7.062 6.072 ( -4.626 -0.771 5.887) 7.526 6.177 ( 1.795 1.654 -2.059) 3.193 6.430 ( 5.166 1.518 -3.466) 6.404 6.675 ( 2.391 2.443 1.641) 3.791 6.848 ( 4.187 -0.775 -7.585) 8.698 7.642 ( -5.683 -1.055 4.028) 7.045 7.910 ( 5.265 -0.583 -6.083) 8.066 8.018 ( 4.944 1.509 0.054) 5.169 8.049 ( 6.483 2.528 2.938) 7.554 8.289 ( -0.362 -2.152 -2.536) 3.346 8.465 ( -5.024 -2.824 -4.210) 7.137 8.818 ( -12.180 -0.816 2.760) 12.515 8.867 ( 5.339 -0.634 3.369) 6.345 9.187 ( -1.077 0.483 1.754) 2.115 9.359 ( -6.919 -1.977 0.726) 7.233 9.832 ( 0.982 1.113 2.930) 3.285 10.283 ( 6.199 1.786 -14.603) 15.964 11.125 ( -14.665 -2.171 15.571) 21.499 11.652 ( 10.561 0.307 -9.443) 14.170 14.001 ( -1.634 -0.140 1.090) 1.969 14.042 ( 0.866 -0.522 -1.200) 1.569 14.382 ( -5.429 0.744 0.763) 5.533 14.467 ( 4.579 6.783 -4.148) 9.175 16.032 ( -3.012 0.093 4.589) 5.490 16.136 ( 0.645 1.244 0.120) 1.406 16.843 ( -2.167 1.453 2.174) 3.395 17.053 ( 8.305 0.463 -7.397) 11.131 17.916 ( -4.760 -2.218 7.071) 8.808 18.118 ( 3.589 -3.984 -2.911) 6.101 21.663 ( -3.043 0.180 6.183) 6.894 21.720 ( -3.976 -0.047 3.800) 5.500 22.935 ( 2.189 0.467 -3.394) 4.066 23.016 ( 0.543 -0.661 -6.787) 6.840 23.101 ( -0.125 1.825 5.420) 5.720 23.344 ( 2.779 -0.929 -5.514) 6.244 23.732 ( -2.153 -1.143 0.698) 2.535 23.746 ( 1.447 0.049 -0.061) 1.449 24.612 ( -13.537 -7.061 8.990) 17.718 24.924 ( 7.017 -1.634 -4.815) 8.665 25.084 ( 0.713 1.621 2.954) 3.444 25.172 ( 0.036 4.196 -1.531) 4.467 25.513 ( -0.533 -0.671 1.317) 1.571 25.679 ( 6.275 2.059 -7.133) 9.721 ======================= Grid point 171 (86/116) ======================= q-point: ( 0.29 -0.71 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -1.954 0.000 0.055) 1.955 1.123 ( 0.331 -0.000 1.486) 1.523 1.260 ( 1.760 -0.000 15.182) 15.284 1.361 ( -1.946 0.000 2.806) 3.415 1.392 ( 4.957 -0.000 -1.517) 5.184 1.481 ( -4.500 0.000 3.207) 5.525 1.495 ( 0.229 -0.000 4.211) 4.218 1.551 ( 3.524 -0.000 0.341) 3.541 1.604 ( -0.283 0.000 -1.851) 1.872 1.698 ( 2.791 -0.000 -1.224) 3.048 1.729 ( 5.054 -0.000 1.764) 5.353 1.775 ( -6.113 0.000 -4.715) 7.720 1.862 ( 0.756 -0.000 4.008) 4.078 1.965 ( 0.474 -0.000 5.131) 5.153 1.965 ( -6.070 0.000 1.771) 6.323 2.040 ( -0.569 0.000 -0.076) 0.574 2.114 ( 2.160 -0.000 0.487) 2.215 2.180 ( -4.392 0.000 0.708) 4.449 2.363 ( -4.508 0.000 -4.453) 6.336 2.571 ( -1.525 0.000 1.001) 1.824 2.741 ( -11.699 0.000 16.022) 19.839 2.766 ( -5.957 0.000 0.425) 5.972 2.920 ( 6.357 -0.000 -3.902) 7.459 2.967 ( -2.691 0.000 2.729) 3.833 3.003 ( -0.689 0.000 0.222) 0.724 3.259 ( 5.878 -0.000 -4.568) 7.445 3.643 ( 3.946 -0.000 -9.042) 9.865 3.881 ( 1.209 -0.000 -4.417) 4.580 4.324 ( 4.329 -0.000 -5.599) 7.077 4.517 ( 5.083 -0.000 -9.510) 10.783 4.902 ( -15.448 0.000 15.543) 21.914 5.084 ( -2.937 0.000 0.861) 3.061 5.325 ( 4.869 -0.000 -3.991) 6.296 5.405 ( 6.992 -0.000 -4.731) 8.442 5.858 ( -4.753 0.000 8.742) 9.950 5.995 ( -2.002 0.000 3.972) 4.448 6.188 ( 9.896 -0.000 -13.408) 16.665 6.253 ( 3.079 -0.000 -5.250) 6.086 6.582 ( 0.645 -0.000 1.813) 1.924 6.590 ( 0.972 -0.000 0.584) 1.134 7.664 ( -1.530 0.000 3.321) 3.657 7.909 ( 5.793 -0.000 -9.454) 11.088 7.914 ( -3.521 0.000 4.340) 5.589 7.977 ( 0.912 -0.000 0.274) 0.952 8.280 ( -0.603 0.000 -0.628) 0.870 8.491 ( 1.621 -0.000 -7.489) 7.663 9.054 ( 2.013 -0.000 3.855) 4.349 9.205 ( 1.643 -0.000 -1.414) 2.167 9.334 ( -12.294 0.000 2.790) 12.607 9.478 ( -3.599 0.000 10.001) 10.629 9.804 ( -5.284 0.000 3.775) 6.494 10.331 ( 14.166 -0.000 -8.085) 16.310 10.871 ( -14.239 0.000 20.006) 24.556 11.587 ( 4.805 -0.000 -11.138) 12.131 14.024 ( -0.925 0.000 2.131) 2.323 14.064 ( 0.691 -0.000 -1.850) 1.974 14.254 ( 2.903 -0.000 3.129) 4.269 14.754 ( 9.159 -0.000 -7.743) 11.993 16.028 ( -2.645 0.000 3.658) 4.514 16.152 ( 0.839 -0.000 -0.605) 1.035 16.889 ( -0.575 0.000 4.082) 4.123 16.955 ( 2.697 -0.000 -6.833) 7.346 17.925 ( -5.077 0.000 6.200) 8.013 18.105 ( 1.415 -0.000 -8.868) 8.980 21.764 ( -1.567 0.000 -0.556) 1.663 21.780 ( -6.217 0.000 5.919) 8.584 22.921 ( 1.726 -0.000 6.524) 6.749 23.010 ( -1.523 0.000 4.352) 4.611 23.112 ( 1.584 -0.000 -8.148) 8.301 23.276 ( 0.994 -0.000 -1.082) 1.469 23.663 ( -0.511 0.000 2.061) 2.123 23.776 ( -1.038 0.000 -0.973) 1.423 24.410 ( -9.573 0.000 11.995) 15.347 24.926 ( -1.493 0.000 -2.581) 2.981 25.037 ( -1.043 0.000 1.203) 1.592 25.171 ( 3.430 -0.000 -2.809) 4.434 25.454 ( -3.128 0.000 -2.634) 4.090 25.806 ( 11.885 -0.000 -6.076) 13.348 ======================= Grid point 173 (87/116) ======================= q-point: (-0.57 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -0.809 0.582 3.538) 3.675 1.138 ( -0.591 1.369 2.248) 2.698 1.312 ( -5.863 2.729 2.709) 7.011 1.395 ( 0.920 3.856 8.421) 9.307 1.453 ( -1.878 2.510 2.372) 3.931 1.480 ( 0.061 -2.139 1.516) 2.622 1.507 ( 2.091 0.808 -1.829) 2.893 1.570 ( -3.095 0.345 0.550) 3.162 1.620 ( -0.700 -3.812 -1.392) 4.118 1.683 ( 1.737 -2.081 -0.157) 2.715 1.713 ( 0.774 1.007 -0.831) 1.518 1.803 ( 0.082 2.832 2.339) 3.674 1.870 ( 0.234 4.043 2.123) 4.572 1.939 ( -2.883 0.034 4.950) 5.728 1.995 ( -0.934 0.128 0.828) 1.255 2.035 ( 0.172 -3.375 -2.141) 4.000 2.109 ( -1.389 0.270 -3.261) 3.554 2.123 ( -2.061 -1.036 -1.539) 2.773 2.319 ( -1.538 -1.658 4.856) 5.357 2.535 ( -1.271 0.266 -3.801) 4.017 2.683 ( -5.373 0.470 1.897) 5.718 2.747 ( -12.116 -1.731 14.404) 18.902 2.876 ( -12.673 0.240 5.063) 13.649 2.925 ( 1.060 1.386 -4.501) 4.828 3.000 ( 1.976 -1.487 -3.351) 4.164 3.235 ( 0.534 1.393 -6.059) 6.240 3.629 ( 6.369 -0.948 -7.215) 9.671 3.860 ( 2.883 0.369 -4.110) 5.034 4.351 ( 5.738 -0.709 -4.228) 7.162 4.532 ( 8.113 -0.665 -6.731) 10.563 4.838 ( -14.505 0.143 14.000) 20.159 5.042 ( -4.552 -0.798 1.542) 4.872 5.365 ( 5.612 -0.347 -3.935) 6.863 5.414 ( 2.565 0.751 -5.019) 5.686 5.962 ( 0.112 1.133 12.758) 12.809 6.003 ( -1.861 0.129 3.708) 4.151 6.164 ( 6.060 -0.830 -10.285) 11.966 6.332 ( 12.179 0.148 -5.547) 13.384 6.626 ( 3.326 0.577 0.390) 3.398 6.634 ( 4.167 -0.463 1.865) 4.589 7.677 ( -2.681 -0.443 3.945) 4.790 7.874 ( 6.348 -0.397 -12.341) 13.884 7.912 ( -1.827 2.390 4.851) 5.708 8.020 ( -0.276 -1.819 3.760) 4.186 8.272 ( 1.009 1.063 0.388) 1.516 8.437 ( 2.092 -1.398 -7.987) 8.374 9.078 ( -3.414 0.363 0.935) 3.558 9.129 ( -10.062 -0.334 -5.031) 11.254 9.220 ( -3.072 0.631 3.139) 4.437 9.441 ( -13.477 -3.136 6.571) 15.318 9.809 ( 0.741 1.737 3.396) 3.886 10.407 ( 9.951 0.856 -10.357) 14.388 10.929 ( -11.648 -1.536 23.007) 25.834 11.560 ( 7.873 -0.037 -10.048) 12.765 14.026 ( -1.350 0.297 1.614) 2.125 14.050 ( 0.529 -0.028 -2.105) 2.171 14.351 ( 3.689 -1.449 2.874) 4.896 14.763 ( 8.010 3.315 -11.171) 14.140 16.031 ( -2.877 0.225 4.303) 5.181 16.158 ( 0.873 0.273 -0.499) 1.042 16.916 ( -1.244 1.024 3.509) 3.861 16.948 ( 4.594 -1.176 -4.956) 6.859 17.900 ( -6.193 1.730 5.942) 8.755 18.032 ( 0.333 -2.543 -7.450) 7.879 21.705 ( -4.627 3.024 3.656) 6.628 21.767 ( -6.342 -3.985 3.164) 8.131 23.017 ( -0.253 1.958 4.551) 4.961 23.038 ( 1.322 0.373 0.620) 1.507 23.059 ( 2.668 -1.327 -3.455) 4.562 23.266 ( 0.434 -1.544 -2.852) 3.272 23.687 ( -0.402 -0.673 2.506) 2.626 23.749 ( -0.407 0.450 -1.037) 1.202 24.418 ( -9.531 -2.591 13.116) 16.419 24.888 ( 2.066 0.696 -4.301) 4.822 25.047 ( 0.030 0.887 2.630) 2.776 25.196 ( 2.442 -0.252 -0.924) 2.623 25.408 ( -1.029 -1.056 0.007) 1.474 25.870 ( 9.212 2.457 -9.677) 13.585 ======================= Grid point 174 (88/116) ======================= q-point: (-0.43 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 2.945 1.299 7.387) 8.058 1.120 ( -3.498 6.427 5.978) 9.448 1.237 ( -4.493 0.659 1.428) 4.761 1.378 ( -3.271 2.199 -1.217) 4.125 1.434 ( -0.422 2.034 0.345) 2.105 1.480 ( -0.465 1.465 0.068) 1.538 1.510 ( 0.692 2.108 -0.519) 2.278 1.556 ( -0.149 -2.935 0.931) 3.083 1.650 ( 0.447 2.320 0.168) 2.369 1.656 ( -0.790 -0.028 -1.387) 1.597 1.727 ( -1.644 0.262 -0.207) 1.678 1.761 ( -2.387 0.282 1.693) 2.940 1.841 ( -3.633 0.368 -0.712) 3.720 1.943 ( -1.597 -0.391 -6.622) 6.823 1.956 ( 0.711 2.849 -0.294) 2.951 2.006 ( 0.725 2.159 -0.596) 2.354 2.071 ( -2.738 2.904 3.055) 5.026 2.137 ( 0.463 -3.676 0.230) 3.712 2.397 ( 0.502 -3.015 4.046) 5.071 2.470 ( -1.349 -0.450 -2.175) 2.598 2.639 ( -2.752 -1.476 0.556) 3.172 2.720 ( -10.491 0.015 9.793) 14.351 2.803 ( -6.827 -2.521 8.320) 11.054 2.862 ( -0.717 2.969 -1.571) 3.434 3.002 ( 0.391 -1.207 -2.206) 2.545 3.152 ( -2.872 1.332 -2.431) 3.991 3.679 ( 8.310 -1.857 -6.579) 10.761 3.872 ( 5.277 0.599 -4.116) 6.719 4.394 ( 5.343 -1.282 -4.748) 7.263 4.603 ( 9.516 -1.910 -6.745) 11.819 4.797 ( -12.961 -0.460 15.476) 20.192 5.009 ( -3.677 -0.879 2.703) 4.648 5.367 ( 1.461 1.096 -5.068) 5.387 5.410 ( 3.238 -1.690 -3.645) 5.160 5.978 ( -4.222 -0.338 3.189) 5.302 6.084 ( -0.228 3.386 7.445) 8.182 6.170 ( 2.986 -1.238 -2.254) 3.941 6.425 ( 8.163 1.299 -4.522) 9.422 6.681 ( 5.237 2.161 -0.236) 5.670 6.758 ( 8.166 -1.448 -0.123) 8.294 7.666 ( -5.215 -0.422 3.737) 6.430 7.858 ( 9.558 -1.096 -11.694) 15.143 7.943 ( 1.226 2.694 5.926) 6.624 8.062 ( -0.360 0.143 3.180) 3.203 8.295 ( 2.195 0.501 -2.167) 3.125 8.411 ( 1.129 -3.975 -3.831) 5.635 8.908 ( -9.372 0.129 -3.528) 10.015 8.980 ( -11.901 -0.368 0.801) 11.933 9.206 ( -1.291 0.852 1.073) 1.883 9.353 ( -8.478 -4.381 2.574) 9.884 9.842 ( 0.516 2.610 3.760) 4.606 10.389 ( 7.097 1.678 -12.943) 14.857 11.031 ( -11.416 -2.755 21.492) 24.491 11.596 ( 10.369 -0.199 -8.786) 13.592 14.016 ( -1.753 0.160 1.107) 2.079 14.037 ( 0.744 -0.096 -1.801) 1.951 14.417 ( -0.368 -0.903 1.805) 2.051 14.693 ( 5.478 6.301 -11.621) 14.309 16.033 ( -3.236 0.371 4.710) 5.726 16.161 ( 0.844 1.017 -0.278) 1.351 16.909 ( -2.144 2.107 2.163) 3.703 16.997 ( 7.964 -0.472 -4.807) 9.314 17.867 ( -5.587 -0.162 6.143) 8.306 18.003 ( 0.597 -4.290 -3.983) 5.884 21.671 ( -4.378 1.526 5.644) 7.304 21.733 ( -5.965 -2.056 3.403) 7.168 22.983 ( 1.090 1.575 -4.596) 4.979 23.034 ( -0.141 -0.928 -1.788) 2.020 23.118 ( 2.603 2.859 1.864) 4.292 23.279 ( 1.904 -3.881 -1.830) 4.694 23.709 ( -1.361 -1.204 2.091) 2.770 23.738 ( 0.701 0.419 -0.645) 1.041 24.458 ( -10.237 -5.700 13.627) 17.972 24.879 ( 4.578 0.114 -5.547) 7.194 25.080 ( 0.915 1.842 3.803) 4.324 25.221 ( 1.149 0.355 0.327) 1.246 25.444 ( 2.396 -1.804 1.565) 3.383 25.820 ( 4.380 4.182 -11.741) 13.211 ======================= Grid point 175 (89/116) ======================= q-point: (-0.29 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 5.656 1.867 4.683) 7.577 1.089 ( -3.229 7.897 7.743) 11.522 1.200 ( 1.589 -1.573 -1.009) 2.453 1.318 ( -1.484 1.831 -1.138) 2.618 1.371 ( -3.191 1.388 -1.060) 3.638 1.464 ( -1.055 3.299 2.085) 4.043 1.490 ( 0.717 3.493 -1.457) 3.852 1.557 ( -0.808 2.514 -0.915) 2.794 1.596 ( 0.141 -0.919 -0.347) 0.993 1.674 ( -0.587 -1.677 -1.551) 2.359 1.710 ( -1.558 2.201 0.799) 2.812 1.750 ( 0.267 -1.664 1.205) 2.072 1.794 ( 0.981 0.842 -1.101) 1.698 1.851 ( -2.098 1.261 -5.480) 6.002 1.902 ( -0.683 -0.347 -3.620) 3.700 1.961 ( -1.101 0.390 -4.175) 4.336 2.082 ( 0.892 5.721 6.015) 8.349 2.147 ( -1.464 -0.277 0.162) 1.499 2.428 ( 0.008 -1.667 1.424) 2.192 2.493 ( 0.766 -1.823 1.335) 2.386 2.660 ( 1.818 -1.428 1.643) 2.837 2.681 ( -6.143 0.720 7.377) 9.627 2.819 ( -3.123 2.442 1.770) 4.342 2.863 ( -1.423 -3.279 6.110) 7.079 2.980 ( -1.510 0.157 -0.506) 1.601 3.088 ( -3.647 -0.142 0.471) 3.680 3.739 ( 7.701 -2.165 -7.697) 11.101 3.907 ( 5.941 0.641 -4.144) 7.272 4.420 ( 4.077 -1.735 -5.595) 7.137 4.685 ( 9.008 -3.269 -7.576) 12.216 4.805 ( -11.377 -1.225 16.849) 20.367 5.012 ( -1.621 -0.296 3.955) 4.284 5.320 ( 0.828 0.556 -4.604) 4.711 5.419 ( 1.346 -2.230 -3.998) 4.772 5.951 ( -4.566 -0.548 3.377) 5.705 6.096 ( -2.197 2.978 3.831) 5.326 6.191 ( 0.282 0.265 0.472) 0.610 6.464 ( 5.073 2.125 -2.887) 6.212 6.724 ( 2.288 3.193 0.927) 4.036 6.832 ( 3.219 -1.078 -4.956) 6.007 7.620 ( -6.930 -1.436 3.566) 7.925 7.908 ( 10.593 0.155 -9.275) 14.080 8.041 ( 5.153 1.400 3.505) 6.387 8.098 ( 3.504 2.845 4.055) 6.067 8.254 ( -0.627 -1.590 -4.522) 4.834 8.401 ( -4.282 -4.653 -4.819) 7.950 8.805 ( -12.805 -0.657 2.672) 13.097 8.855 ( 3.780 -0.700 2.912) 4.823 9.193 ( -0.969 0.166 0.477) 1.093 9.311 ( -4.147 -3.294 0.528) 5.322 9.863 ( -1.089 2.364 4.533) 5.227 10.319 ( 6.047 2.243 -13.762) 15.198 11.089 ( -13.597 -1.846 18.263) 22.843 11.655 ( 10.313 -0.022 -9.216) 13.831 13.999 ( -1.905 -0.143 0.955) 2.136 14.036 ( 1.204 -0.172 -1.220) 1.722 14.397 ( -4.323 0.941 1.811) 4.781 14.588 ( 3.577 6.716 -8.219) 11.200 16.035 ( -3.299 0.256 4.797) 5.828 16.161 ( 0.894 1.484 -0.216) 1.746 16.874 ( -2.647 2.078 1.674) 3.759 17.064 ( 9.310 0.731 -6.999) 11.670 17.871 ( -5.667 -2.846 6.468) 9.058 18.039 ( 3.633 -4.915 -2.157) 6.482 21.666 ( -4.536 0.204 6.146) 7.641 21.719 ( -2.200 -0.048 4.194) 4.736 22.945 ( 1.320 0.816 -3.467) 3.798 23.003 ( 0.866 -0.878 -5.955) 6.082 23.142 ( 0.497 3.062 3.650) 4.790 23.317 ( 2.919 -2.385 -3.698) 5.280 23.711 ( -2.181 -1.126 1.481) 2.867 23.747 ( 1.312 0.032 -0.310) 1.349 24.496 ( -11.283 -5.985 12.646) 17.973 24.897 ( 5.528 -1.381 -5.814) 8.140 25.122 ( 0.834 2.430 4.094) 4.833 25.224 ( 0.535 1.985 -0.524) 2.122 25.505 ( 1.269 -0.148 1.015) 1.632 25.712 ( 3.016 1.683 -10.250) 10.816 ======================= Grid point 176 (90/116) ======================= q-point: (-0.14 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -6.150 3.098 -2.406) 7.295 1.143 ( 2.289 2.433 4.545) 5.640 1.225 ( -1.557 3.656 -0.992) 4.095 1.249 ( -1.560 0.995 -3.397) 3.868 1.390 ( 0.425 5.401 5.023) 7.388 1.444 ( 1.716 1.488 -3.985) 4.587 1.490 ( 3.914 -1.008 5.300) 6.665 1.547 ( 1.040 -0.258 -1.093) 1.531 1.591 ( -0.968 0.562 0.911) 1.443 1.655 ( -1.182 2.071 -0.446) 2.426 1.669 ( -1.533 1.759 -1.549) 2.801 1.721 ( -3.987 2.210 -0.808) 4.630 1.779 ( -0.217 0.595 3.249) 3.310 1.863 ( 6.915 -1.069 -1.339) 7.124 1.912 ( 1.017 -1.994 -3.400) 4.070 1.932 ( 6.574 -0.740 -1.175) 6.719 2.095 ( -1.455 1.952 1.467) 2.843 2.144 ( 2.774 2.852 1.772) 4.355 2.482 ( 0.867 -1.886 4.108) 4.603 2.528 ( 1.895 -2.690 -1.493) 3.613 2.690 ( -5.688 0.346 9.856) 11.384 2.714 ( 1.537 1.375 0.320) 2.087 2.778 ( -1.748 1.163 3.422) 4.015 2.903 ( 0.830 0.421 -1.020) 1.381 2.959 ( -3.924 -1.886 3.294) 5.459 3.051 ( -1.755 -0.470 -0.325) 1.846 3.766 ( 6.230 -1.933 -9.296) 11.356 3.936 ( 4.817 0.445 -4.538) 6.633 4.419 ( 2.701 -1.265 -5.898) 6.610 4.735 ( 7.776 -3.216 -11.835) 14.522 4.850 ( -12.387 -2.154 20.445) 24.002 5.047 ( 0.342 0.705 3.991) 4.067 5.287 ( 1.856 0.081 -4.079) 4.482 5.397 ( -0.219 -1.624 -4.167) 4.478 5.934 ( -3.800 -0.787 3.846) 5.463 6.061 ( -6.464 2.656 5.954) 9.180 6.194 ( 2.427 1.076 -2.485) 3.637 6.490 ( 4.638 1.994 -1.921) 5.401 6.698 ( -2.990 1.468 -1.800) 3.786 6.768 ( -3.203 0.462 -5.622) 6.487 7.586 ( -4.490 -2.664 3.491) 6.281 7.937 ( 7.735 1.560 -8.218) 11.393 8.079 ( -0.252 3.582 1.471) 3.880 8.097 ( -1.267 1.094 -5.704) 5.945 8.290 ( -3.136 -4.072 -5.455) 7.494 8.393 ( 11.521 -2.807 6.649) 13.595 8.678 ( -8.451 -1.111 2.606) 8.913 9.048 ( 10.395 -1.832 6.232) 12.257 9.186 ( -1.549 -0.781 1.126) 2.068 9.294 ( -2.114 -0.539 2.200) 3.098 9.874 ( -2.523 1.243 5.022) 5.756 10.233 ( 6.109 2.657 -13.745) 15.274 11.066 ( -16.019 -0.074 16.198) 22.781 11.688 ( 8.692 0.011 -10.330) 13.500 13.987 ( -1.553 -0.477 1.178) 2.007 14.047 ( 1.469 -0.094 -0.725) 1.641 14.331 ( -5.137 2.813 2.222) 6.264 14.533 ( 4.106 3.196 -3.667) 6.365 16.037 ( -3.098 0.076 4.377) 5.363 16.157 ( 0.824 1.451 -0.477) 1.735 16.843 ( -2.305 1.075 1.888) 3.167 17.092 ( 7.761 1.929 -8.978) 12.023 17.884 ( -5.181 -3.889 5.391) 8.428 18.121 ( 4.745 -3.527 -2.009) 6.245 21.671 ( -3.569 -1.150 5.186) 6.399 21.759 ( 1.028 1.753 5.053) 5.446 22.924 ( -0.482 -0.666 -2.938) 3.050 22.957 ( 2.294 0.556 -4.889) 5.430 23.167 ( -0.263 1.485 3.917) 4.198 23.315 ( 2.543 -0.027 -5.674) 6.218 23.698 ( -2.357 -0.604 1.056) 2.652 23.767 ( 1.323 -0.379 -0.085) 1.379 24.499 ( -11.619 -3.080 11.689) 16.766 24.935 ( 4.566 -3.603 -4.699) 7.478 25.135 ( -1.680 2.960 2.093) 3.995 25.196 ( 1.992 3.904 -2.044) 4.836 25.506 ( -0.976 -0.845 0.629) 1.437 25.676 ( 4.331 -0.405 -7.264) 8.467 ======================= Grid point 180 (91/116) ======================= q-point: ( 0.43 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 3.415 -0.000 7.027) 7.813 1.160 ( -0.484 0.000 1.583) 1.655 1.269 ( -7.095 0.000 5.859) 9.201 1.404 ( -7.768 0.000 -0.593) 7.790 1.454 ( -1.798 0.000 -2.234) 2.867 1.474 ( -1.123 0.000 5.246) 5.365 1.503 ( 1.068 -0.000 -3.346) 3.513 1.581 ( 5.983 -0.000 -1.563) 6.184 1.591 ( 1.199 -0.000 0.287) 1.233 1.704 ( -0.137 0.000 -0.037) 0.142 1.726 ( -1.092 0.000 0.241) 1.119 1.796 ( -3.818 0.000 0.939) 3.931 1.828 ( -4.716 0.000 -0.933) 4.808 1.932 ( -3.240 0.000 -3.134) 4.508 1.997 ( 1.501 -0.000 -4.932) 5.155 2.013 ( 0.777 -0.000 -4.847) 4.909 2.091 ( 1.532 -0.000 1.107) 1.890 2.119 ( 0.397 -0.000 6.930) 6.942 2.365 ( 0.995 -0.000 4.791) 4.893 2.467 ( -2.182 0.000 -1.730) 2.785 2.623 ( -2.149 0.000 -0.842) 2.308 2.720 ( -11.041 0.000 12.264) 16.502 2.780 ( -8.203 0.000 8.291) 11.663 2.896 ( -1.091 0.000 -2.188) 2.445 2.981 ( 0.533 -0.000 -1.467) 1.561 3.165 ( -2.962 0.000 -3.503) 4.588 3.663 ( 8.383 -0.000 -6.624) 10.684 3.878 ( 4.996 -0.000 -3.758) 6.251 4.383 ( 5.136 -0.000 -4.673) 6.944 4.586 ( 9.702 -0.000 -7.498) 12.262 4.792 ( -13.862 0.000 16.032) 21.194 5.001 ( -3.480 0.000 2.917) 4.541 5.382 ( 0.567 -0.000 -4.861) 4.894 5.389 ( 3.987 -0.000 -4.413) 5.948 5.975 ( -4.207 0.000 2.957) 5.142 6.130 ( -2.308 0.000 13.428) 13.625 6.144 ( 5.655 -0.000 -8.254) 10.006 6.437 ( 8.121 -0.000 -3.997) 9.051 6.701 ( 6.475 -0.000 -1.161) 6.579 6.743 ( 7.091 -0.000 1.342) 7.217 7.661 ( -5.700 0.000 4.168) 7.061 7.849 ( 10.710 -0.000 -12.890) 16.759 7.970 ( 0.746 -0.000 5.505) 5.555 8.059 ( -0.290 0.000 5.133) 5.141 8.315 ( 2.044 -0.000 1.194) 2.367 8.360 ( 1.129 -0.000 -8.910) 8.982 8.910 ( -9.649 0.000 -3.580) 10.292 8.975 ( -12.268 0.000 1.530) 12.363 9.214 ( -0.783 0.000 -0.375) 0.869 9.315 ( -7.860 0.000 3.293) 8.522 9.866 ( 0.060 -0.000 3.934) 3.934 10.404 ( 6.872 -0.000 -12.594) 14.347 11.009 ( -11.502 0.000 22.498) 25.267 11.594 ( 10.221 -0.000 -8.594) 13.353 14.017 ( -1.970 0.000 1.134) 2.273 14.037 ( 0.856 -0.000 -1.917) 2.100 14.409 ( 0.635 -0.000 1.864) 1.969 14.746 ( 5.540 -0.000 -12.214) 13.412 16.037 ( -3.320 0.000 4.743) 5.790 16.170 ( 1.066 -0.000 -0.305) 1.109 16.928 ( -2.292 0.000 2.395) 3.316 16.992 ( 8.628 -0.000 -4.619) 9.787 17.871 ( -7.945 0.000 6.735) 10.415 17.959 ( 1.916 -0.000 -5.365) 5.697 21.699 ( -7.615 0.000 6.853) 10.244 21.701 ( -2.552 0.000 2.727) 3.734 23.010 ( 3.054 -0.000 -6.970) 7.610 23.012 ( -1.818 0.000 -0.951) 2.052 23.156 ( 4.108 -0.000 3.910) 5.671 23.232 ( -0.138 0.000 -1.409) 1.416 23.699 ( -1.197 0.000 2.152) 2.462 23.742 ( 0.482 -0.000 -0.691) 0.843 24.411 ( -10.119 0.000 13.986) 17.263 24.880 ( 3.931 -0.000 -5.528) 6.783 25.097 ( 0.622 -0.000 4.363) 4.407 25.223 ( 1.492 -0.000 0.355) 1.533 25.427 ( 3.244 -0.000 0.956) 3.382 25.855 ( 3.800 -0.000 -12.265) 12.841 ======================= Grid point 182 (92/116) ======================= q-point: (-0.43 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 6.690 1.986 4.120) 8.104 1.160 ( 0.458 -2.452 -0.895) 2.650 1.223 ( -3.459 7.041 7.999) 11.204 1.326 ( -3.139 -1.722 1.605) 3.923 1.375 ( -3.710 -0.292 -2.834) 4.677 1.498 ( 2.007 0.954 -0.914) 2.403 1.521 ( 1.937 -0.840 -0.116) 2.114 1.580 ( -1.573 2.570 -0.488) 3.052 1.638 ( -1.588 1.300 -1.820) 2.743 1.644 ( 0.587 0.069 -0.041) 0.592 1.734 ( 0.771 0.441 -0.368) 0.962 1.745 ( -0.106 1.047 0.435) 1.139 1.793 ( -1.579 -0.791 1.211) 2.142 1.848 ( -1.910 -1.382 -5.316) 5.816 1.917 ( -1.518 1.751 -4.065) 4.679 1.961 ( -0.339 -0.474 -5.323) 5.354 2.130 ( 0.438 -0.796 1.335) 1.615 2.166 ( -0.040 2.966 2.390) 3.809 2.429 ( 1.213 1.631 2.718) 3.394 2.467 ( 0.803 -1.677 1.832) 2.610 2.633 ( 2.319 -1.190 1.424) 2.970 2.695 ( -5.784 0.588 7.054) 9.141 2.811 ( -4.236 -2.076 10.414) 11.432 2.847 ( -3.342 0.839 0.206) 3.452 2.979 ( 0.069 -0.251 -0.707) 0.753 3.087 ( -4.939 0.072 0.636) 4.981 3.710 ( 7.652 -1.008 -7.548) 10.796 3.916 ( 5.808 0.339 -4.031) 7.078 4.396 ( 4.067 -0.903 -5.721) 7.078 4.644 ( 9.826 -1.364 -9.466) 13.712 4.787 ( -13.043 -0.668 18.350) 22.523 5.008 ( -1.319 -0.115 4.610) 4.796 5.330 ( 0.605 0.518 -5.047) 5.109 5.390 ( 2.248 -1.085 -4.610) 5.243 5.941 ( -4.604 -0.369 2.882) 5.444 6.138 ( 3.792 1.482 -4.239) 5.878 6.193 ( -4.956 0.067 8.115) 9.509 6.490 ( 4.403 0.862 -1.888) 4.868 6.769 ( 3.147 1.795 0.205) 3.628 6.815 ( 2.411 -0.819 -3.094) 4.007 7.601 ( -7.923 -0.662 3.466) 8.673 7.910 ( 14.298 0.081 -11.801) 18.539 8.060 ( 3.340 0.679 5.368) 6.359 8.133 ( 3.552 1.150 6.071) 7.127 8.252 ( -1.283 1.479 -7.145) 7.409 8.322 ( -3.490 -4.207 -4.560) 7.118 8.798 ( -13.241 -0.178 2.446) 13.467 8.846 ( 2.831 -0.316 3.097) 4.208 9.191 ( -0.701 -0.238 -1.457) 1.634 9.269 ( -3.004 -1.371 1.234) 3.525 9.896 ( -2.047 1.204 5.134) 5.656 10.348 ( 5.829 1.012 -13.164) 14.433 11.068 ( -12.953 -0.607 19.699) 23.584 11.653 ( 10.183 -0.106 -8.934) 13.547 13.997 ( -2.106 -0.056 0.922) 2.299 14.035 ( 1.348 0.005 -1.318) 1.885 14.409 ( -3.283 0.394 2.563) 4.184 14.668 ( 2.883 2.550 -10.381) 11.072 16.039 ( -3.579 0.148 4.959) 6.118 16.180 ( 1.126 0.650 -0.483) 1.387 16.903 ( -3.047 1.034 1.319) 3.478 17.074 ( 10.215 0.392 -6.670) 12.206 17.834 ( -6.967 -1.297 5.969) 9.266 17.976 ( 4.165 -2.199 -1.804) 5.043 21.669 ( -5.924 0.083 6.114) 8.514 21.719 ( -0.588 -0.017 4.501) 4.539 22.959 ( -0.572 0.711 -3.238) 3.364 22.988 ( 2.519 -0.707 -6.029) 6.573 23.199 ( 0.745 3.585 1.503) 3.958 23.266 ( 2.904 -3.420 -0.684) 4.538 23.699 ( -1.952 -0.377 1.820) 2.695 23.747 ( 1.063 0.012 -0.499) 1.174 24.427 ( -10.221 -2.101 14.251) 17.663 24.881 ( 4.779 -0.496 -6.399) 8.002 25.153 ( 0.301 1.098 4.771) 4.905 25.242 ( 0.655 0.373 0.346) 0.830 25.506 ( 4.969 0.073 0.619) 5.008 25.731 ( -0.608 0.543 -11.884) 11.912 ======================= Grid point 183 (93/116) ======================= q-point: (-0.29 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -5.204 2.524 -2.904) 6.472 1.184 ( -0.895 2.688 4.444) 5.270 1.255 ( -2.496 0.042 -3.607) 4.387 1.286 ( -1.116 2.708 1.106) 3.130 1.442 ( 6.855 -0.088 3.381) 7.644 1.490 ( 0.201 3.363 -0.857) 3.476 1.505 ( 0.240 2.386 1.192) 2.678 1.566 ( -0.436 2.489 1.315) 2.848 1.589 ( 1.728 -0.072 -1.582) 2.344 1.678 ( 2.582 0.705 -0.142) 2.681 1.693 ( -3.272 1.179 -0.189) 3.483 1.748 ( -2.556 0.627 2.034) 3.326 1.796 ( 0.089 1.705 0.639) 1.823 1.825 ( 2.664 -3.556 -1.493) 4.687 1.891 ( -0.165 -1.652 -2.351) 2.878 1.934 ( 7.646 1.483 -2.117) 8.071 2.125 ( -2.602 1.303 0.578) 2.967 2.166 ( 0.233 -0.185 1.020) 1.063 2.466 ( 2.218 0.212 2.474) 3.329 2.505 ( 2.602 -0.113 -1.114) 2.833 2.698 ( -2.801 0.574 6.316) 6.934 2.722 ( 4.390 -0.228 1.100) 4.532 2.792 ( -4.930 0.385 3.084) 5.828 2.878 ( -4.642 -2.489 8.673) 10.147 2.961 ( 0.097 1.353 -1.671) 2.152 3.037 ( -3.105 -0.983 0.638) 3.319 3.734 ( 6.251 -1.584 -8.599) 10.748 3.944 ( 4.856 0.478 -4.867) 6.892 4.396 ( 3.514 -1.274 -5.950) 7.026 4.683 ( 8.374 -2.651 -11.412) 14.401 4.817 ( -13.038 -1.610 19.867) 23.817 5.058 ( 0.666 0.541 5.005) 5.078 5.291 ( 2.331 0.303 -4.932) 5.463 5.372 ( 0.962 -1.254 -4.568) 4.834 5.913 ( -4.556 -1.123 3.172) 5.663 6.120 ( -2.908 3.599 2.789) 5.403 6.197 ( 0.115 -0.561 0.064) 0.576 6.522 ( 3.338 1.509 -0.706) 3.731 6.730 ( -2.830 1.969 -5.226) 6.260 6.773 ( -4.527 0.149 -1.247) 4.697 7.545 ( -4.958 -1.977 3.218) 6.233 7.959 ( 9.559 0.891 -10.758) 14.419 8.115 ( -2.724 1.713 -3.721) 4.919 8.140 ( 0.627 2.819 1.987) 3.505 8.221 ( -3.361 -3.881 -5.611) 7.606 8.345 ( 11.147 -2.413 4.838) 12.389 8.667 ( -7.863 -0.304 3.475) 8.602 9.021 ( 8.949 -1.254 7.756) 11.909 9.170 ( -0.393 -0.960 -1.778) 2.058 9.273 ( -0.535 -1.522 2.233) 2.754 9.903 ( -3.864 1.780 6.337) 7.632 10.275 ( 5.920 2.027 -13.127) 14.542 11.066 ( -15.172 0.031 17.004) 22.788 11.687 ( 8.652 -0.110 -10.500) 13.606 13.980 ( -1.718 -0.252 1.117) 2.065 14.046 ( 1.646 0.016 -0.742) 1.806 14.375 ( -4.543 2.115 3.991) 6.406 14.580 ( 1.541 2.136 -6.721) 7.219 16.039 ( -3.517 0.103 4.765) 5.923 16.180 ( 1.042 1.140 -0.937) 1.806 16.861 ( -2.794 1.002 1.126) 3.175 17.125 ( 9.049 1.859 -8.472) 12.535 17.820 ( -5.489 -3.235 4.878) 8.025 18.063 ( 5.767 -2.974 -0.903) 6.551 21.656 ( -4.450 -0.590 5.151) 6.832 21.784 ( 2.393 1.064 5.208) 5.830 22.915 ( -1.180 -0.405 -2.379) 2.686 22.965 ( 2.720 0.352 -5.087) 5.780 23.195 ( -0.471 1.641 1.399) 2.207 23.309 ( 3.352 -0.616 -3.288) 4.736 23.690 ( -2.088 -0.299 1.704) 2.711 23.760 ( 1.125 -0.331 -0.441) 1.253 24.453 ( -9.849 -2.062 13.785) 17.066 24.888 ( 4.306 -1.987 -6.325) 7.905 25.179 ( -1.679 2.113 3.144) 4.143 25.241 ( 1.266 1.402 -1.609) 2.482 25.521 ( -1.407 2.668 -1.889) 3.560 25.648 ( 3.695 -2.937 -6.308) 7.878 ======================= Grid point 184 (94/116) ======================= q-point: (-0.14 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -6.139 3.117 0.128) 6.886 1.177 ( -5.260 0.987 3.295) 6.285 1.182 ( -3.453 2.391 0.098) 4.201 1.246 ( -0.128 0.395 0.902) 0.993 1.456 ( 3.147 2.273 -2.386) 4.557 1.476 ( -0.704 5.358 1.081) 5.511 1.516 ( -0.953 0.929 -1.249) 1.825 1.575 ( 2.159 0.097 0.738) 2.284 1.609 ( -1.817 0.339 4.305) 4.685 1.639 ( -1.343 1.031 0.541) 1.778 1.695 ( -0.292 3.211 -0.608) 3.281 1.746 ( 4.316 2.670 2.202) 5.533 1.826 ( -1.016 0.805 3.799) 4.014 1.863 ( 0.924 -4.146 -0.069) 4.248 1.935 ( 3.878 -1.365 -0.265) 4.119 2.040 ( 5.708 0.068 -0.126) 5.709 2.085 ( -0.556 0.109 0.466) 0.734 2.183 ( -1.254 -2.113 1.278) 2.769 2.507 ( -0.058 0.151 -2.357) 2.362 2.577 ( 9.409 -0.816 -0.885) 9.486 2.710 ( -1.344 -0.389 2.562) 2.919 2.724 ( -8.071 1.554 9.917) 12.881 2.835 ( 4.758 -0.485 -0.969) 4.880 2.900 ( -6.911 -1.712 8.394) 11.007 2.955 ( 4.074 2.194 -0.913) 4.716 3.034 ( 2.664 -1.475 -1.050) 3.221 3.731 ( 5.090 -0.909 -9.039) 10.413 3.941 ( 3.276 0.214 -6.002) 6.841 4.385 ( 3.052 -0.350 -6.130) 6.856 4.670 ( 5.298 -1.868 -12.836) 14.012 4.862 ( -13.439 -2.793 19.971) 24.233 5.116 ( 1.264 1.648 3.776) 4.310 5.286 ( 4.385 0.172 -4.843) 6.535 5.343 ( 1.107 -0.924 -4.370) 4.602 5.889 ( -5.662 -2.685 2.665) 6.809 6.059 ( -6.702 4.157 5.940) 9.873 6.209 ( 3.717 0.013 -3.916) 5.399 6.547 ( 4.108 1.845 -4.359) 6.267 6.563 ( -6.221 1.233 -6.696) 9.223 6.672 ( -7.213 0.234 0.742) 7.255 7.567 ( -0.564 -2.472 3.879) 4.634 7.941 ( 3.895 -0.149 -10.112) 10.838 8.034 ( -0.081 2.708 -3.752) 4.629 8.067 ( -3.226 1.858 -1.006) 3.857 8.229 ( 1.340 -1.696 -0.057) 2.162 8.497 ( 1.179 -5.093 -2.459) 5.777 8.732 ( 7.072 0.667 10.114) 12.359 9.157 ( -0.811 -1.402 -0.337) 1.654 9.236 ( 5.608 -0.714 7.032) 9.023 9.340 ( 2.794 -1.186 5.335) 6.138 9.893 ( -5.655 1.890 7.240) 9.379 10.211 ( 8.288 2.464 -12.966) 15.584 11.003 ( -16.645 0.945 15.688) 22.893 11.679 ( 6.773 -0.294 -11.778) 13.589 13.978 ( -1.042 -0.518 1.575) 1.958 14.063 ( 1.482 0.111 -0.646) 1.620 14.328 ( -4.264 4.288 4.232) 7.381 14.551 ( 2.768 -1.884 -3.559) 4.887 16.038 ( -3.348 0.034 4.174) 5.351 16.172 ( 0.898 1.243 -1.378) 2.061 16.836 ( -1.677 0.166 1.446) 2.221 17.122 ( 6.788 3.783 -9.057) 11.934 17.833 ( -3.967 -4.161 4.413) 7.247 18.150 ( 5.116 -1.820 -2.532) 5.992 21.662 ( -3.417 -1.634 4.599) 5.958 21.874 ( 4.435 3.108 3.965) 6.712 22.876 ( -1.184 0.037 -1.492) 1.905 22.958 ( 1.169 -0.136 -0.970) 1.525 23.187 ( -0.796 -0.261 -0.353) 0.910 23.307 ( 3.102 1.818 -4.177) 5.511 23.680 ( -1.790 0.260 1.610) 2.422 23.773 ( 0.617 -0.816 -0.533) 1.153 24.469 ( -9.417 0.110 13.114) 16.145 24.899 ( 2.534 -3.815 -5.304) 7.008 25.129 ( -2.693 3.164 -0.899) 4.250 25.227 ( 0.871 1.583 -1.979) 2.679 25.485 ( -0.237 -2.245 -0.250) 2.271 25.665 ( 3.578 -0.212 -4.619) 5.846 ======================= Grid point 189 (95/116) ======================= q-point: (-0.43 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -4.059 0.000 -3.074) 5.092 1.210 ( -0.826 0.000 2.377) 2.516 1.257 ( -4.923 0.000 -1.774) 5.233 1.309 ( -0.945 0.000 1.452) 1.732 1.439 ( 7.536 -0.000 5.355) 9.245 1.515 ( 3.110 -0.000 -5.710) 6.502 1.526 ( -1.928 0.000 0.887) 2.122 1.562 ( 2.750 -0.000 1.921) 3.355 1.640 ( -0.557 0.000 -0.609) 0.826 1.683 ( 3.393 -0.000 1.020) 3.543 1.704 ( -3.825 0.000 -1.077) 3.974 1.751 ( -0.217 0.000 3.478) 3.484 1.770 ( -0.697 0.000 1.074) 1.281 1.827 ( 1.682 -0.000 -1.035) 1.975 1.862 ( -1.133 0.000 -2.178) 2.456 1.953 ( 6.652 -0.000 -3.123) 7.349 2.135 ( -1.602 0.000 1.923) 2.503 2.159 ( -2.726 0.000 -1.209) 2.982 2.473 ( 2.571 -0.000 -0.080) 2.572 2.509 ( 2.988 -0.000 0.602) 3.048 2.705 ( -2.141 0.000 3.930) 4.476 2.715 ( 6.231 -0.000 1.805) 6.488 2.795 ( -5.946 0.000 3.029) 6.673 2.853 ( -6.050 0.000 11.579) 13.065 2.976 ( 1.395 -0.000 -2.093) 2.516 3.027 ( -4.346 0.000 1.369) 4.557 3.720 ( 6.330 -0.000 -8.318) 10.452 3.949 ( 4.810 -0.000 -4.949) 6.902 4.384 ( 3.871 -0.000 -5.869) 7.031 4.659 ( 8.627 -0.000 -11.407) 14.302 4.802 ( -13.220 0.000 19.706) 23.730 5.063 ( 0.836 -0.000 5.380) 5.444 5.294 ( 2.465 -0.000 -5.283) 5.830 5.360 ( 1.416 -0.000 -4.744) 4.951 5.903 ( -4.744 0.000 2.968) 5.596 6.159 ( 5.870 -0.000 -5.844) 8.283 6.184 ( -8.315 0.000 8.270) 11.728 6.535 ( 2.595 -0.000 0.070) 2.596 6.749 ( -2.536 0.000 -6.830) 7.286 6.774 ( -4.988 0.000 0.538) 5.017 7.528 ( -5.200 0.000 3.245) 6.129 7.966 ( 10.127 -0.000 -11.868) 15.602 8.141 ( -3.585 0.000 -5.217) 6.330 8.164 ( -0.542 0.000 3.745) 3.784 8.178 ( -1.144 0.000 -4.391) 4.538 8.324 ( 10.565 -0.000 3.604) 11.163 8.665 ( -7.438 0.000 3.775) 8.341 9.010 ( 8.318 -0.000 8.301) 11.752 9.161 ( 0.334 -0.000 -2.736) 2.756 9.258 ( -0.380 0.000 2.210) 2.242 9.920 ( -4.182 0.000 6.756) 7.946 10.293 ( 5.816 -0.000 -12.879) 14.131 11.066 ( -14.814 0.000 17.264) 22.748 11.686 ( 8.640 -0.000 -10.514) 13.608 13.978 ( -1.773 0.000 1.130) 2.102 14.047 ( 1.696 -0.000 -0.770) 1.862 14.394 ( -4.258 0.000 4.711) 6.350 14.598 ( 0.417 -0.000 -7.956) 7.966 16.040 ( -3.714 0.000 4.924) 6.168 16.191 ( 1.127 -0.000 -1.125) 1.592 16.871 ( -3.080 0.000 0.760) 3.172 17.143 ( 9.751 -0.000 -8.238) 12.765 17.791 ( -5.605 0.000 4.725) 7.331 18.036 ( 6.134 -0.000 -0.497) 6.154 21.651 ( -4.749 0.000 5.156) 7.010 21.793 ( 2.910 -0.000 5.255) 6.007 22.911 ( -1.418 0.000 -2.178) 2.599 22.968 ( 2.853 -0.000 -5.157) 5.894 23.211 ( -0.780 0.000 -0.489) 0.920 23.301 ( 3.871 -0.000 -1.304) 4.084 23.688 ( -1.919 0.000 1.888) 2.692 23.757 ( 1.025 -0.000 -0.588) 1.182 24.436 ( -9.219 0.000 14.547) 17.222 24.871 ( 4.218 -0.000 -6.914) 8.099 25.198 ( -1.567 0.000 3.677) 3.997 25.251 ( 0.727 -0.000 -1.112) 1.328 25.575 ( -3.220 0.000 -9.335) 9.875 25.593 ( 5.271 -0.000 0.035) 5.271 ======================= Grid point 190 (96/116) ======================= q-point: (-0.29 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -5.453 1.957 -1.793) 6.065 1.181 ( -5.773 -0.308 2.958) 6.494 1.208 ( -2.225 0.979 2.491) 3.481 1.265 ( -5.035 1.142 1.228) 5.307 1.492 ( 1.547 1.609 -2.733) 3.529 1.512 ( 1.843 0.551 -3.444) 3.944 1.548 ( 0.761 -0.666 3.314) 3.464 1.593 ( 0.135 3.016 -1.986) 3.613 1.613 ( -1.949 0.972 4.547) 5.042 1.651 ( -0.012 -0.552 -1.258) 1.374 1.747 ( -0.486 2.045 2.347) 3.151 1.790 ( 3.898 2.893 1.103) 4.978 1.807 ( -0.214 -1.618 0.295) 1.658 1.835 ( -0.986 0.004 5.257) 5.348 1.897 ( 3.358 -3.245 2.113) 5.126 2.040 ( 6.562 0.407 -2.833) 7.159 2.081 ( -3.656 -0.698 -0.496) 3.755 2.142 ( -2.041 -1.673 3.162) 4.119 2.525 ( 1.591 1.166 -3.506) 4.023 2.567 ( 11.266 -0.342 -2.606) 11.568 2.702 ( -1.294 -0.429 0.406) 1.422 2.747 ( -8.651 0.949 9.249) 12.700 2.822 ( 3.920 -0.792 0.094) 4.000 2.876 ( -7.212 -0.787 9.921) 12.291 2.987 ( 4.791 1.308 -1.020) 5.070 3.012 ( 1.432 -1.003 -0.023) 1.749 3.721 ( 5.858 -0.300 -7.847) 9.798 3.944 ( 3.280 0.118 -6.551) 7.327 4.381 ( 4.096 -0.145 -5.759) 7.069 4.644 ( 6.463 -0.958 -12.443) 14.054 4.828 ( -13.608 -1.143 19.717) 23.985 5.137 ( 1.626 0.714 4.382) 4.728 5.292 ( 5.221 0.351 -5.502) 7.593 5.328 ( 1.087 -0.698 -4.528) 4.708 5.857 ( -6.568 -0.996 2.479) 7.091 6.122 ( -7.405 2.922 5.473) 9.661 6.193 ( 4.377 -1.534 -4.444) 6.423 6.566 ( -0.309 0.512 2.233) 2.311 6.597 ( -1.977 1.943 -11.899) 12.218 6.667 ( -8.279 -0.632 0.451) 8.315 7.536 ( -0.404 -1.037 4.241) 4.385 7.938 ( 3.235 -0.119 -10.772) 11.248 8.064 ( 1.020 0.954 -3.242) 3.530 8.079 ( -3.798 -0.250 -1.608) 4.132 8.231 ( 1.739 1.162 1.212) 2.418 8.426 ( 1.623 -2.769 -3.343) 4.634 8.741 ( 6.557 0.355 9.832) 11.823 9.137 ( -2.111 -0.736 2.181) 3.124 9.232 ( 8.250 0.077 5.380) 9.850 9.313 ( 2.973 -1.411 3.610) 4.885 9.925 ( -5.964 1.347 8.716) 10.647 10.242 ( 7.714 1.037 -12.954) 15.112 11.016 ( -16.147 0.441 15.941) 22.694 11.675 ( 6.995 -0.133 -12.333) 14.180 13.973 ( -1.109 -0.144 1.603) 1.955 14.064 ( 1.560 0.064 -0.577) 1.664 14.386 ( -3.984 2.141 5.854) 7.397 14.520 ( -0.652 -1.358 -5.507) 5.709 16.038 ( -3.700 0.009 4.586) 5.892 16.188 ( 1.022 0.555 -1.832) 2.170 16.838 ( -2.094 0.030 0.687) 2.204 17.175 ( 8.360 2.030 -8.935) 12.403 17.779 ( -3.879 -1.892 4.516) 6.246 18.123 ( 6.058 -1.003 -1.843) 6.411 21.644 ( -3.965 -0.542 4.672) 6.151 21.911 ( 6.265 1.201 3.717) 7.383 22.876 ( -1.453 0.020 -0.278) 1.479 22.957 ( 1.380 -0.051 -2.133) 2.541 23.185 ( -1.149 -0.018 -1.502) 1.891 23.329 ( 3.621 0.694 -3.328) 4.967 23.685 ( -1.436 0.201 2.086) 2.541 23.763 ( 0.523 -0.383 -0.886) 1.098 24.471 ( -7.969 0.087 14.565) 16.603 24.855 ( 3.230 -1.384 -6.792) 7.647 25.179 ( -3.386 2.201 0.725) 4.103 25.235 ( 0.584 -0.242 -3.575) 3.630 25.460 ( -1.321 -0.766 -3.604) 3.914 25.655 ( 2.841 -0.532 -1.179) 3.122 ======================= Grid point 191 (97/116) ======================= q-point: (-0.14 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -6.567 1.146 1.525) 6.838 1.148 ( -4.704 2.371 5.756) 7.802 1.178 ( -6.178 0.522 5.593) 8.350 1.237 ( -1.668 -1.766 2.242) 3.305 1.434 ( -3.464 -0.210 -0.435) 3.498 1.507 ( 2.451 1.860 -2.299) 3.841 1.543 ( -0.231 3.879 -0.416) 3.908 1.593 ( -1.802 0.786 2.149) 2.912 1.631 ( -1.762 -1.963 4.088) 4.866 1.662 ( 2.063 0.328 -2.105) 2.965 1.705 ( -1.814 2.689 1.523) 3.584 1.791 ( -1.251 0.191 2.196) 2.535 1.867 ( 2.513 -0.234 0.764) 2.637 1.882 ( 0.787 0.992 2.319) 2.643 1.940 ( -3.540 0.154 3.652) 5.088 2.051 ( 0.123 -3.864 1.990) 4.348 2.110 ( 0.422 -3.156 -0.736) 3.268 2.190 ( 3.514 1.106 2.218) 4.300 2.458 ( -1.305 1.837 -5.828) 6.248 2.612 ( 1.039 -0.257 -5.470) 5.574 2.725 ( -10.021 0.402 12.771) 16.238 2.771 ( 6.050 -0.093 -1.470) 6.227 2.845 ( 0.077 -1.826 3.056) 3.561 2.892 ( -2.377 -1.461 4.045) 4.914 3.055 ( 3.624 2.272 1.448) 4.516 3.100 ( 7.030 -2.367 0.400) 7.429 3.721 ( 5.564 1.563 -7.106) 9.159 3.906 ( 2.616 -0.204 -7.679) 8.115 4.373 ( 4.102 0.887 -6.044) 7.358 4.592 ( 5.017 -0.291 -12.633) 13.596 4.851 ( -13.904 -2.312 18.347) 23.136 5.180 ( -0.976 2.001 3.526) 4.170 5.287 ( 2.712 0.167 -4.591) 5.335 5.338 ( 6.583 -1.053 -5.898) 8.901 5.786 ( -7.535 -2.676 2.759) 8.459 6.057 ( -5.509 2.596 5.008) 7.885 6.214 ( 4.271 -1.110 -5.375) 6.954 6.408 ( -0.087 3.588 -12.548) 13.051 6.577 ( -1.486 0.274 1.222) 1.943 6.591 ( -2.367 -0.692 0.157) 2.471 7.603 ( 0.415 -1.481 4.957) 5.190 7.867 ( 0.159 -0.602 -5.718) 5.752 8.012 ( -0.462 2.536 -3.016) 3.967 8.059 ( 1.884 0.346 -2.128) 2.863 8.238 ( 0.132 0.730 -0.089) 0.747 8.435 ( 1.648 -4.487 -3.526) 5.940 8.948 ( 5.670 0.344 8.357) 10.105 9.142 ( -0.253 -0.965 0.801) 1.280 9.361 ( -0.553 -0.194 6.752) 6.777 9.434 ( 5.541 -1.355 3.317) 6.599 9.903 ( -8.903 3.500 9.845) 13.727 10.239 ( 12.323 0.856 -12.083) 17.280 10.953 ( -15.179 1.700 17.343) 23.110 11.628 ( 5.981 -0.396 -13.264) 14.555 13.983 ( -0.560 -0.348 1.994) 2.100 14.075 ( 1.001 0.276 -0.917) 1.385 14.359 ( -3.379 4.040 4.705) 7.062 14.506 ( 1.485 -6.065 -3.595) 7.206 16.032 ( -3.572 0.008 4.176) 5.495 16.173 ( 0.897 0.722 -2.270) 2.545 16.829 ( -0.866 -0.829 1.169) 1.675 17.151 ( 5.789 4.678 -9.523) 12.087 17.806 ( -2.683 -2.894 5.186) 6.517 18.173 ( 4.037 -0.459 -4.340) 5.945 21.646 ( -3.865 -1.390 4.690) 6.234 22.007 ( 6.411 3.909 -1.567) 7.671 22.866 ( -1.041 0.233 2.429) 2.652 22.975 ( 0.133 -0.244 3.348) 3.360 23.144 ( -1.196 -0.642 -3.365) 3.629 23.329 ( 3.458 1.596 -3.989) 5.515 23.688 ( -0.744 1.010 2.350) 2.664 23.759 ( -0.162 -0.946 -1.298) 1.615 24.514 ( -6.577 3.060 14.564) 16.271 24.844 ( 2.773 -2.699 -6.013) 7.151 25.097 ( -3.082 2.709 -1.437) 4.348 25.200 ( -0.402 -0.943 -3.214) 3.373 25.467 ( 1.552 -3.192 -0.342) 3.566 25.657 ( 0.625 -0.602 -3.040) 3.162 ======================= Grid point 197 (98/116) ======================= q-point: (-0.29 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -6.917 0.000 -0.317) 6.925 1.153 ( -8.276 0.000 10.235) 13.163 1.199 ( -1.776 0.000 -0.029) 1.776 1.221 ( -5.066 0.000 4.833) 7.002 1.432 ( -3.909 0.000 -0.882) 4.008 1.523 ( 1.776 -0.000 -2.774) 3.293 1.583 ( -1.737 0.000 1.851) 2.538 1.594 ( -3.721 0.000 2.549) 4.511 1.634 ( 2.268 -0.000 1.208) 2.570 1.644 ( 1.814 -0.000 -1.691) 2.479 1.715 ( -4.709 0.000 -2.046) 5.134 1.824 ( -1.379 0.000 4.061) 4.289 1.854 ( 1.246 -0.000 4.548) 4.716 1.911 ( 3.310 -0.000 1.885) 3.809 1.931 ( -2.446 0.000 5.061) 5.621 2.004 ( -3.044 0.000 0.974) 3.196 2.076 ( 1.163 -0.000 -1.438) 1.850 2.201 ( 5.018 -0.000 1.842) 5.346 2.480 ( -0.661 0.000 -6.379) 6.413 2.607 ( 1.720 -0.000 -6.894) 7.105 2.730 ( -10.030 0.000 12.681) 16.168 2.780 ( 11.376 -0.000 -1.453) 11.469 2.816 ( -5.453 0.000 4.200) 6.883 2.879 ( -1.941 0.000 2.711) 3.334 3.075 ( 5.336 -0.000 0.951) 5.420 3.078 ( 3.700 -0.000 1.722) 4.081 3.737 ( 6.517 -0.000 -6.145) 8.957 3.904 ( 2.785 -0.000 -8.191) 8.652 4.382 ( 4.517 -0.000 -5.886) 7.420 4.588 ( 5.775 -0.000 -12.607) 13.867 4.830 ( -14.021 0.000 18.293) 23.048 5.197 ( -1.044 0.000 3.987) 4.121 5.292 ( 2.403 -0.000 -4.822) 5.388 5.324 ( 6.881 -0.000 -6.261) 9.303 5.763 ( -7.783 0.000 2.891) 8.303 6.082 ( -6.344 0.000 4.907) 8.020 6.201 ( 4.495 -0.000 -5.665) 7.232 6.446 ( 1.250 -0.000 -13.251) 13.310 6.570 ( -5.200 0.000 1.605) 5.442 6.589 ( 0.135 -0.000 0.501) 0.519 7.589 ( 0.304 -0.000 5.349) 5.358 7.862 ( 0.578 -0.000 -6.389) 6.415 8.037 ( -2.316 0.000 1.455) 2.736 8.057 ( 3.518 -0.000 -5.740) 6.732 8.254 ( -0.204 0.000 0.481) 0.523 8.388 ( 2.130 -0.000 -4.288) 4.788 8.952 ( 5.621 -0.000 8.621) 10.292 9.134 ( -0.488 0.000 1.156) 1.254 9.360 ( -1.389 0.000 6.401) 6.550 9.418 ( 7.297 -0.000 2.665) 7.768 9.939 ( -8.164 0.000 10.719) 13.474 10.246 ( 11.893 -0.000 -12.681) 17.385 10.969 ( -14.505 0.000 17.815) 22.973 11.625 ( 6.295 -0.000 -13.788) 15.157 13.980 ( -0.622 0.000 2.039) 2.132 14.077 ( 1.069 -0.000 -0.746) 1.303 14.415 ( -3.301 0.000 6.582) 7.363 14.430 ( -1.361 0.000 -5.324) 5.496 16.032 ( -3.757 0.000 4.432) 5.810 16.180 ( 0.945 -0.000 -2.624) 2.789 16.821 ( -1.051 0.000 0.688) 1.257 17.195 ( 6.797 -0.000 -10.199) 12.256 17.780 ( -2.718 0.000 5.891) 6.488 18.168 ( 4.507 -0.000 -4.145) 6.123 21.634 ( -4.032 0.000 4.812) 6.278 22.041 ( 8.149 -0.000 -2.669) 8.575 22.868 ( -1.321 0.000 2.477) 2.807 22.972 ( 0.405 -0.000 3.506) 3.529 23.138 ( -1.519 0.000 -3.130) 3.479 23.343 ( 3.677 -0.000 -4.458) 5.779 23.698 ( -0.416 0.000 2.582) 2.615 23.750 ( -0.131 0.000 -1.491) 1.497 24.544 ( -4.759 0.000 15.716) 16.421 24.821 ( 3.498 -0.000 -6.765) 7.616 25.135 ( -4.677 0.000 0.265) 4.685 25.178 ( 0.150 -0.000 -5.726) 5.728 25.433 ( 1.729 -0.000 -1.111) 2.055 25.653 ( -1.577 0.000 -1.403) 2.111 ======================= Grid point 198 (99/116) ======================= q-point: (-0.14 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -6.921 -0.627 4.489) 8.273 1.084 ( -13.127 -1.624 3.862) 13.779 1.190 ( -0.828 1.122 4.827) 5.024 1.236 ( -1.079 -1.274 4.048) 4.379 1.412 ( -2.450 -0.333 6.023) 6.511 1.497 ( -1.300 -0.165 -2.627) 2.936 1.526 ( -4.317 2.899 0.635) 5.239 1.573 ( -5.511 -1.868 3.398) 6.739 1.609 ( -3.583 -2.914 -0.048) 4.619 1.646 ( -0.181 4.059 1.335) 4.277 1.713 ( 1.546 -3.309 0.621) 3.705 1.858 ( 2.370 1.922 1.230) 3.290 1.892 ( -1.731 -0.432 2.708) 3.243 1.923 ( 0.185 5.121 0.439) 5.143 1.947 ( -2.526 0.272 5.281) 5.860 2.034 ( -0.099 -5.103 1.554) 5.336 2.071 ( 0.291 -1.735 -3.499) 3.916 2.279 ( 4.152 1.284 -1.279) 4.530 2.399 ( -1.643 1.661 -0.458) 2.381 2.555 ( 1.302 -0.533 -5.993) 6.156 2.727 ( -7.175 1.660 9.667) 12.152 2.784 ( -3.649 0.159 4.261) 5.612 2.881 ( -3.409 -1.223 3.602) 5.108 2.917 ( 6.660 -2.070 -2.241) 7.325 3.080 ( -4.475 1.300 0.639) 4.703 3.137 ( 0.192 -2.354 -0.163) 2.367 3.746 ( 4.575 2.211 -6.633) 8.356 3.858 ( 3.596 -0.258 -8.305) 9.054 4.381 ( 5.015 0.728 -6.070) 7.907 4.555 ( 8.113 0.564 -10.450) 13.242 4.818 ( -13.836 -1.561 15.750) 21.022 5.172 ( -6.243 0.969 2.965) 6.979 5.315 ( 6.561 0.427 -3.102) 7.270 5.348 ( 4.540 -1.263 -5.648) 7.356 5.758 ( 0.032 -1.121 6.607) 6.702 6.049 ( -4.342 1.016 3.993) 5.986 6.189 ( 2.608 -0.859 -6.221) 6.800 6.363 ( 9.139 2.882 -13.139) 16.262 6.543 ( -1.413 -1.721 0.711) 2.337 6.599 ( 0.630 0.342 1.562) 1.719 7.648 ( -1.283 -0.713 5.565) 5.755 7.822 ( 1.140 -0.423 -3.403) 3.613 8.005 ( 0.382 3.162 -3.080) 4.431 8.051 ( 1.267 -1.573 -3.145) 3.737 8.258 ( 0.069 1.696 2.812) 3.285 8.399 ( 3.231 -3.137 -3.908) 5.962 9.075 ( 0.999 0.538 4.793) 4.925 9.142 ( 0.661 -0.762 -0.882) 1.340 9.327 ( -10.950 -0.013 4.890) 11.992 9.563 ( 8.436 -1.323 0.395) 8.548 9.882 ( -12.659 3.675 7.791) 15.312 10.307 ( 13.727 -0.250 -12.003) 18.237 11.007 ( -8.523 2.817 21.328) 23.140 11.569 ( 7.162 -0.302 -13.583) 15.359 13.996 ( -0.538 -0.207 2.105) 2.182 14.077 ( 0.576 0.524 -1.150) 1.389 14.374 ( 0.449 -1.487 -2.208) 2.700 14.449 ( -1.615 -2.727 3.055) 4.402 16.026 ( -3.625 0.014 4.382) 5.687 16.159 ( 0.639 0.125 -2.923) 2.995 16.824 ( -0.530 -0.945 1.238) 1.645 17.136 ( 2.832 2.653 -11.045) 11.707 17.822 ( -2.581 -0.883 7.314) 7.807 18.163 ( 2.509 0.153 -5.540) 6.084 21.632 ( -4.292 -0.668 5.319) 6.867 22.047 ( 2.169 2.466 -8.893) 9.480 22.894 ( -0.832 -0.326 4.931) 5.011 23.044 ( 1.559 0.777 4.800) 5.107 23.076 ( -0.964 -0.696 -4.237) 4.401 23.345 ( 3.927 0.760 -4.364) 5.920 23.725 ( 0.401 1.004 2.195) 2.446 23.732 ( -0.072 -0.450 -0.987) 1.087 24.673 ( 0.491 6.410 15.902) 17.153 24.815 ( 4.615 -1.170 -6.061) 7.707 25.054 ( -3.669 1.986 -0.567) 4.211 25.146 ( 0.830 -3.229 -3.277) 4.675 25.471 ( 1.850 -1.957 0.209) 2.702 25.585 ( -4.470 -2.662 -2.270) 5.676 ======================= Grid point 205 (100/116) ======================= q-point: (-0.14 -0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -5.264 0.000 9.269) 10.660 0.912 ( -13.677 0.000 6.635) 15.201 1.225 ( 0.600 -0.000 1.288) 1.421 1.282 ( 1.074 -0.000 4.539) 4.664 1.419 ( -4.132 0.000 -2.332) 4.745 1.470 ( -0.585 0.000 5.089) 5.122 1.494 ( -3.475 0.000 -0.306) 3.488 1.496 ( -6.591 0.000 2.611) 7.090 1.569 ( -1.284 0.000 2.672) 2.965 1.690 ( 0.755 -0.000 -1.327) 1.527 1.716 ( -2.356 0.000 8.619) 8.935 1.864 ( 2.862 -0.000 -8.748) 9.204 1.870 ( -1.487 0.000 -1.644) 2.216 1.939 ( -4.074 0.000 4.044) 5.740 1.976 ( -3.425 0.000 0.075) 3.426 2.002 ( -1.527 0.000 -1.325) 2.022 2.019 ( -0.169 0.000 0.514) 0.541 2.284 ( -0.853 0.000 -2.025) 2.198 2.449 ( 1.664 -0.000 5.122) 5.386 2.519 ( 2.830 -0.000 -5.710) 6.373 2.741 ( -5.916 0.000 6.166) 8.545 2.786 ( -0.061 0.000 0.747) 0.750 2.834 ( -9.533 0.000 6.899) 11.767 2.866 ( -6.145 0.000 -4.151) 7.416 3.003 ( -4.666 0.000 1.127) 4.800 3.133 ( 0.993 -0.000 0.005) 0.993 3.736 ( 4.101 -0.000 -6.734) 7.885 3.834 ( 5.168 -0.000 -7.154) 8.826 4.402 ( 6.009 -0.000 -5.371) 8.059 4.613 ( 12.421 -0.000 -8.293) 14.935 4.779 ( -13.045 0.000 15.104) 19.958 5.104 ( -6.191 0.000 1.668) 6.411 5.343 ( 2.732 -0.000 -3.601) 4.520 5.400 ( 6.739 -0.000 -0.767) 6.783 5.871 ( 1.697 -0.000 8.418) 8.587 6.040 ( -3.499 0.000 4.999) 6.102 6.160 ( 3.301 -0.000 -5.998) 6.847 6.387 ( 8.665 -0.000 -10.283) 13.447 6.535 ( 1.113 -0.000 0.279) 1.147 6.672 ( 7.839 -0.000 0.516) 7.856 7.674 ( -3.255 0.000 5.495) 6.386 7.816 ( 2.881 -0.000 -2.426) 3.766 7.995 ( -0.758 0.000 -1.909) 2.054 8.004 ( 1.644 -0.000 -5.939) 6.162 8.344 ( 1.830 -0.000 7.911) 8.119 8.384 ( 3.085 -0.000 -4.880) 5.774 9.089 ( -4.336 0.000 1.306) 4.529 9.090 ( -3.667 0.000 -7.072) 7.966 9.211 ( -9.797 0.000 6.499) 11.757 9.648 ( -3.313 0.000 6.395) 7.202 9.753 ( -7.046 0.000 -2.977) 7.649 10.352 ( 11.152 -0.000 -13.660) 17.634 11.159 ( -5.091 0.000 16.957) 17.705 11.550 ( 9.718 -0.000 -11.866) 15.338 14.007 ( -0.873 0.000 1.872) 2.066 14.074 ( 0.465 -0.000 -1.479) 1.550 14.337 ( 2.894 -0.000 -4.338) 5.215 14.466 ( -2.496 0.000 4.803) 5.413 16.023 ( -3.480 0.000 4.595) 5.764 16.133 ( -0.021 0.000 -2.272) 2.272 16.826 ( -0.815 0.000 1.660) 1.849 17.050 ( 0.832 -0.000 -8.610) 8.650 17.868 ( -3.173 0.000 8.650) 9.213 18.142 ( 2.835 -0.000 -4.999) 5.747 21.628 ( -4.256 0.000 5.977) 7.337 21.931 ( -5.592 0.000 -6.738) 8.756 22.945 ( -0.646 0.000 6.436) 6.468 23.002 ( -0.336 0.000 -5.296) 5.307 23.105 ( 2.361 -0.000 -1.735) 2.930 23.363 ( 4.114 -0.000 -4.193) 5.874 23.715 ( 0.665 -0.000 -1.235) 1.403 23.767 ( 0.045 -0.000 1.892) 1.892 24.827 ( 6.388 -0.000 -5.719) 8.574 24.928 ( 2.643 -0.000 8.321) 8.731 25.011 ( -1.312 0.000 0.898) 1.590 25.109 ( 1.641 -0.000 -2.619) 3.091 25.483 ( -3.973 0.000 2.908) 4.924 25.491 ( 1.431 -0.000 0.320) 1.467 ======================= Grid point 206 (101/116) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -6.752 0.000 -3.317) 7.522 1.010 ( 6.752 -0.000 3.317) 7.522 1.220 ( -3.534 0.000 -3.237) 4.792 1.220 ( 3.534 -0.000 3.237) 4.792 1.354 ( 1.860 -0.000 -2.852) 3.405 1.354 ( -1.860 0.000 2.852) 3.405 1.525 ( -3.664 0.000 -2.874) 4.657 1.525 ( 3.664 -0.000 2.874) 4.657 1.618 ( 0.370 -0.000 -1.589) 1.632 1.618 ( -0.370 0.000 1.589) 1.632 1.696 ( -1.052 0.000 -4.267) 4.394 1.696 ( 1.052 -0.000 4.267) 4.394 1.801 ( 4.769 -0.000 -3.512) 5.923 1.801 ( -4.769 0.000 3.512) 5.923 1.889 ( 2.063 -0.000 -4.088) 4.579 1.889 ( -2.063 0.000 4.088) 4.579 2.079 ( -2.080 0.000 -3.083) 3.719 2.079 ( 2.080 -0.000 3.083) 3.719 2.548 ( 1.966 -0.000 -3.558) 4.065 2.548 ( -1.966 0.000 3.558) 4.065 2.707 ( 2.471 -0.000 -3.732) 4.476 2.707 ( -2.471 0.000 3.732) 4.476 2.860 ( 0.419 -0.000 -1.721) 1.771 2.860 ( -0.419 0.000 1.721) 1.771 3.060 ( -1.424 0.000 0.046) 1.424 3.060 ( 1.424 -0.000 -0.046) 1.424 3.757 ( 5.446 -0.000 -5.490) 7.733 3.757 ( -5.446 0.000 5.490) 7.733 4.535 ( 8.381 -0.000 -10.532) 13.460 4.535 ( -8.381 0.000 10.532) 13.460 5.069 ( -0.911 0.000 -1.811) 2.028 5.069 ( 0.911 -0.000 1.811) 2.028 5.345 ( 4.364 -0.000 -7.698) 8.849 5.345 ( -4.364 0.000 7.698) 8.849 6.039 ( 4.831 -0.000 -5.794) 7.544 6.039 ( -4.831 0.000 5.794) 7.544 6.281 ( 10.153 -0.000 -9.329) 13.789 6.281 ( -10.153 0.000 9.329) 13.789 6.713 ( -2.358 0.000 -4.506) 5.085 6.713 ( 2.358 -0.000 4.506) 5.085 7.758 ( 6.068 -0.000 -6.723) 9.057 7.758 ( -6.068 0.000 6.723) 9.057 8.042 ( 0.343 -0.000 -1.769) 1.802 8.042 ( -0.343 0.000 1.769) 1.802 8.369 ( -6.687 0.000 -6.416) 9.267 8.369 ( 6.687 -0.000 6.416) 9.267 8.882 ( -12.559 0.000 2.211) 12.752 8.882 ( 12.559 -0.000 -2.211) 12.752 9.294 ( 0.317 -0.000 -7.186) 7.193 9.294 ( -0.317 0.000 7.186) 7.193 9.981 ( 4.661 -0.000 -12.156) 13.019 9.981 ( -4.661 0.000 12.156) 13.019 11.421 ( 12.994 -0.000 -12.618) 18.113 11.421 ( -12.994 0.000 12.618) 18.113 14.025 ( 1.113 -0.000 -1.020) 1.510 14.025 ( -1.113 0.000 1.020) 1.510 14.382 ( -6.335 0.000 0.404) 6.347 14.382 ( 6.335 -0.000 -0.404) 6.347 16.105 ( 2.051 -0.000 -2.389) 3.149 16.105 ( -2.051 0.000 2.389) 3.149 16.911 ( 4.389 -0.000 -5.549) 7.075 16.911 ( -4.389 0.000 5.549) 7.075 18.067 ( 4.778 -0.000 -5.352) 7.175 18.067 ( -4.778 0.000 5.352) 7.175 21.747 ( -0.274 0.000 -1.538) 1.562 21.747 ( 0.274 -0.000 1.538) 1.562 22.912 ( -1.593 0.000 -2.241) 2.750 22.912 ( 1.593 -0.000 2.241) 2.750 23.222 ( 1.753 -0.000 -6.545) 6.776 23.222 ( -1.753 0.000 6.545) 6.776 23.746 ( -2.194 0.000 0.030) 2.195 23.746 ( 2.194 -0.000 -0.030) 2.195 24.822 ( 12.344 -0.000 -6.847) 14.116 24.822 ( -12.344 0.000 6.847) 14.116 25.103 ( -0.142 0.000 -0.439) 0.462 25.103 ( 0.142 -0.000 0.439) 0.462 25.568 ( 2.470 -0.000 -3.484) 4.271 25.568 ( -2.470 0.000 3.484) 4.271 ======================= Grid point 208 (102/116) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -3.241 -2.380 0.429) 4.044 1.082 ( 0.945 -1.596 -6.841) 7.088 1.198 ( 3.485 -0.379 3.937) 5.272 1.244 ( -4.170 -0.370 3.256) 5.304 1.366 ( 0.200 -1.197 0.035) 1.214 1.382 ( 2.443 -2.027 -0.319) 3.191 1.478 ( 3.940 -0.773 -3.710) 5.467 1.549 ( 0.352 0.754 -1.137) 1.409 1.605 ( -2.911 0.626 -0.477) 3.015 1.647 ( -0.002 -2.733 0.957) 2.896 1.690 ( -1.876 0.508 1.807) 2.654 1.709 ( 2.129 -0.599 5.808) 6.215 1.841 ( -0.034 -0.541 6.275) 6.298 1.897 ( 5.285 2.377 -2.699) 6.393 1.918 ( 3.353 1.328 1.716) 3.994 1.937 ( 6.332 -0.988 2.292) 6.806 2.035 ( 0.228 -2.169 -3.255) 3.918 2.160 ( 3.871 -0.605 2.616) 4.712 2.508 ( 0.867 2.126 -5.260) 5.739 2.559 ( 1.238 0.891 0.144) 1.532 2.711 ( -0.536 0.135 1.177) 1.301 2.730 ( 4.251 -0.580 -0.732) 4.352 2.858 ( 2.408 -0.562 -2.539) 3.544 2.882 ( 1.377 -0.034 1.087) 1.755 3.032 ( -3.136 0.121 1.290) 3.393 3.072 ( -2.469 -0.414 3.406) 4.228 3.722 ( -5.860 0.102 3.790) 6.979 3.759 ( 5.343 0.398 -8.005) 9.633 4.497 ( -7.309 1.556 4.806) 8.885 4.514 ( 1.903 0.248 -6.548) 6.824 5.042 ( 3.008 -0.517 -5.784) 6.540 5.104 ( 3.987 0.350 -1.617) 4.317 5.321 ( 1.035 0.721 -2.973) 3.230 5.348 ( -7.921 1.080 9.647) 12.529 6.034 ( -3.912 0.348 4.898) 6.278 6.051 ( 4.355 -0.782 -4.957) 6.644 6.231 ( -10.404 -0.656 8.845) 13.671 6.309 ( 8.330 -0.421 -12.273) 14.839 6.605 ( -6.012 -1.275 -2.290) 6.559 6.746 ( -3.839 -0.480 2.553) 4.635 7.726 ( -5.724 2.486 5.167) 8.102 7.780 ( 4.403 -1.193 -3.959) 6.041 7.992 ( -2.166 0.295 -3.703) 4.300 8.021 ( -1.279 -2.652 -2.198) 3.674 8.289 ( -0.276 1.487 0.731) 1.680 8.548 ( 5.945 2.054 1.079) 6.382 8.769 ( -3.477 -0.084 6.152) 7.067 9.030 ( 10.792 0.107 -3.364) 11.305 9.258 ( 2.928 0.036 -3.548) 4.601 9.410 ( 3.249 1.707 10.376) 11.006 9.917 ( 4.830 -1.495 -12.492) 13.476 10.041 ( -6.541 -1.000 12.703) 14.323 11.355 ( -14.382 -0.046 12.450) 19.022 11.455 ( 10.090 0.425 -12.084) 15.749 14.023 ( -0.693 0.617 1.446) 1.718 14.034 ( 1.339 -0.017 -0.793) 1.556 14.318 ( -5.227 -3.091 1.965) 6.382 14.475 ( 6.147 -0.170 -0.707) 6.190 16.100 ( -1.786 -0.277 1.581) 2.402 16.108 ( 1.939 -0.383 -2.571) 3.243 16.904 ( -3.479 0.037 3.967) 5.276 16.913 ( 3.181 -1.041 -4.830) 5.877 18.035 ( -3.386 3.133 2.171) 5.098 18.073 ( 3.242 -0.179 -4.060) 5.198 21.735 ( 1.333 0.337 -2.143) 2.546 21.785 ( 2.515 -0.518 1.193) 2.832 22.880 ( -1.490 -0.240 0.886) 1.750 22.967 ( 0.889 0.128 4.093) 4.190 23.168 ( 1.128 -0.385 -7.236) 7.334 23.260 ( -1.925 0.013 5.195) 5.540 23.715 ( -2.148 -0.073 0.377) 2.182 23.773 ( 1.652 0.479 -0.119) 1.724 24.729 ( -10.970 0.366 8.472) 13.865 24.911 ( 10.260 5.443 -5.377) 12.799 25.081 ( -1.546 -0.291 -1.484) 2.162 25.128 ( -0.186 -4.802 0.916) 4.892 25.553 ( -0.715 0.900 -0.772) 1.385 25.560 ( -0.061 -1.105 -1.630) 1.970 ======================= Grid point 209 (103/116) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -1.406 -0.487 -2.153) 2.617 1.075 ( 3.400 -4.143 -5.047) 7.362 1.254 ( -2.185 -1.386 4.134) 4.877 1.279 ( 2.829 -1.924 5.686) 6.636 1.365 ( -0.977 -1.938 -1.575) 2.682 1.450 ( 2.450 0.380 1.286) 2.793 1.499 ( 1.199 0.667 -1.469) 2.010 1.577 ( 3.117 -2.530 0.876) 4.109 1.589 ( 0.952 -2.569 0.451) 2.777 1.660 ( -3.062 1.147 3.039) 4.464 1.695 ( -0.160 -2.923 1.532) 3.304 1.801 ( 1.342 0.816 3.700) 4.020 1.891 ( -0.400 1.520 -2.018) 2.558 1.917 ( 1.214 2.069 0.440) 2.439 1.949 ( 3.861 0.511 2.946) 4.884 2.037 ( 2.854 -1.484 -0.143) 3.220 2.072 ( 4.217 -2.968 -1.169) 5.288 2.219 ( 0.668 2.484 1.202) 2.839 2.452 ( -1.150 0.366 -1.714) 2.096 2.552 ( 3.106 2.642 -5.521) 6.863 2.729 ( 1.804 1.026 1.494) 2.557 2.823 ( 4.922 -0.268 1.686) 5.210 2.891 ( 4.892 -2.315 -3.503) 6.447 2.942 ( 5.744 0.832 1.857) 6.094 3.002 ( -0.902 0.256 -0.033) 0.938 3.077 ( -4.294 -0.729 6.599) 7.907 3.678 ( -5.912 -0.637 4.320) 7.349 3.737 ( 5.675 1.328 -9.212) 10.901 4.414 ( -5.124 1.573 0.557) 5.389 4.453 ( -2.396 0.097 -2.886) 3.752 5.046 ( 6.233 -1.566 -7.135) 9.603 5.150 ( 5.959 1.304 -2.232) 6.495 5.293 ( -5.099 1.357 3.912) 6.568 5.312 ( -5.900 0.119 4.550) 7.451 6.010 ( -4.977 2.082 3.594) 6.482 6.069 ( 3.133 -1.644 -3.782) 5.179 6.176 ( -10.196 -1.251 7.320) 12.614 6.230 ( 1.092 -0.557 -13.643) 13.698 6.555 ( -1.439 -1.915 0.692) 2.493 6.678 ( -6.002 0.065 -0.008) 6.002 7.693 ( -2.358 1.972 3.971) 5.022 7.811 ( 3.096 -1.460 -3.106) 4.622 7.924 ( -1.026 0.948 -2.492) 2.857 8.028 ( -0.231 -3.115 0.533) 3.169 8.285 ( -1.188 2.462 1.699) 3.218 8.493 ( -1.289 2.113 -5.170) 5.732 8.930 ( 5.992 -0.601 9.315) 11.092 9.116 ( 5.174 0.343 -1.991) 5.555 9.304 ( 7.644 -0.082 -2.411) 8.016 9.543 ( -0.099 3.372 9.649) 10.222 9.899 ( 10.725 -1.730 -12.286) 16.400 10.084 ( -8.869 -2.092 13.106) 15.962 11.282 ( -13.431 -0.091 12.119) 18.091 11.436 ( 6.574 1.619 -12.257) 14.003 14.024 ( -0.374 1.051 1.502) 1.871 14.043 ( 1.033 -0.174 -0.948) 1.413 14.327 ( -4.154 -6.559 4.604) 9.026 14.530 ( 4.532 1.953 -2.923) 5.736 16.093 ( -1.137 -0.353 0.813) 1.442 16.113 ( 1.436 -0.612 -1.904) 2.462 16.903 ( -1.830 0.550 3.718) 4.180 16.917 ( 2.413 -2.238 -4.323) 5.433 17.976 ( -1.712 4.314 0.339) 4.654 18.077 ( 2.151 -0.705 -3.047) 3.795 21.729 ( 1.584 0.632 -2.100) 2.706 21.850 ( 3.376 -0.920 1.023) 3.646 22.896 ( -0.562 -0.472 4.279) 4.342 23.021 ( -0.059 0.298 4.725) 4.734 23.103 ( 0.508 -0.847 -7.302) 7.369 23.279 ( -1.438 0.403 2.965) 3.319 23.698 ( -1.454 -0.629 1.099) 1.928 23.778 ( 0.575 1.300 -0.863) 1.663 24.683 ( -8.967 -1.226 9.353) 13.014 24.888 ( 4.107 9.763 -6.008) 12.177 25.049 ( -0.449 -1.173 -2.008) 2.369 25.170 ( -1.119 -4.015 0.033) 4.168 25.524 ( 0.413 2.065 -1.378) 2.517 25.570 ( 0.994 -4.233 -1.205) 4.512 ======================= Grid point 210 (104/116) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -0.449 -0.086 -1.454) 1.524 1.111 ( 1.310 -1.801 -0.318) 2.249 1.272 ( -0.049 -1.013 0.844) 1.319 1.334 ( -0.992 0.033 -1.821) 2.074 1.439 ( 3.653 -2.513 4.507) 6.322 1.472 ( 0.856 1.056 0.254) 1.383 1.506 ( 3.248 -1.848 -1.139) 3.906 1.597 ( -3.627 1.552 3.221) 5.093 1.672 ( 0.071 -1.280 1.124) 1.705 1.685 ( 1.288 -2.195 3.292) 4.161 1.691 ( -0.372 -0.066 -1.786) 1.826 1.801 ( 0.023 -1.368 -3.073) 3.364 1.840 ( -2.235 2.142 0.490) 3.134 1.926 ( 1.650 2.135 0.256) 2.710 2.021 ( 0.827 -0.238 4.110) 4.199 2.069 ( 1.610 -1.047 -3.118) 3.662 2.129 ( 2.678 -2.505 -3.531) 5.090 2.189 ( -1.556 3.572 2.473) 4.614 2.437 ( -3.387 -1.111 4.619) 5.834 2.495 ( 2.853 2.119 -7.545) 8.340 2.762 ( 2.449 0.918 -0.303) 2.633 2.852 ( -0.941 0.657 0.576) 1.284 2.949 ( 2.015 -2.352 -0.954) 3.241 2.980 ( -2.131 1.050 2.961) 3.796 3.079 ( 9.310 0.497 -3.018) 9.800 3.116 ( -1.590 -1.061 5.271) 5.606 3.663 ( -4.164 -1.516 4.674) 6.441 3.706 ( 4.217 2.026 -6.594) 8.085 4.356 ( -2.200 0.281 0.517) 2.277 4.394 ( -1.402 0.094 -1.547) 2.090 5.094 ( 7.121 -2.141 -5.529) 9.267 5.183 ( -1.616 3.058 2.579) 4.314 5.247 ( -1.395 -0.238 0.915) 1.685 5.284 ( -3.042 -0.496 1.559) 3.454 5.940 ( -4.587 1.629 2.022) 5.271 6.071 ( 1.051 -2.300 -5.985) 6.497 6.109 ( -2.995 0.801 1.220) 3.332 6.146 ( -1.478 -0.439 -0.478) 1.614 6.573 ( 0.760 -1.085 0.073) 1.327 6.608 ( -2.595 0.328 -0.064) 2.617 7.703 ( -0.321 0.351 2.105) 2.158 7.822 ( 1.010 -0.423 -1.541) 1.890 7.892 ( -0.127 0.476 -0.729) 0.880 8.057 ( -0.008 -1.384 0.811) 1.604 8.252 ( -1.172 1.639 0.146) 2.020 8.430 ( -0.040 0.552 -2.196) 2.265 9.075 ( 1.544 -0.866 4.512) 4.847 9.144 ( 1.620 0.615 -1.041) 2.022 9.419 ( 11.278 0.318 -3.187) 11.724 9.533 ( -8.629 0.824 4.913) 9.964 9.978 ( 11.082 1.137 -6.819) 13.061 10.098 ( -7.986 -2.329 8.589) 11.957 11.244 ( -7.266 -0.248 8.652) 11.302 11.367 ( 3.481 1.405 -9.145) 9.885 14.030 ( -0.108 0.534 1.160) 1.282 14.044 ( 0.408 -0.203 -0.954) 1.057 14.382 ( -2.725 -4.949 4.166) 7.019 14.519 ( 2.510 2.824 -3.487) 5.142 16.091 ( -0.346 -0.158 0.261) 0.462 16.117 ( 0.520 -0.313 -0.658) 0.895 16.919 ( -1.320 2.176 4.643) 5.295 16.923 ( 1.937 -3.101 -4.574) 5.856 17.935 ( -0.270 1.970 -0.037) 1.988 18.079 ( 0.766 -0.427 -1.310) 1.576 21.725 ( 0.670 0.310 -0.887) 1.154 21.905 ( 1.588 -0.462 0.437) 1.711 22.957 ( 0.336 -0.006 5.885) 5.894 23.033 ( -0.389 -0.759 -5.856) 5.918 23.064 ( 0.040 0.019 2.001) 2.001 23.278 ( -0.568 0.443 0.587) 0.929 23.709 ( -0.323 -1.339 1.913) 2.357 23.749 ( -0.288 1.780 -1.948) 2.655 24.691 ( -6.003 -3.117 8.583) 10.928 24.781 ( 2.968 6.770 -7.736) 10.700 25.039 ( 0.210 -0.406 -0.831) 0.949 25.166 ( -1.017 -1.185 -0.491) 1.637 25.505 ( 0.446 1.015 -0.723) 1.323 25.614 ( 0.880 -2.404 0.017) 2.560 ======================= Grid point 215 (105/116) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 0.436 -0.000 -3.281) 3.310 1.039 ( 5.249 -0.000 -5.568) 7.652 1.242 ( -4.173 0.000 10.501) 11.300 1.257 ( 2.351 -0.000 -1.497) 2.787 1.351 ( 0.694 -0.000 -0.013) 0.694 1.456 ( 3.946 -0.000 2.637) 4.746 1.514 ( 4.160 -0.000 -1.391) 4.387 1.534 ( -1.123 0.000 -0.674) 1.310 1.591 ( 1.844 -0.000 -0.082) 1.846 1.654 ( -0.354 0.000 2.706) 2.729 1.669 ( -3.428 0.000 3.309) 4.765 1.811 ( 2.040 -0.000 3.907) 4.408 1.902 ( -1.242 0.000 -5.312) 5.455 1.930 ( 1.053 -0.000 7.606) 7.679 1.971 ( 5.182 -0.000 -0.904) 5.260 2.028 ( 3.651 -0.000 -2.034) 4.179 2.030 ( 2.303 -0.000 0.490) 2.355 2.241 ( 1.783 -0.000 2.347) 2.947 2.455 ( -1.538 0.000 -3.314) 3.654 2.576 ( 2.375 -0.000 -5.146) 5.668 2.740 ( 1.764 -0.000 3.345) 3.781 2.816 ( 6.448 -0.000 -0.031) 6.448 2.870 ( 4.076 -0.000 -3.515) 5.382 2.951 ( 7.186 -0.000 0.977) 7.252 3.005 ( -2.215 0.000 0.926) 2.400 3.070 ( -4.080 0.000 6.011) 7.265 3.673 ( -6.016 0.000 3.833) 7.133 3.749 ( 5.553 -0.000 -8.233) 9.931 4.439 ( -10.674 0.000 7.495) 13.042 4.443 ( 1.758 -0.000 -9.396) 9.559 5.031 ( 6.042 -0.000 -7.446) 9.589 5.161 ( 6.691 -0.000 -2.556) 7.162 5.305 ( -1.124 0.000 -0.399) 1.193 5.314 ( -10.909 0.000 8.740) 13.978 6.037 ( -3.988 0.000 5.339) 6.664 6.042 ( 3.357 -0.000 -6.857) 7.634 6.168 ( -11.841 0.000 9.909) 15.440 6.227 ( 1.997 -0.000 -14.252) 14.392 6.536 ( -0.590 0.000 0.148) 0.608 6.678 ( -6.077 0.000 0.475) 6.096 7.719 ( -4.330 0.000 5.013) 6.624 7.783 ( 4.222 -0.000 -5.479) 6.917 7.968 ( -0.384 0.000 0.004) 0.384 7.971 ( -0.172 0.000 -0.241) 0.296 8.310 ( -0.932 0.000 2.190) 2.380 8.509 ( -2.009 0.000 -7.053) 7.333 8.925 ( 5.968 -0.000 9.113) 10.893 9.119 ( 5.569 -0.000 -2.134) 5.964 9.303 ( 7.630 -0.000 -2.092) 7.912 9.572 ( -2.261 0.000 10.242) 10.489 9.885 ( 13.037 -0.000 -12.164) 17.831 10.066 ( -9.292 0.000 13.220) 16.159 11.282 ( -14.748 0.000 14.049) 20.369 11.450 ( 7.086 -0.000 -12.505) 14.373 14.039 ( -0.445 0.000 1.953) 2.003 14.040 ( 1.110 -0.000 -1.296) 1.706 14.263 ( -3.393 0.000 2.822) 4.414 14.547 ( 5.659 -0.000 -2.890) 6.354 16.091 ( -1.847 0.000 2.102) 2.798 16.106 ( 2.375 -0.000 -3.156) 3.950 16.893 ( 2.500 -0.000 -5.147) 5.722 16.913 ( -2.091 0.000 5.185) 5.591 18.039 ( -4.057 0.000 5.024) 6.458 18.046 ( 3.576 -0.000 -8.215) 8.960 21.735 ( 2.772 -0.000 -3.835) 4.732 21.841 ( 1.755 -0.000 3.395) 3.822 22.892 ( -0.421 0.000 4.265) 4.286 23.024 ( -0.059 0.000 4.646) 4.646 23.096 ( 0.813 -0.000 -7.753) 7.796 23.283 ( -1.941 0.000 3.833) 4.297 23.692 ( -1.615 0.000 0.966) 1.882 23.790 ( 0.556 -0.000 -0.505) 0.750 24.672 ( -9.637 0.000 9.095) 13.251 25.029 ( 6.623 -0.000 -3.837) 7.655 25.040 ( -3.323 0.000 -1.099) 3.500 25.081 ( -1.689 0.000 0.470) 1.753 25.521 ( -0.621 0.000 -2.898) 2.964 25.551 ( 3.510 -0.000 -2.818) 4.501 ======================= Grid point 216 (106/116) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 0.885 -0.240 -3.483) 3.602 1.099 ( 5.100 0.071 0.156) 5.103 1.265 ( 2.646 0.601 -1.513) 3.106 1.312 ( 2.255 -2.543 -1.796) 3.844 1.410 ( 2.016 -0.565 6.420) 6.753 1.497 ( 0.128 0.459 -2.127) 2.180 1.515 ( 2.284 3.581 2.132) 4.752 1.595 ( 2.539 -5.104 1.232) 5.832 1.626 ( 1.290 1.768 1.662) 2.748 1.673 ( -4.266 -1.169 7.240) 8.484 1.688 ( 1.591 -0.155 1.072) 1.924 1.785 ( -2.561 -0.653 -7.025) 7.506 1.870 ( 0.729 1.389 2.423) 2.886 1.988 ( 0.734 4.014 0.339) 4.095 2.021 ( -0.019 0.315 0.745) 0.809 2.036 ( 1.946 -1.939 -0.156) 2.751 2.075 ( 2.806 -3.587 -3.394) 5.680 2.240 ( -3.140 1.838 1.432) 3.910 2.419 ( -3.698 -0.769 3.892) 5.424 2.523 ( 2.056 0.946 -7.987) 8.301 2.792 ( 3.089 2.394 -0.203) 3.913 2.864 ( -2.314 -0.443 1.441) 2.761 2.897 ( 4.517 -2.081 -4.100) 6.446 2.986 ( -2.272 -0.246 1.983) 3.026 3.089 ( 6.057 0.633 -0.125) 6.091 3.101 ( 2.148 -0.817 2.626) 3.490 3.643 ( -6.023 -0.625 6.763) 9.078 3.741 ( 4.970 1.448 -6.702) 8.468 4.366 ( -5.014 0.938 3.198) 6.021 4.387 ( -0.827 -0.831 -2.555) 2.811 5.060 ( 7.382 -1.351 -6.316) 9.809 5.221 ( -7.249 1.132 5.863) 9.391 5.247 ( 3.361 0.312 -1.817) 3.834 5.279 ( -2.188 -0.237 0.280) 2.218 5.962 ( 1.056 0.812 -10.003) 10.091 6.041 ( -4.079 -1.058 5.436) 6.878 6.115 ( -8.462 0.101 8.693) 12.132 6.147 ( 3.277 0.239 -5.780) 6.649 6.556 ( 2.205 -0.660 -0.422) 2.339 6.612 ( -2.717 0.110 0.113) 2.722 7.717 ( -1.512 1.125 3.222) 3.733 7.781 ( 1.941 -2.494 -5.086) 5.988 7.947 ( -0.016 4.258 2.038) 4.721 8.015 ( 0.159 -3.496 2.047) 4.055 8.296 ( -2.046 2.696 1.203) 3.591 8.414 ( -0.196 -1.753 -6.655) 6.885 9.065 ( 1.958 -0.298 5.103) 5.474 9.151 ( 2.137 0.243 -2.332) 3.172 9.423 ( 10.606 0.138 -2.649) 10.932 9.536 ( -10.002 -0.196 3.389) 10.562 10.013 ( 9.975 2.606 -2.972) 10.729 10.061 ( -6.040 -2.248 8.175) 10.410 11.247 ( -11.933 0.281 15.909) 19.889 11.386 ( 5.290 0.678 -14.061) 15.038 14.036 ( 0.664 0.093 -1.592) 1.727 14.049 ( -0.428 0.652 1.522) 1.710 14.288 ( -1.047 -4.088 4.254) 5.992 14.569 ( 5.303 1.887 -6.339) 8.477 16.092 ( -1.190 0.263 2.252) 2.560 16.110 ( 1.997 -0.430 -2.337) 3.104 16.877 ( 1.739 -1.543 -4.273) 4.865 16.953 ( -1.436 1.167 6.776) 7.024 17.979 ( 1.138 2.749 -5.732) 6.458 18.055 ( -2.075 -2.038 2.764) 4.012 21.730 ( 2.301 0.176 -3.758) 4.410 21.898 ( -1.278 -0.274 5.224) 5.385 22.958 ( 1.047 0.016 5.990) 6.081 23.024 ( 0.696 -0.263 -7.047) 7.086 23.064 ( -0.698 -0.068 3.021) 3.101 23.284 ( -1.887 0.179 1.644) 2.509 23.693 ( -0.625 -0.541 1.856) 2.032 23.774 ( -0.621 0.873 -1.589) 1.916 24.650 ( -8.022 -1.335 9.632) 12.606 24.904 ( -2.450 5.894 -6.567) 9.158 25.047 ( 1.299 1.899 -0.025) 2.301 25.117 ( 0.842 -4.599 -0.566) 4.710 25.482 ( -2.546 -1.977 -1.204) 3.441 25.607 ( 8.108 0.517 -3.462) 8.831 ======================= Grid point 217 (107/116) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 2.103 -0.028 -0.146) 2.109 1.148 ( 0.855 1.897 1.714) 2.696 1.287 ( 2.454 1.177 -1.804) 3.266 1.338 ( 5.010 0.537 -2.531) 5.638 1.456 ( -0.091 0.469 -1.990) 2.046 1.483 ( -0.338 0.682 -0.346) 0.836 1.561 ( -3.435 3.099 2.620) 5.317 1.575 ( 1.115 0.669 -2.466) 2.788 1.658 ( 0.036 -1.746 1.544) 2.331 1.682 ( 1.985 -1.108 -1.533) 2.742 1.707 ( -1.239 -0.815 -0.228) 1.500 1.798 ( 1.648 -1.711 5.994) 6.447 1.855 ( -1.990 4.786 0.910) 5.262 1.933 ( 0.331 2.184 -4.668) 5.164 2.024 ( -0.308 -0.158 -4.267) 4.281 2.057 ( -0.751 -2.084 2.676) 3.474 2.105 ( 1.076 -4.221 -0.782) 4.426 2.180 ( -4.819 1.403 1.753) 5.316 2.442 ( -1.799 -0.891 4.633) 5.049 2.472 ( 0.694 0.006 -2.456) 2.552 2.762 ( -4.072 0.847 -0.094) 4.160 2.853 ( 2.102 0.413 -2.366) 3.192 2.934 ( 2.185 -2.616 -2.620) 4.299 2.978 ( -0.822 0.011 0.128) 0.832 3.072 ( -8.146 -0.383 2.686) 8.586 3.134 ( 2.354 0.897 -5.814) 6.337 3.658 ( -5.659 -1.265 9.953) 11.519 3.716 ( 3.422 2.185 -5.757) 7.045 4.356 ( -0.391 0.350 2.597) 2.649 4.386 ( 1.412 -0.766 0.430) 1.663 5.110 ( 0.845 -0.848 -0.785) 1.432 5.142 ( -7.102 -0.829 4.650) 8.529 5.248 ( 0.040 -0.107 -1.072) 1.078 5.299 ( 5.438 1.129 -3.848) 6.756 5.915 ( 7.876 -1.145 -9.364) 12.290 6.092 ( -1.250 -0.973 5.036) 5.279 6.109 ( -4.023 1.985 12.653) 13.425 6.159 ( 5.344 0.882 -3.250) 6.316 6.587 ( 0.701 0.580 -0.085) 0.914 6.601 ( 2.542 -0.434 -0.201) 2.587 7.706 ( 0.385 0.689 -3.105) 3.204 7.783 ( -0.839 -3.236 0.241) 3.352 7.939 ( -0.210 4.032 3.205) 5.155 8.058 ( 0.316 -1.152 1.050) 1.590 8.255 ( 0.046 2.105 -0.684) 2.213 8.392 ( -0.158 -3.791 -1.464) 4.067 9.093 ( -1.100 1.237 -3.572) 3.937 9.132 ( -1.011 -0.874 -0.713) 1.514 9.410 ( -11.343 -0.840 3.133) 11.798 9.512 ( 5.574 -1.247 -5.411) 7.868 9.977 ( -12.323 0.663 10.946) 16.496 10.137 ( 10.841 2.082 -9.369) 14.479 11.261 ( 0.135 1.704 2.160) 2.754 11.341 ( 0.240 -1.733 0.672) 1.874 14.024 ( 0.401 -0.163 -1.954) 2.002 14.052 ( -0.683 0.586 1.339) 1.613 14.373 ( 0.919 -4.056 3.803) 5.636 14.541 ( 4.582 3.682 -7.287) 9.362 16.098 ( -0.007 0.670 0.999) 1.203 16.119 ( 0.610 -0.186 -0.274) 0.694 16.875 ( 1.843 -2.184 -3.648) 4.634 16.982 ( -2.892 3.009 6.782) 7.963 17.920 ( 0.982 0.064 -4.908) 5.006 18.070 ( -3.161 -1.264 4.068) 5.304 21.721 ( 1.055 -0.182 -2.150) 2.401 21.911 ( -4.828 0.236 4.991) 6.948 22.959 ( 0.718 0.110 -6.065) 6.108 23.046 ( 1.660 0.714 5.079) 5.391 23.062 ( -0.812 -0.196 -1.208) 1.469 23.271 ( -1.372 -0.394 0.929) 1.703 23.720 ( 0.036 -1.067 1.998) 2.265 23.735 ( -0.283 1.046 -1.721) 2.034 24.674 ( -5.926 -3.573 9.473) 11.731 24.772 ( 2.640 3.687 -8.964) 10.046 25.056 ( 0.580 1.647 1.845) 2.540 25.162 ( 2.009 -1.451 0.536) 2.536 25.458 ( -2.789 -3.344 0.458) 4.378 25.665 ( 5.882 2.675 -3.624) 7.409 ======================= Grid point 218 (108/116) ======================= q-point: (-0.43 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 3.532 0.962 1.692) 4.033 1.152 ( 0.018 3.753 3.105) 4.871 1.278 ( -0.286 1.549 -1.213) 1.988 1.315 ( -0.065 2.942 -9.208) 9.666 1.421 ( 0.956 4.348 2.848) 5.284 1.446 ( -1.398 0.140 -0.020) 1.406 1.506 ( -0.630 1.040 0.492) 1.311 1.605 ( -2.223 1.541 -0.022) 2.705 1.631 ( 1.892 -2.284 -1.522) 3.334 1.668 ( -2.719 4.384 -0.928) 5.241 1.721 ( 1.060 0.881 -1.823) 2.285 1.796 ( -0.346 -0.101 -0.712) 0.798 1.853 ( -3.010 -1.398 -3.119) 4.554 1.895 ( 1.113 -0.374 2.055) 2.367 1.958 ( -2.335 0.965 -3.682) 4.466 2.050 ( -3.925 -0.566 -0.020) 3.965 2.111 ( -2.402 0.706 -0.903) 2.662 2.171 ( -0.046 -2.287 2.710) 3.547 2.448 ( 0.798 0.127 -0.592) 1.002 2.501 ( -4.178 -3.094 6.379) 8.229 2.708 ( -2.686 -1.481 -0.128) 3.070 2.827 ( -2.488 0.475 -2.589) 3.622 2.912 ( -5.656 -0.579 0.201) 5.689 2.943 ( -3.443 1.286 0.307) 3.688 2.998 ( -0.950 -0.150 1.174) 1.518 3.088 ( 4.743 0.514 -7.970) 9.289 3.693 ( 4.102 0.901 -3.290) 5.335 3.713 ( -4.949 -1.220 9.150) 10.473 4.395 ( 3.735 -0.693 -0.466) 3.827 4.439 ( 0.819 -1.424 3.528) 3.892 5.073 ( -6.997 1.411 7.290) 10.203 5.123 ( -4.018 -1.772 1.407) 4.611 5.266 ( 5.555 -1.631 -5.448) 7.950 5.313 ( 3.249 0.302 -3.513) 4.794 5.974 ( 7.787 -1.998 -6.065) 10.070 6.084 ( -4.184 0.077 3.864) 5.696 6.209 ( 8.781 2.304 -4.244) 10.022 6.253 ( -0.096 2.155 14.280) 14.443 6.588 ( 2.658 1.701 -1.308) 3.416 6.675 ( 6.006 -0.310 0.663) 6.050 7.667 ( 1.882 -1.051 -5.624) 6.022 7.801 ( -2.928 -1.821 3.301) 4.774 7.952 ( 0.865 3.259 4.230) 5.410 8.066 ( 0.698 1.422 -0.141) 1.590 8.251 ( 1.084 -0.909 -1.761) 2.259 8.436 ( 0.358 -4.582 2.635) 5.297 8.942 ( -6.104 0.761 -9.724) 11.506 9.110 ( -4.393 -0.336 1.701) 4.723 9.305 ( -7.492 -0.119 2.709) 7.968 9.472 ( -3.398 -4.470 -7.955) 9.737 9.939 ( -7.671 2.730 12.071) 14.560 10.128 ( 8.382 2.864 -12.927) 15.671 11.290 ( 10.777 0.977 -8.682) 13.873 11.402 ( -5.650 -2.211 11.816) 13.283 14.012 ( 0.550 -0.421 -1.730) 1.863 14.047 ( -1.220 0.271 0.957) 1.574 14.427 ( 3.725 3.001 -3.028) 5.662 14.503 ( 0.016 0.496 -1.221) 1.318 16.104 ( 0.674 0.819 0.220) 1.083 16.122 ( -0.441 0.447 0.897) 1.096 16.886 ( 3.049 -1.189 -3.512) 4.800 16.970 ( -4.028 3.552 5.750) 7.868 17.912 ( 2.072 -3.089 -2.647) 4.566 18.069 ( -4.493 -1.427 4.030) 6.202 21.719 ( 0.225 -0.555 -0.446) 0.746 21.866 ( -6.132 0.866 2.956) 6.862 22.907 ( 0.990 0.775 -4.358) 4.535 23.015 ( -0.230 -0.509 -4.810) 4.842 23.121 ( 0.684 1.139 5.775) 5.926 23.270 ( -0.099 -0.616 -0.426) 0.756 23.711 ( 1.018 0.867 -1.381) 1.922 23.753 ( -0.584 -1.507 1.545) 2.236 24.706 ( 5.944 0.888 -7.866) 9.899 24.751 ( -4.873 -5.890 7.332) 10.593 25.078 ( 1.045 2.375 2.985) 3.955 25.204 ( 1.495 0.563 0.865) 1.817 25.472 ( -0.669 -3.661 1.486) 4.007 25.650 ( 1.979 4.485 -3.654) 6.114 ======================= Grid point 219 (109/116) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 6.306 3.253 -0.204) 7.098 1.143 ( -2.932 5.867 5.682) 8.678 1.201 ( -1.879 -0.419 -1.938) 2.731 1.262 ( 2.560 2.166 -3.890) 5.136 1.390 ( -2.216 1.428 -0.005) 2.636 1.446 ( 1.051 4.942 0.534) 5.081 1.494 ( -2.924 0.465 2.069) 3.612 1.548 ( -1.696 1.544 -0.985) 2.497 1.613 ( 0.440 1.316 1.603) 2.120 1.664 ( 1.242 -0.689 -1.727) 2.237 1.695 ( -0.718 0.534 -1.987) 2.179 1.728 ( 0.300 1.993 -3.722) 4.232 1.843 ( -3.008 -3.178 2.848) 5.221 1.859 ( -2.450 1.170 -3.562) 4.479 1.892 ( -2.312 -1.435 -3.588) 4.503 1.954 ( -5.616 0.876 -2.699) 6.292 2.083 ( -0.073 3.000 2.219) 3.732 2.173 ( -2.592 0.652 -0.679) 2.757 2.463 ( -1.024 -2.489 3.211) 4.189 2.527 ( -1.116 -2.511 0.837) 2.872 2.702 ( -1.770 -1.035 2.192) 3.002 2.744 ( -3.064 0.729 -1.008) 3.307 2.864 ( -1.648 0.005 1.038) 1.948 2.894 ( -1.139 1.433 -1.069) 2.120 3.029 ( 1.948 -0.202 1.035) 2.215 3.081 ( 3.542 0.453 -4.985) 6.132 3.720 ( 6.205 -0.116 -5.157) 8.069 3.748 ( -6.061 -0.928 9.402) 11.225 4.463 ( 5.471 -2.286 -2.582) 6.467 4.495 ( -1.545 -1.929 4.484) 5.120 5.056 ( -3.629 1.004 5.519) 6.681 5.094 ( -3.283 -0.768 1.590) 3.728 5.299 ( 1.275 -1.831 -0.603) 2.311 5.322 ( 4.565 -1.663 -6.337) 7.985 6.020 ( 4.893 -1.289 -4.754) 6.943 6.062 ( -4.444 0.160 4.003) 5.983 6.260 ( 9.261 2.760 -6.921) 11.886 6.330 ( -7.156 2.287 11.647) 13.860 6.638 ( 6.821 2.284 0.810) 7.239 6.758 ( 3.798 0.839 -0.944) 4.002 7.681 ( 6.278 -2.507 -5.358) 8.626 7.786 ( -5.925 -0.493 4.349) 7.366 8.012 ( 3.060 2.283 4.466) 5.875 8.071 ( 1.576 3.168 1.808) 3.973 8.248 ( -0.011 -2.869 -1.647) 3.308 8.487 ( -4.878 -4.854 -0.975) 6.950 8.773 ( 2.113 0.424 -6.881) 7.211 9.026 ( -11.292 -0.342 3.273) 11.762 9.255 ( -2.690 -0.394 2.155) 3.469 9.359 ( -3.265 -3.986 -7.753) 9.310 9.960 ( -4.750 3.252 11.947) 13.261 10.072 ( 6.692 2.513 -12.830) 14.687 11.358 ( 12.620 0.333 -10.196) 16.227 11.442 ( -8.680 -1.059 11.521) 14.464 14.011 ( 0.983 -0.616 -1.232) 1.692 14.034 ( -1.540 -0.002 0.680) 1.683 14.399 ( 4.884 5.666 -4.391) 8.674 14.480 ( -4.158 0.379 1.561) 4.458 16.109 ( 1.090 0.775 -0.512) 1.432 16.119 ( -1.076 0.756 1.429) 1.942 16.905 ( 4.552 0.157 -4.179) 6.181 16.942 ( -4.519 2.396 5.405) 7.442 17.967 ( 3.851 -4.503 -1.710) 6.167 18.054 ( -4.816 -2.236 3.278) 6.241 21.727 ( 0.444 -0.448 0.401) 0.747 21.797 ( -4.581 0.837 0.933) 4.749 22.887 ( 1.502 0.648 -1.232) 2.048 22.963 ( -0.762 -0.396 -3.896) 3.989 23.179 ( -0.398 0.905 5.886) 5.968 23.260 ( 1.000 -0.055 -3.341) 3.488 23.717 ( 1.864 0.190 -0.741) 2.015 23.760 ( -1.555 -1.026 0.668) 1.979 24.719 ( 9.341 -0.726 -9.529) 13.363 24.799 ( -8.348 -6.611 8.223) 13.454 25.112 ( 1.711 2.910 3.019) 4.529 25.199 ( -0.363 3.125 -0.795) 3.245 25.523 ( 1.572 -2.462 1.045) 3.102 25.594 ( -0.575 2.688 -1.596) 3.178 ======================= Grid point 220 (110/116) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -5.912 4.082 -2.121) 7.491 1.048 ( 5.912 4.082 2.121) 7.491 1.224 ( -3.179 0.684 -2.572) 4.147 1.224 ( 3.179 0.684 2.572) 4.147 1.381 ( -0.059 2.866 -3.286) 4.360 1.381 ( 0.059 2.866 3.286) 4.360 1.514 ( -1.987 -0.897 -2.614) 3.404 1.514 ( 1.987 -0.897 2.614) 3.404 1.622 ( 0.324 0.361 -2.213) 2.265 1.622 ( -0.324 0.361 2.213) 2.265 1.717 ( -0.112 2.058 -3.437) 4.007 1.717 ( 0.112 2.058 3.437) 4.007 1.804 ( 2.570 0.066 -2.547) 3.619 1.804 ( -2.570 0.066 2.547) 3.619 1.875 ( 0.839 -1.039 -4.254) 4.459 1.875 ( -0.839 -1.039 4.254) 4.459 2.101 ( -1.780 2.326 -2.639) 3.942 2.101 ( 1.780 2.326 2.639) 3.942 2.522 ( -0.006 -2.620 -2.702) 3.764 2.522 ( 0.006 -2.620 2.702) 3.764 2.712 ( 1.020 0.230 -2.586) 2.789 2.712 ( -1.020 0.230 2.586) 2.789 2.864 ( 0.636 0.542 -1.837) 2.018 2.864 ( -0.636 0.542 1.837) 2.018 3.063 ( 0.948 0.327 -2.792) 2.966 3.063 ( -0.948 0.327 2.792) 2.966 3.752 ( 5.851 -0.536 -6.190) 8.534 3.752 ( -5.851 -0.536 6.190) 8.534 4.518 ( 8.026 -1.964 -10.044) 13.006 4.518 ( -8.026 -1.964 10.044) 13.006 5.069 ( 0.036 0.073 -2.117) 2.119 5.069 ( -0.036 0.073 2.117) 2.119 5.328 ( 4.199 -1.822 -7.011) 8.373 5.328 ( -4.199 -1.822 7.011) 8.373 6.042 ( 4.584 0.031 -4.801) 6.638 6.042 ( -4.584 0.031 4.801) 6.638 6.293 ( 9.634 1.719 -8.983) 13.284 6.293 ( -9.634 1.719 8.983) 13.284 6.728 ( -2.210 1.643 -3.808) 4.699 6.728 ( 2.210 1.643 3.808) 4.699 7.746 ( 6.729 -1.300 -6.648) 9.548 7.746 ( -6.729 -1.300 6.648) 9.548 8.064 ( -0.606 2.393 -1.947) 3.144 8.064 ( 0.606 2.393 1.947) 3.144 8.343 ( -6.872 -2.862 -6.351) 9.785 8.343 ( 6.872 -2.862 6.351) 9.785 8.873 ( -12.669 -0.884 2.108) 12.873 8.873 ( 12.669 -0.884 -2.108) 12.873 9.284 ( 0.812 -1.253 -6.288) 6.462 9.284 ( -0.812 -1.253 6.288) 6.462 10.000 ( 5.076 2.182 -12.253) 13.441 10.000 ( -5.076 2.182 12.253) 13.441 11.420 ( 12.616 -0.082 -13.097) 18.186 11.420 ( -12.616 -0.082 13.097) 18.186 14.021 ( 1.243 -0.336 -0.892) 1.566 14.021 ( -1.243 -0.336 0.892) 1.566 14.407 ( -1.301 2.775 -0.427) 3.095 14.407 ( 1.301 2.775 0.427) 3.095 16.111 ( 2.207 0.624 -2.733) 3.568 16.111 ( -2.207 0.624 2.733) 3.568 16.919 ( 4.748 0.939 -5.322) 7.194 16.919 ( -4.748 0.939 5.322) 7.194 18.040 ( 4.370 -2.991 -4.843) 7.177 18.040 ( -4.370 -2.991 4.843) 7.177 21.748 ( -0.291 0.157 -1.377) 1.416 21.748 ( 0.291 0.157 1.377) 1.416 22.913 ( -1.491 0.111 -2.040) 2.530 22.913 ( 1.491 0.111 2.040) 2.530 23.225 ( 1.689 0.378 -6.034) 6.278 23.225 ( -1.689 0.378 6.034) 6.278 23.742 ( -1.941 -0.368 0.219) 1.987 23.742 ( 1.941 -0.368 -0.219) 1.987 24.788 ( 10.779 -3.408 -8.009) 13.854 24.788 ( -10.779 -3.408 8.009) 13.854 25.138 ( -1.061 3.468 -2.113) 4.197 25.138 ( 1.061 3.468 2.113) 4.197 25.565 ( 2.847 -0.366 -3.982) 4.908 25.565 ( -2.847 -0.366 3.982) 4.908 ======================= Grid point 224 (111/116) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 2.674 -0.000 -0.263) 2.687 1.162 ( 0.491 -0.000 2.065) 2.122 1.309 ( 2.685 -0.000 -2.882) 3.939 1.338 ( 9.980 -0.000 -4.553) 10.969 1.469 ( 0.461 -0.000 -3.367) 3.398 1.473 ( 0.181 -0.000 2.724) 2.730 1.577 ( 0.243 -0.000 -0.015) 0.244 1.619 ( -0.303 0.000 0.488) 0.574 1.645 ( -7.251 0.000 5.021) 8.820 1.663 ( 0.518 -0.000 -3.207) 3.248 1.674 ( 2.110 -0.000 -0.167) 2.116 1.795 ( 3.615 -0.000 6.549) 7.480 1.912 ( 0.691 -0.000 -0.052) 0.693 1.964 ( -2.570 0.000 -3.066) 4.001 2.010 ( -0.583 0.000 -1.095) 1.240 2.044 ( -1.182 0.000 0.578) 1.316 2.048 ( 2.385 -0.000 -4.516) 5.107 2.192 ( -5.242 0.000 2.075) 5.638 2.430 ( -4.310 0.000 8.827) 9.823 2.476 ( 2.344 -0.000 -6.372) 6.790 2.776 ( -7.390 0.000 -0.025) 7.390 2.853 ( 3.513 -0.000 -2.221) 4.157 2.910 ( 4.989 -0.000 -5.221) 7.221 2.974 ( -1.324 0.000 1.190) 1.780 3.068 ( -7.274 0.000 2.167) 7.590 3.142 ( 2.215 -0.000 -5.458) 5.890 3.647 ( -6.367 0.000 11.053) 12.756 3.738 ( 2.960 -0.000 -6.023) 6.711 4.363 ( -4.233 0.000 8.066) 9.109 4.375 ( 4.144 -0.000 -4.126) 5.847 5.094 ( 4.669 -0.000 -3.691) 5.952 5.142 ( -10.768 0.000 7.886) 13.347 5.246 ( -0.337 0.000 -1.494) 1.531 5.310 ( 5.829 -0.000 -4.376) 7.289 5.906 ( 8.956 -0.000 -11.691) 14.728 6.083 ( -2.546 0.000 6.338) 6.831 6.127 ( -4.570 0.000 15.101) 15.777 6.167 ( 6.081 -0.000 -3.795) 7.168 6.593 ( 3.859 -0.000 -0.485) 3.890 6.595 ( -0.005 0.000 0.028) 0.029 7.720 ( 1.472 -0.000 -7.682) 7.822 7.745 ( -1.778 0.000 4.843) 5.159 7.988 ( -1.230 0.000 2.544) 2.825 8.035 ( 1.325 -0.000 2.578) 2.899 8.304 ( -1.983 0.000 3.155) 3.727 8.329 ( 1.305 -0.000 -7.090) 7.209 9.114 ( -1.365 0.000 -6.653) 6.791 9.115 ( -0.324 0.000 2.091) 2.116 9.400 ( -11.035 0.000 2.759) 11.375 9.501 ( 3.963 -0.000 -5.204) 6.541 9.985 ( -12.537 0.000 12.209) 17.499 10.156 ( 11.696 -0.000 -9.425) 15.021 11.285 ( -9.988 0.000 19.226) 21.665 11.318 ( 8.767 -0.000 -15.440) 17.755 14.023 ( 0.481 -0.000 -2.102) 2.156 14.058 ( -0.920 0.000 1.250) 1.552 14.331 ( 2.115 -0.000 4.355) 4.841 14.576 ( 5.949 -0.000 -8.919) 10.720 16.108 ( -1.897 0.000 3.995) 4.422 16.113 ( 2.844 -0.000 -3.142) 4.237 16.856 ( 1.983 -0.000 -3.030) 3.621 17.009 ( -3.250 0.000 7.667) 8.328 17.924 ( 1.708 -0.000 -8.228) 8.403 18.055 ( -4.592 0.000 6.333) 7.823 21.719 ( 1.755 -0.000 -3.385) 3.813 21.913 ( -6.188 0.000 7.284) 9.558 22.960 ( 1.273 -0.000 -6.257) 6.385 23.053 ( 2.261 -0.000 5.425) 5.877 23.060 ( -1.180 0.000 -1.472) 1.887 23.267 ( -2.351 0.000 1.671) 2.885 23.710 ( -0.081 0.000 2.315) 2.317 23.745 ( -0.564 0.000 -1.972) 2.051 24.643 ( -7.132 0.000 10.410) 12.619 24.809 ( 0.516 -0.000 -9.474) 9.489 25.083 ( -0.372 0.000 3.428) 3.448 25.136 ( 4.292 -0.000 -0.453) 4.316 25.426 ( -2.267 0.000 -0.350) 2.294 25.688 ( 7.330 -0.000 -4.520) 8.612 ======================= Grid point 225 (112/116) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 4.060 0.508 2.361) 4.724 1.178 ( -0.134 0.126 1.290) 1.303 1.313 ( 2.265 1.755 -1.933) 3.456 1.368 ( 3.702 2.481 -9.736) 10.707 1.459 ( -0.449 1.288 0.258) 1.388 1.474 ( -0.193 0.694 0.212) 0.751 1.536 ( -2.759 3.337 2.713) 5.109 1.589 ( -3.022 -2.180 0.555) 3.768 1.606 ( -1.121 -2.000 2.025) 3.059 1.682 ( 1.472 -0.524 -1.978) 2.521 1.746 ( 1.914 -0.043 2.972) 3.536 1.824 ( -2.859 4.114 -1.592) 5.257 1.862 ( -2.283 0.936 -5.068) 5.636 1.900 ( 0.766 0.763 -2.207) 2.458 1.972 ( -2.301 0.317 -2.808) 3.645 2.015 ( -3.421 -2.478 -0.352) 4.239 2.078 ( 2.316 -2.725 -0.304) 3.589 2.170 ( -1.364 0.826 2.903) 3.312 2.456 ( -1.218 0.362 0.764) 1.483 2.461 ( -3.453 -1.214 6.027) 7.051 2.685 ( -3.958 -1.009 0.097) 4.086 2.838 ( -1.924 0.578 -2.707) 3.371 2.897 ( -2.169 -0.742 -2.837) 3.648 2.958 ( -4.073 0.393 2.487) 4.789 2.997 ( -1.988 -0.031 1.999) 2.820 3.094 ( 4.743 0.208 -9.009) 10.183 3.690 ( -6.490 -0.502 12.775) 14.338 3.714 ( 4.222 0.569 -6.282) 7.590 4.393 ( 3.179 0.491 -1.318) 3.476 4.413 ( -0.919 -1.450 4.820) 5.116 5.089 ( -7.814 0.513 8.014) 11.204 5.099 ( -2.400 -0.909 0.946) 2.736 5.245 ( 4.984 -0.721 -5.760) 7.651 5.319 ( 2.325 0.285 -3.998) 4.633 5.950 ( 9.288 -0.744 -7.607) 12.029 6.080 ( -4.841 -0.285 4.573) 6.666 6.239 ( 9.589 1.027 -4.293) 10.556 6.288 ( -0.614 1.443 16.361) 16.436 6.607 ( 3.129 0.561 -1.293) 3.431 6.669 ( 6.264 -0.268 0.601) 6.298 7.656 ( 2.247 -0.290 -7.771) 8.094 7.776 ( -2.991 -0.919 5.394) 6.235 7.998 ( 0.013 1.699 3.351) 3.758 8.077 ( 1.603 0.072 0.724) 1.761 8.266 ( 0.600 2.435 -2.806) 3.763 8.353 ( -0.052 -4.621 2.452) 5.231 8.953 ( -6.286 0.375 -10.074) 11.880 9.106 ( -3.842 -0.085 1.646) 4.181 9.299 ( -7.148 -0.372 2.950) 7.742 9.416 ( -5.261 -1.835 -7.308) 9.190 9.975 ( -6.560 1.286 12.036) 13.768 10.167 ( 8.086 1.398 -12.848) 15.245 11.313 ( 10.696 1.466 -9.858) 14.620 11.367 ( -6.980 -1.810 14.826) 16.486 14.008 ( 0.658 -0.071 -1.895) 2.007 14.051 ( -1.438 0.168 0.833) 1.671 14.418 ( 1.845 -1.263 3.721) 4.341 14.548 ( 5.258 2.232 -9.212) 10.839 16.117 ( 0.780 0.732 0.098) 1.074 16.125 ( -0.115 -0.142 0.985) 1.002 16.870 ( 3.692 -0.566 -2.604) 4.553 17.018 ( -5.013 1.720 6.404) 8.313 17.878 ( 2.396 -0.941 -5.345) 5.932 18.044 ( -6.297 -1.093 5.367) 8.345 21.712 ( 1.267 -0.197 -1.863) 2.262 21.876 ( -7.902 0.319 5.518) 9.643 22.919 ( 1.561 0.480 -4.527) 4.812 23.006 ( -0.801 -0.367 -4.657) 4.740 23.137 ( 2.326 0.582 3.663) 4.378 23.261 ( -1.985 -0.341 2.505) 3.214 23.723 ( 0.565 0.435 -1.565) 1.719 23.734 ( -0.524 -0.637 1.915) 2.085 24.669 ( -6.727 -2.145 10.851) 12.946 24.736 ( 4.935 0.663 -10.398) 11.528 25.121 ( 0.853 2.193 4.369) 4.962 25.199 ( 2.688 -0.816 0.846) 2.934 25.419 ( 0.034 -2.061 1.000) 2.291 25.703 ( 3.184 1.677 -5.842) 6.861 ======================= Grid point 226 (113/116) ======================= q-point: (-0.43 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 6.647 1.489 1.419) 6.958 1.186 ( -1.624 -1.025 -0.089) 1.923 1.258 ( -1.948 6.946 1.748) 7.422 1.309 ( 2.010 2.859 -3.448) 4.909 1.408 ( -2.052 0.846 -0.327) 2.243 1.482 ( -1.247 -1.192 0.378) 1.766 1.524 ( -1.292 2.786 2.326) 3.852 1.577 ( 0.954 0.904 -1.933) 2.337 1.643 ( -1.055 0.763 0.610) 1.437 1.665 ( -2.190 2.508 1.303) 3.576 1.690 ( -1.168 -0.853 -3.092) 3.414 1.759 ( -0.274 1.642 -2.948) 3.385 1.810 ( -0.622 -0.297 1.945) 2.064 1.857 ( -3.435 -1.001 -1.930) 4.066 1.893 ( -1.725 0.840 -4.351) 4.756 1.955 ( -3.914 -0.946 -3.151) 5.113 2.121 ( 1.946 1.163 0.717) 2.378 2.177 ( -0.840 0.008 0.753) 1.128 2.441 ( -1.609 -0.066 2.647) 3.098 2.492 ( -0.632 -1.357 1.635) 2.217 2.678 ( -1.959 -1.654 3.182) 4.086 2.752 ( -4.050 0.319 -1.573) 4.356 2.862 ( 0.178 -0.207 -0.292) 0.399 2.916 ( -2.617 0.945 0.381) 2.809 3.027 ( 0.899 -0.038 2.863) 3.001 3.085 ( 4.829 0.057 -6.805) 8.345 3.719 ( 6.564 0.006 -6.898) 9.521 3.733 ( -7.030 -0.715 11.253) 13.288 4.430 ( 5.000 -1.388 -3.573) 6.300 4.458 ( -2.984 -2.197 5.356) 6.513 5.070 ( -4.521 0.613 5.698) 7.299 5.082 ( -2.459 -0.605 1.732) 3.068 5.267 ( 4.568 -1.615 -5.065) 7.010 5.302 ( 0.415 -0.744 -2.581) 2.718 5.998 ( 6.068 -1.096 -5.502) 8.264 6.056 ( -5.252 -0.575 4.275) 6.797 6.309 ( 9.224 2.604 -6.158) 11.392 6.376 ( -6.742 2.693 11.760) 13.821 6.671 ( 7.505 1.508 -0.050) 7.656 6.769 ( 4.243 0.353 0.479) 4.285 7.648 ( 7.354 -1.377 -6.996) 10.243 7.774 ( -7.103 -0.731 6.163) 9.433 8.047 ( 2.742 1.543 3.732) 4.881 8.116 ( 3.157 1.688 2.692) 4.479 8.216 ( -1.369 -0.087 -3.295) 3.570 8.402 ( -3.963 -4.957 -0.175) 6.349 8.781 ( 0.994 0.433 -7.237) 7.318 9.021 ( -11.791 -0.224 3.025) 12.175 9.247 ( -2.880 -0.489 0.649) 2.992 9.293 ( -2.762 -3.460 -5.631) 7.163 10.011 ( -4.788 2.531 11.657) 12.853 10.114 ( 6.731 2.205 -12.942) 14.754 11.367 ( 11.638 0.680 -9.622) 15.116 11.422 ( -8.201 -1.161 12.637) 15.110 14.005 ( 1.173 -0.190 -1.311) 1.770 14.034 ( -1.771 0.019 0.622) 1.877 14.466 ( 0.261 1.255 1.600) 2.050 14.501 ( 2.714 2.749 -5.513) 6.731 16.123 ( 1.049 0.791 -0.500) 1.405 16.130 ( -0.787 0.481 1.295) 1.590 16.908 ( 5.358 0.148 -3.473) 6.387 16.984 ( -5.659 2.250 5.255) 8.044 17.901 ( 4.373 -3.098 -2.857) 6.073 18.011 ( -6.697 -2.467 3.830) 8.100 21.722 ( 1.786 -0.231 -0.779) 1.962 21.809 ( -6.271 0.525 2.595) 6.807 22.900 ( 1.575 0.760 -1.901) 2.583 22.954 ( -0.717 -0.567 -3.364) 3.486 23.194 ( 1.353 0.803 2.999) 3.386 23.258 ( -1.002 -0.102 0.192) 1.025 23.720 ( 1.471 0.184 -1.163) 1.884 23.744 ( -1.385 -0.767 1.250) 2.017 24.704 ( 0.817 -1.812 -0.746) 2.123 24.715 ( -1.018 -2.418 0.724) 2.721 25.165 ( 1.484 3.007 3.954) 5.184 25.231 ( 0.600 0.861 -0.007) 1.050 25.479 ( 2.445 -2.501 2.147) 4.104 25.637 ( -0.812 2.053 -5.325) 5.765 ======================= Grid point 227 (114/116) ======================= q-point: (-0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -6.627 2.704 0.886) 7.212 1.113 ( 6.627 2.704 -0.886) 7.212 1.255 ( -1.770 3.321 -2.117) 4.318 1.255 ( 1.770 3.321 2.117) 4.318 1.422 ( -2.129 1.145 -4.413) 5.032 1.422 ( 2.129 1.145 4.413) 5.032 1.520 ( -0.205 2.013 -2.944) 3.573 1.520 ( 0.205 2.013 2.944) 3.573 1.625 ( 1.342 0.081 -2.981) 3.270 1.625 ( -1.342 0.081 2.981) 3.270 1.746 ( -2.573 0.966 -0.808) 2.864 1.746 ( 2.573 0.966 0.808) 2.864 1.796 ( -2.447 -0.631 -0.782) 2.646 1.796 ( 2.447 -0.631 0.782) 2.646 1.873 ( -1.174 0.631 -3.458) 3.706 1.873 ( 1.174 0.631 3.458) 3.706 2.143 ( -1.942 2.178 -0.962) 3.073 2.143 ( 1.942 2.178 0.962) 3.073 2.481 ( -1.169 -1.665 -2.254) 3.036 2.481 ( 1.169 -1.665 2.254) 3.036 2.706 ( -0.325 -0.864 -1.870) 2.085 2.706 ( 0.325 -0.864 1.870) 2.085 2.877 ( 0.288 0.795 -1.536) 1.754 2.877 ( -0.288 0.795 1.536) 1.754 3.067 ( 1.543 0.124 -4.521) 4.779 3.067 ( -1.543 0.124 4.521) 4.779 3.742 ( 6.844 -0.614 -7.940) 10.501 3.742 ( -6.844 -0.614 7.940) 10.501 4.477 ( 7.315 -2.664 -9.014) 11.911 4.477 ( -7.315 -2.664 9.014) 11.911 5.071 ( 2.014 0.088 -3.203) 3.785 5.071 ( -2.014 0.088 3.203) 3.785 5.295 ( 3.635 -1.915 -5.248) 6.665 5.295 ( -3.635 -1.915 5.248) 6.665 6.033 ( 5.150 -0.917 -4.647) 6.997 6.033 ( -5.150 -0.917 4.647) 6.997 6.338 ( 8.869 3.236 -8.525) 12.721 6.338 ( -8.869 3.236 8.525) 12.721 6.758 ( -2.456 1.757 -2.187) 3.729 6.758 ( 2.456 1.757 2.187) 3.729 7.723 ( 8.841 -1.342 -6.947) 11.324 7.723 ( -8.841 -1.342 6.947) 11.324 8.109 ( -2.273 2.729 -2.543) 4.368 8.109 ( 2.273 2.729 2.543) 4.368 8.286 ( -7.320 -3.529 -5.892) 10.038 8.286 ( 7.320 -3.529 5.892) 10.038 8.858 ( -12.669 -0.780 2.130) 12.870 8.858 ( 12.669 -0.780 -2.130) 12.870 9.254 ( 1.970 -2.071 -4.587) 5.405 9.254 ( -1.970 -2.071 4.587) 5.405 10.045 ( 5.585 2.832 -12.237) 13.746 10.045 ( -5.585 2.832 12.237) 13.746 11.418 ( 12.215 -0.129 -13.898) 18.503 11.418 ( -12.215 -0.129 13.898) 18.503 14.016 ( 1.397 -0.220 -0.762) 1.607 14.016 ( -1.397 -0.220 0.762) 1.607 14.460 ( 3.915 3.067 -4.439) 6.666 14.460 ( -3.915 3.067 4.439) 6.666 16.123 ( 2.611 0.812 -3.394) 4.358 16.123 ( -2.611 0.812 3.394) 4.358 16.939 ( 5.609 1.385 -4.767) 7.490 16.939 ( -5.609 1.385 4.767) 7.490 17.980 ( 3.855 -3.842 -3.711) 6.588 17.980 ( -3.855 -3.842 3.711) 6.588 21.752 ( -0.261 0.188 -0.942) 0.996 21.752 ( 0.261 0.188 0.942) 0.996 22.915 ( -1.214 0.133 -1.431) 1.881 22.915 ( 1.214 0.133 1.431) 1.881 23.233 ( 1.375 0.481 -4.401) 4.636 23.233 ( -1.375 0.481 4.401) 4.636 23.735 ( 1.576 -0.416 -0.798) 1.815 23.735 ( -1.576 -0.416 0.798) 1.815 24.731 ( 8.954 -3.051 -10.121) 13.854 24.731 ( -8.954 -3.051 10.121) 13.854 25.196 ( -0.869 3.091 -2.633) 4.152 25.196 ( 0.869 3.091 2.633) 4.152 25.557 ( 0.458 -0.423 -4.637) 4.679 25.557 ( -0.458 -0.423 4.637) 4.679 ======================= Grid point 233 (115/116) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 6.314 -0.000 1.915) 6.598 1.176 ( -1.667 0.000 0.698) 1.807 1.331 ( 1.333 -0.000 -4.227) 4.432 1.336 ( 1.212 -0.000 -1.121) 1.651 1.418 ( -4.786 0.000 2.401) 5.354 1.463 ( -0.640 0.000 -0.954) 1.149 1.528 ( -2.437 0.000 1.193) 2.714 1.606 ( 0.911 -0.000 2.293) 2.467 1.629 ( 1.264 -0.000 1.392) 1.881 1.676 ( 0.026 -0.000 -2.595) 2.595 1.707 ( -6.117 0.000 -1.675) 6.342 1.783 ( -1.869 0.000 -1.092) 2.165 1.814 ( 0.846 -0.000 0.655) 1.070 1.848 ( -3.472 0.000 -2.848) 4.490 1.895 ( -0.294 0.000 -6.083) 6.090 1.941 ( -3.448 0.000 -1.270) 3.674 2.123 ( 2.256 -0.000 1.902) 2.951 2.180 ( 0.587 -0.000 -1.344) 1.466 2.447 ( -1.260 0.000 2.464) 2.768 2.482 ( -0.650 0.000 2.660) 2.738 2.661 ( -1.993 0.000 3.584) 4.101 2.755 ( -4.524 0.000 -2.188) 5.025 2.860 ( 0.695 -0.000 -0.319) 0.765 2.924 ( -3.313 0.000 1.158) 3.510 3.027 ( 0.427 -0.000 3.499) 3.524 3.085 ( 5.503 -0.000 -7.762) 9.515 3.719 ( 6.779 -0.000 -7.832) 10.359 3.727 ( -7.560 0.000 12.271) 14.413 4.420 ( 6.657 -0.000 -7.072) 9.712 4.435 ( -5.536 0.000 8.700) 10.312 5.075 ( -0.218 0.000 -0.758) 0.788 5.076 ( -6.894 0.000 8.614) 11.033 5.253 ( 5.364 -0.000 -6.123) 8.140 5.296 ( -0.584 0.000 -2.029) 2.112 5.989 ( 6.522 -0.000 -5.917) 8.806 6.050 ( -5.630 0.000 4.562) 7.246 6.333 ( 9.534 -0.000 -6.171) 11.357 6.402 ( -6.971 0.000 12.037) 13.910 6.684 ( 7.699 -0.000 -0.093) 7.700 6.771 ( 4.673 -0.000 0.887) 4.757 7.636 ( 7.802 -0.000 -7.797) 11.030 7.767 ( -7.501 0.000 6.952) 10.227 8.060 ( 2.612 -0.000 3.600) 4.448 8.124 ( 3.596 -0.000 1.193) 3.789 8.233 ( -1.728 0.000 -3.216) 3.651 8.349 ( -3.754 0.000 1.135) 3.922 8.785 ( 0.599 -0.000 -7.292) 7.317 9.019 ( -12.030 0.000 2.872) 12.368 9.244 ( -4.376 0.000 2.335) 4.960 9.260 ( -1.033 0.000 -7.283) 7.356 10.034 ( -4.875 0.000 11.658) 12.636 10.134 ( 6.720 -0.000 -13.026) 14.658 11.375 ( 13.495 -0.000 -12.922) 18.684 11.410 ( -10.307 0.000 16.565) 19.510 14.003 ( 1.233 -0.000 -1.377) 1.848 14.034 ( -1.868 0.000 0.605) 1.964 14.471 ( -0.578 0.000 4.500) 4.537 14.530 ( 4.593 -0.000 -8.683) 9.823 16.131 ( 3.112 -0.000 -3.484) 4.672 16.133 ( -2.730 0.000 4.215) 5.022 16.910 ( 5.753 -0.000 -3.114) 6.542 17.005 ( -6.205 0.000 5.198) 8.094 17.874 ( 4.549 -0.000 -3.630) 5.820 17.988 ( -7.464 0.000 4.251) 8.590 21.720 ( 2.255 -0.000 -1.175) 2.542 21.814 ( -6.890 0.000 3.207) 7.600 22.908 ( 1.724 -0.000 -2.443) 2.990 22.948 ( -0.828 0.000 -2.865) 2.982 23.202 ( 2.683 -0.000 0.922) 2.837 23.257 ( -2.453 0.000 2.565) 3.549 23.722 ( 1.272 -0.000 -1.328) 1.839 23.737 ( -1.280 0.000 1.458) 1.940 24.678 ( -7.775 0.000 11.664) 14.018 24.705 ( 7.022 -0.000 -11.337) 13.335 25.195 ( 0.615 -0.000 4.457) 4.499 25.236 ( 1.530 -0.000 0.075) 1.532 25.455 ( 3.116 -0.000 2.626) 4.075 25.655 ( -0.903 0.000 -6.638) 6.699 ======================= Grid point 234 (116/116) ======================= q-point: (-0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -2.730 0.422 0.051) 2.763 1.135 ( 2.730 0.422 -0.050) 2.763 1.315 ( 0.036 2.618 -1.004) 2.804 1.315 ( -0.036 2.618 1.004) 2.804 1.428 ( -0.295 0.186 -4.811) 4.823 1.428 ( 0.295 0.186 4.811) 4.823 1.538 ( -0.780 -0.465 -3.271) 3.395 1.538 ( 0.780 -0.465 3.271) 3.395 1.640 ( 1.618 1.477 -1.866) 2.878 1.640 ( -1.618 1.477 1.866) 2.878 1.752 ( -4.769 0.190 -2.173) 5.244 1.752 ( 4.769 0.190 2.173) 5.244 1.792 ( -1.852 -0.102 -2.357) 2.999 1.792 ( 1.852 -0.102 2.357) 2.999 1.882 ( -1.635 0.285 -1.533) 2.259 1.882 ( 1.635 0.285 1.533) 2.259 2.163 ( -0.477 0.317 -1.611) 1.710 2.163 ( 0.477 0.317 1.611) 1.710 2.473 ( -1.384 0.279 -1.072) 1.773 2.473 ( 1.384 0.279 1.072) 1.773 2.690 ( -0.612 -0.763 -2.746) 2.915 2.690 ( 0.612 -0.763 2.747) 2.915 2.886 ( -1.049 0.263 -0.376) 1.145 2.886 ( 1.049 0.263 0.376) 1.145 3.068 ( 2.124 -0.023 -5.640) 6.026 3.068 ( -2.124 -0.023 5.640) 6.026 3.734 ( 7.767 -0.232 -9.552) 12.313 3.734 ( -7.767 -0.232 9.552) 12.313 4.441 ( 6.863 -1.278 -8.261) 10.816 4.441 ( -6.863 -1.278 8.261) 10.816 5.072 ( 3.313 0.025 -4.274) 5.408 5.072 ( -3.313 0.025 4.274) 5.408 5.271 ( 3.034 -0.751 -2.960) 4.305 5.271 ( -3.034 -0.751 2.960) 4.305 6.020 ( 5.711 -0.495 -4.976) 7.591 6.020 ( -5.711 -0.495 4.976) 7.591 6.382 ( 8.693 1.579 -8.080) 11.973 6.382 ( -8.693 1.579 8.080) 11.973 6.780 ( -3.321 0.711 -0.720) 3.472 6.780 ( 3.321 0.711 0.720) 3.472 7.706 ( 10.983 -0.537 -7.458) 13.287 7.706 ( -10.983 -0.537 7.458) 13.287 8.144 ( -3.423 1.210 -3.536) 5.068 8.144 ( 3.423 1.210 3.536) 5.068 8.241 ( -7.143 -1.595 -4.115) 8.397 8.241 ( 7.143 -1.595 4.115) 8.397 8.849 ( -12.398 -0.272 2.192) 12.593 8.849 ( 12.398 -0.272 -2.192) 12.593 9.225 ( 2.917 -1.050 -3.862) 4.952 9.225 ( -2.917 -1.050 3.862) 4.952 10.082 ( 5.707 1.277 -12.111) 13.449 10.082 ( -5.707 1.277 12.111) 13.449 11.416 ( 12.098 -0.067 -14.307) 18.736 11.416 ( -12.098 -0.067 14.307) 18.736 14.014 ( 1.698 -0.051 -0.808) 1.881 14.014 ( -1.698 -0.051 0.808) 1.881 14.498 ( 3.234 1.250 -6.250) 7.147 14.498 ( -3.234 1.250 6.250) 7.147 16.134 ( 2.962 0.372 -3.853) 4.874 16.134 ( -2.962 0.372 3.853) 4.874 16.959 ( 6.374 0.710 -4.258) 7.698 16.959 ( -6.374 0.710 4.258) 7.698 17.929 ( 5.324 -1.766 -3.032) 6.376 17.929 ( -5.324 -1.766 3.032) 6.376 21.754 ( -0.056 0.081 -0.351) 0.365 21.754 ( 0.056 0.081 0.351) 0.365 22.917 ( -1.021 0.057 -0.451) 1.118 22.917 ( 1.021 0.057 0.451) 1.118 23.239 ( 0.815 0.217 -1.733) 1.927 23.239 ( -0.815 0.217 1.733) 1.927 23.730 ( 1.612 -0.168 -1.207) 2.021 23.730 ( -1.612 -0.168 1.207) 2.021 24.695 ( 8.087 -1.139 -11.498) 14.103 24.695 ( -8.087 -1.139 11.498) 14.103 25.232 ( -0.106 1.143 -2.151) 2.439 25.232 ( 0.106 1.143 2.151) 2.439 25.552 ( -2.928 -0.176 -5.111) 5.893 25.552 ( 2.928 -0.176 5.111) 5.893 =================== 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 3/30576 10.0 26.524 14.734 33.463 0.000 -5.175 -0.000 3/30576 20.0 5.948 2.980 8.144 0.000 -0.759 -0.000 3/30576 30.0 3.056 1.531 4.248 0.000 -0.363 -0.000 3/30576 40.0 2.109 1.036 2.941 0.000 -0.295 -0.000 3/30576 50.0 1.668 0.789 2.330 0.000 -0.293 -0.000 3/30576 60.0 1.423 0.643 1.987 0.000 -0.306 -0.000 3/30576 70.0 1.271 0.546 1.773 0.000 -0.321 -0.000 3/30576 80.0 1.169 0.477 1.626 0.000 -0.335 -0.000 3/30576 90.0 1.094 0.425 1.519 0.000 -0.346 -0.000 3/30576 100.0 1.035 0.385 1.434 0.000 -0.353 -0.000 3/30576 110.0 0.986 0.353 1.363 0.000 -0.357 -0.000 3/30576 120.0 0.942 0.327 1.302 0.000 -0.358 -0.000 3/30576 130.0 0.903 0.305 1.247 0.000 -0.357 -0.000 3/30576 140.0 0.867 0.287 1.196 0.000 -0.354 -0.000 3/30576 150.0 0.833 0.271 1.150 0.000 -0.349 -0.000 3/30576 160.0 0.802 0.257 1.107 0.000 -0.344 -0.000 3/30576 170.0 0.773 0.244 1.067 0.000 -0.338 -0.000 3/30576 180.0 0.746 0.234 1.030 0.000 -0.332 -0.000 3/30576 190.0 0.720 0.224 0.995 0.000 -0.325 -0.000 3/30576 200.0 0.696 0.215 0.963 0.000 -0.318 -0.000 3/30576 210.0 0.674 0.207 0.932 0.000 -0.312 -0.000 3/30576 220.0 0.653 0.200 0.904 0.000 -0.305 -0.000 3/30576 230.0 0.633 0.194 0.877 0.000 -0.298 -0.000 3/30576 240.0 0.614 0.188 0.852 0.000 -0.292 -0.000 3/30576 250.0 0.597 0.182 0.828 0.000 -0.286 -0.000 3/30576 260.0 0.580 0.177 0.806 0.000 -0.280 -0.000 3/30576 270.0 0.564 0.172 0.784 0.000 -0.274 -0.000 3/30576 280.0 0.549 0.168 0.764 0.000 -0.268 -0.000 3/30576 290.0 0.535 0.163 0.745 0.000 -0.263 -0.000 3/30576 300.0 0.522 0.159 0.727 0.000 -0.257 -0.000 3/30576 310.0 0.509 0.155 0.709 0.000 -0.252 -0.000 3/30576 320.0 0.497 0.152 0.693 0.000 -0.247 -0.000 3/30576 330.0 0.485 0.148 0.677 0.000 -0.242 -0.000 3/30576 340.0 0.474 0.145 0.662 0.000 -0.237 -0.000 3/30576 350.0 0.463 0.142 0.647 0.000 -0.233 -0.000 3/30576 360.0 0.453 0.139 0.633 0.000 -0.228 -0.000 3/30576 370.0 0.443 0.136 0.620 0.000 -0.224 -0.000 3/30576 380.0 0.434 0.134 0.607 0.000 -0.220 -0.000 3/30576 390.0 0.425 0.131 0.595 0.000 -0.216 -0.000 3/30576 400.0 0.416 0.128 0.583 0.000 -0.212 -0.000 3/30576 410.0 0.408 0.126 0.572 0.000 -0.208 -0.000 3/30576 420.0 0.400 0.124 0.561 0.000 -0.205 -0.000 3/30576 430.0 0.392 0.121 0.550 0.000 -0.201 -0.000 3/30576 440.0 0.385 0.119 0.540 0.000 -0.198 -0.000 3/30576 450.0 0.377 0.117 0.530 0.000 -0.194 -0.000 3/30576 460.0 0.370 0.115 0.521 0.000 -0.191 -0.000 3/30576 470.0 0.364 0.113 0.511 0.000 -0.188 -0.000 3/30576 480.0 0.357 0.111 0.503 0.000 -0.185 -0.000 3/30576 490.0 0.351 0.109 0.494 0.000 -0.182 -0.000 3/30576 500.0 0.345 0.108 0.486 0.000 -0.179 -0.000 3/30576 510.0 0.339 0.106 0.478 0.000 -0.176 -0.000 3/30576 520.0 0.334 0.104 0.470 0.000 -0.173 -0.000 3/30576 530.0 0.328 0.103 0.462 0.000 -0.171 -0.000 3/30576 540.0 0.323 0.101 0.455 0.000 -0.168 -0.000 3/30576 550.0 0.318 0.100 0.448 0.000 -0.166 -0.000 3/30576 560.0 0.313 0.098 0.441 0.000 -0.163 -0.000 3/30576 570.0 0.308 0.097 0.434 0.000 -0.161 -0.000 3/30576 580.0 0.303 0.095 0.428 0.000 -0.158 -0.000 3/30576 590.0 0.299 0.094 0.421 0.000 -0.156 -0.000 3/30576 600.0 0.294 0.093 0.415 0.000 -0.154 -0.000 3/30576 610.0 0.290 0.091 0.409 0.000 -0.152 -0.000 3/30576 620.0 0.286 0.090 0.403 0.000 -0.150 -0.000 3/30576 630.0 0.282 0.089 0.398 0.000 -0.148 -0.000 3/30576 640.0 0.278 0.088 0.392 0.000 -0.146 -0.000 3/30576 650.0 0.274 0.086 0.387 0.000 -0.144 -0.000 3/30576 660.0 0.270 0.085 0.381 0.000 -0.142 -0.000 3/30576 670.0 0.266 0.084 0.376 0.000 -0.140 -0.000 3/30576 680.0 0.263 0.083 0.371 0.000 -0.138 -0.000 3/30576 690.0 0.259 0.082 0.367 0.000 -0.137 -0.000 3/30576 700.0 0.256 0.081 0.362 0.000 -0.135 -0.000 3/30576 710.0 0.253 0.080 0.357 0.000 -0.133 -0.000 3/30576 720.0 0.249 0.079 0.353 0.000 -0.132 -0.000 3/30576 730.0 0.246 0.078 0.348 0.000 -0.130 -0.000 3/30576 740.0 0.243 0.077 0.344 0.000 -0.128 -0.000 3/30576 750.0 0.240 0.076 0.340 0.000 -0.127 -0.000 3/30576 760.0 0.237 0.075 0.336 0.000 -0.125 -0.000 3/30576 770.0 0.234 0.074 0.332 0.000 -0.124 -0.000 3/30576 780.0 0.232 0.073 0.328 0.000 -0.122 -0.000 3/30576 790.0 0.229 0.073 0.324 0.000 -0.121 -0.000 3/30576 800.0 0.226 0.072 0.320 0.000 -0.120 -0.000 3/30576 810.0 0.224 0.071 0.317 0.000 -0.118 -0.000 3/30576 820.0 0.221 0.070 0.313 0.000 -0.117 -0.000 3/30576 830.0 0.219 0.069 0.310 0.000 -0.116 -0.000 3/30576 840.0 0.216 0.069 0.306 0.000 -0.115 -0.000 3/30576 850.0 0.214 0.068 0.303 0.000 -0.113 -0.000 3/30576 860.0 0.212 0.067 0.300 0.000 -0.112 -0.000 3/30576 870.0 0.209 0.067 0.296 0.000 -0.111 -0.000 3/30576 880.0 0.207 0.066 0.293 0.000 -0.110 -0.000 3/30576 890.0 0.205 0.065 0.290 0.000 -0.109 -0.000 3/30576 900.0 0.203 0.065 0.287 0.000 -0.108 -0.000 3/30576 910.0 0.201 0.064 0.284 0.000 -0.106 -0.000 3/30576 920.0 0.199 0.063 0.281 0.000 -0.105 -0.000 3/30576 930.0 0.196 0.063 0.278 0.000 -0.104 -0.000 3/30576 940.0 0.195 0.062 0.276 0.000 -0.103 -0.000 3/30576 950.0 0.193 0.061 0.273 0.000 -0.102 -0.000 3/30576 960.0 0.191 0.061 0.270 0.000 -0.101 -0.000 3/30576 970.0 0.189 0.060 0.268 0.000 -0.100 -0.000 3/30576 980.0 0.187 0.060 0.265 0.000 -0.099 -0.000 3/30576 990.0 0.185 0.059 0.263 0.000 -0.098 -0.000 3/30576 1000.0 0.183 0.059 0.260 0.000 -0.098 -0.000 3/30576 Thermal conductivity related properties were written into "kappa-m778.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:08:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|