----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:55:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.328503811778716 0.000000000000000 0.000000000000000 b 0.000000000000000 8.280765060000002 0.000000000000000 c -5.273670373155775 0.000000000000000 12.866950991103325 Atomic positions (fractional): *1 O 0.81963473704177 0.44107915521619 0.80051568769014 15.999 2 O 0.18036526295823 0.94107915521619 0.69948431230986 15.999 3 O 0.18036526295823 0.55892084478381 0.19948431230986 15.999 4 O 0.81963473704177 0.05892084478381 0.30051568769014 15.999 *5 O 0.51891132606738 0.64241276335150 0.84664311591680 15.999 6 O 0.48108867393262 0.14241276335150 0.65335688408320 15.999 7 O 0.48108867393262 0.35758723664850 0.15335688408320 15.999 8 O 0.51891132606738 0.85758723664850 0.34664311591680 15.999 *9 O 0.32202158752789 0.38108628700997 0.76211085317192 15.999 10 O 0.67797841247211 0.88108628700997 0.73788914682808 15.999 11 O 0.67797841247211 0.61891371299003 0.23788914682808 15.999 12 O 0.32202158752789 0.11891371299003 0.26211085317192 15.999 *13 O 0.71792309271031 0.09797801375748 0.89865830559513 15.999 14 O 0.28207690728969 0.59797801375748 0.60134169440487 15.999 15 O 0.28207690728969 0.90202198624252 0.10134169440487 15.999 16 O 0.71792309271031 0.40202198624252 0.39865830559513 15.999 *17 O 0.88794768034754 0.31237368601302 0.58828147940519 15.999 18 O 0.11205231965246 0.81237368601302 0.91171852059481 15.999 19 O 0.11205231965246 0.68762631398698 0.41171852059481 15.999 20 O 0.88794768034754 0.18762631398698 0.08828147940519 15.999 *21 O 0.66536221123853 0.11353809162666 0.44846965128789 15.999 22 O 0.33463778876147 0.61353809162666 0.05153034871211 15.999 23 O 0.33463778876147 0.88646190837334 0.55153034871211 15.999 24 O 0.66536221123853 0.38646190837334 0.94846965128789 15.999 *25 O 0.37450308375759 0.33403359634706 0.47884659580370 15.999 26 O 0.62549691624241 0.83403359634706 0.02115340419630 15.999 27 O 0.62549691624241 0.66596640365294 0.52115340419630 15.999 28 O 0.37450308375759 0.16596640365294 0.97884659580370 15.999 *29 P 0.65895009309830 0.19925655147782 0.98066461394297 30.974 30 P 0.65895009309830 0.30074344852218 0.48066461394297 30.974 31 P 0.34104990690170 0.80074344852218 0.01933538605703 30.974 32 P 0.34104990690170 0.69925655147782 0.51933538605703 30.974 *33 P 0.58244023347670 0.46539023345934 0.83493459720279 30.974 34 P 0.58244023347670 0.03460976654066 0.33493459720279 30.974 35 P 0.41755976652330 0.53460976654066 0.16506540279721 30.974 36 P 0.41755976652330 0.96539023345934 0.66506540279721 30.974 *37 Zn 0.72603638850383 0.64972007659336 0.39459978577979 65.380 38 Zn 0.27396361149617 0.35027992340664 0.60540021422021 65.380 39 Zn 0.72603638850383 0.85027992340664 0.89459978577979 65.380 40 Zn 0.27396361149617 0.14972007659336 0.10540021422021 65.380 *41 Pb 0.01577762983181 0.67164413577041 0.72145481985352 207.200 42 Pb 0.98422237016819 0.17164413577041 0.77854518014648 207.200 43 Pb 0.98422237016819 0.32835586422959 0.27854518014648 207.200 44 Pb 0.01577762983181 0.82835586422959 0.22145481985352 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.328503811778716 0.000000000000000 0.000000000000000 b 0.000000000000000 8.280765060000002 0.000000000000000 c -5.273670373155775 0.000000000000000 12.866950991103325 Atomic positions (fractional): *1 O 0.81963473704177 0.44107915521619 0.80051568769014 15.999 > 1 2 O 0.18036526295823 0.94107915521619 0.69948431230986 15.999 > 2 3 O 0.18036526295823 0.55892084478381 0.19948431230986 15.999 > 3 4 O 0.81963473704177 0.05892084478381 0.30051568769014 15.999 > 4 *5 O 0.51891132606738 0.64241276335150 0.84664311591680 15.999 > 5 6 O 0.48108867393262 0.14241276335150 0.65335688408320 15.999 > 6 7 O 0.48108867393262 0.35758723664850 0.15335688408320 15.999 > 7 8 O 0.51891132606738 0.85758723664850 0.34664311591680 15.999 > 8 *9 O 0.32202158752789 0.38108628700997 0.76211085317192 15.999 > 9 10 O 0.67797841247211 0.88108628700997 0.73788914682808 15.999 > 10 11 O 0.67797841247211 0.61891371299003 0.23788914682808 15.999 > 11 12 O 0.32202158752789 0.11891371299003 0.26211085317192 15.999 > 12 *13 O 0.71792309271031 0.09797801375748 0.89865830559513 15.999 > 13 14 O 0.28207690728969 0.59797801375748 0.60134169440487 15.999 > 14 15 O 0.28207690728969 0.90202198624252 0.10134169440487 15.999 > 15 16 O 0.71792309271031 0.40202198624252 0.39865830559513 15.999 > 16 *17 O 0.88794768034754 0.31237368601302 0.58828147940519 15.999 > 17 18 O 0.11205231965246 0.81237368601302 0.91171852059481 15.999 > 18 19 O 0.11205231965246 0.68762631398698 0.41171852059481 15.999 > 19 20 O 0.88794768034754 0.18762631398698 0.08828147940519 15.999 > 20 *21 O 0.66536221123853 0.11353809162666 0.44846965128789 15.999 > 21 22 O 0.33463778876147 0.61353809162666 0.05153034871211 15.999 > 22 23 O 0.33463778876147 0.88646190837334 0.55153034871211 15.999 > 23 24 O 0.66536221123853 0.38646190837334 0.94846965128789 15.999 > 24 *25 O 0.37450308375759 0.33403359634706 0.47884659580370 15.999 > 25 26 O 0.62549691624241 0.83403359634706 0.02115340419630 15.999 > 26 27 O 0.62549691624241 0.66596640365294 0.52115340419630 15.999 > 27 28 O 0.37450308375759 0.16596640365294 0.97884659580370 15.999 > 28 *29 P 0.65895009309830 0.19925655147782 0.98066461394297 30.974 > 29 30 P 0.65895009309830 0.30074344852218 0.48066461394297 30.974 > 30 31 P 0.34104990690170 0.80074344852218 0.01933538605703 30.974 > 31 32 P 0.34104990690170 0.69925655147782 0.51933538605703 30.974 > 32 *33 P 0.58244023347670 0.46539023345934 0.83493459720279 30.974 > 33 34 P 0.58244023347670 0.03460976654066 0.33493459720279 30.974 > 34 35 P 0.41755976652330 0.53460976654066 0.16506540279721 30.974 > 35 36 P 0.41755976652330 0.96539023345934 0.66506540279721 30.974 > 36 *37 Zn 0.72603638850383 0.64972007659336 0.39459978577979 65.380 > 37 38 Zn 0.27396361149617 0.35027992340664 0.60540021422021 65.380 > 38 39 Zn 0.72603638850383 0.85027992340664 0.89459978577979 65.380 > 39 40 Zn 0.27396361149617 0.14972007659336 0.10540021422021 65.380 > 40 *41 Pb 0.01577762983181 0.67164413577041 0.72145481985352 207.200 > 41 42 Pb 0.98422237016819 0.17164413577041 0.77854518014648 207.200 > 42 43 Pb 0.98422237016819 0.32835586422959 0.27854518014648 207.200 > 43 44 Pb 0.01577762983181 0.82835586422959 0.22145481985352 207.200 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.657007623557432 0.000000000000000 0.000000000000000 b 0.000000000000000 8.280765060000002 0.000000000000000 c -5.273670373155775 0.000000000000000 12.866950991103325 Atomic positions (fractional): *1 O 0.40981736852088 0.44107915521619 0.80051568769014 15.999 > 1 2 O 0.90981736852088 0.44107915521619 0.80051568769014 15.999 > 1 3 O 0.09018263147912 0.94107915521619 0.69948431230986 15.999 > 2 4 O 0.59018263147912 0.94107915521619 0.69948431230986 15.999 > 2 5 O 0.09018263147912 0.55892084478381 0.19948431230986 15.999 > 3 6 O 0.59018263147912 0.55892084478381 0.19948431230986 15.999 > 3 7 O 0.40981736852088 0.05892084478381 0.30051568769014 15.999 > 4 8 O 0.90981736852088 0.05892084478381 0.30051568769014 15.999 > 4 *9 O 0.25945566303369 0.64241276335150 0.84664311591680 15.999 > 5 10 O 0.75945566303369 0.64241276335150 0.84664311591680 15.999 > 5 11 O 0.24054433696631 0.14241276335150 0.65335688408320 15.999 > 6 12 O 0.74054433696631 0.14241276335150 0.65335688408320 15.999 > 6 13 O 0.24054433696631 0.35758723664850 0.15335688408320 15.999 > 7 14 O 0.74054433696631 0.35758723664850 0.15335688408320 15.999 > 7 15 O 0.25945566303369 0.85758723664850 0.34664311591680 15.999 > 8 16 O 0.75945566303369 0.85758723664850 0.34664311591680 15.999 > 8 *17 O 0.16101079376394 0.38108628700997 0.76211085317192 15.999 > 9 18 O 0.66101079376394 0.38108628700997 0.76211085317192 15.999 > 9 19 O 0.33898920623606 0.88108628700997 0.73788914682808 15.999 > 10 20 O 0.83898920623606 0.88108628700997 0.73788914682808 15.999 > 10 21 O 0.33898920623606 0.61891371299003 0.23788914682808 15.999 > 11 22 O 0.83898920623606 0.61891371299003 0.23788914682808 15.999 > 11 23 O 0.16101079376394 0.11891371299003 0.26211085317192 15.999 > 12 24 O 0.66101079376394 0.11891371299003 0.26211085317192 15.999 > 12 *25 O 0.35896154635515 0.09797801375748 0.89865830559513 15.999 > 13 26 O 0.85896154635515 0.09797801375748 0.89865830559513 15.999 > 13 27 O 0.14103845364485 0.59797801375748 0.60134169440487 15.999 > 14 28 O 0.64103845364485 0.59797801375748 0.60134169440487 15.999 > 14 29 O 0.14103845364485 0.90202198624252 0.10134169440487 15.999 > 15 30 O 0.64103845364485 0.90202198624252 0.10134169440487 15.999 > 15 31 O 0.35896154635515 0.40202198624252 0.39865830559513 15.999 > 16 32 O 0.85896154635515 0.40202198624252 0.39865830559513 15.999 > 16 *33 O 0.44397384017377 0.31237368601302 0.58828147940519 15.999 > 17 34 O 0.94397384017377 0.31237368601302 0.58828147940519 15.999 > 17 35 O 0.05602615982623 0.81237368601302 0.91171852059481 15.999 > 18 36 O 0.55602615982623 0.81237368601302 0.91171852059481 15.999 > 18 37 O 0.05602615982623 0.68762631398698 0.41171852059481 15.999 > 19 38 O 0.55602615982623 0.68762631398698 0.41171852059481 15.999 > 19 39 O 0.44397384017377 0.18762631398698 0.08828147940519 15.999 > 20 40 O 0.94397384017377 0.18762631398698 0.08828147940519 15.999 > 20 *41 O 0.33268110561926 0.11353809162666 0.44846965128789 15.999 > 21 42 O 0.83268110561926 0.11353809162666 0.44846965128789 15.999 > 21 43 O 0.16731889438074 0.61353809162666 0.05153034871211 15.999 > 22 44 O 0.66731889438074 0.61353809162666 0.05153034871211 15.999 > 22 45 O 0.16731889438074 0.88646190837334 0.55153034871211 15.999 > 23 46 O 0.66731889438074 0.88646190837334 0.55153034871211 15.999 > 23 47 O 0.33268110561926 0.38646190837334 0.94846965128789 15.999 > 24 48 O 0.83268110561926 0.38646190837334 0.94846965128789 15.999 > 24 *49 O 0.18725154187879 0.33403359634706 0.47884659580370 15.999 > 25 50 O 0.68725154187879 0.33403359634706 0.47884659580370 15.999 > 25 51 O 0.31274845812121 0.83403359634706 0.02115340419630 15.999 > 26 52 O 0.81274845812121 0.83403359634706 0.02115340419630 15.999 > 26 53 O 0.31274845812121 0.66596640365294 0.52115340419630 15.999 > 27 54 O 0.81274845812121 0.66596640365294 0.52115340419630 15.999 > 27 55 O 0.18725154187879 0.16596640365294 0.97884659580370 15.999 > 28 56 O 0.68725154187879 0.16596640365294 0.97884659580370 15.999 > 28 *57 P 0.32947504654915 0.19925655147782 0.98066461394297 30.974 > 29 58 P 0.82947504654915 0.19925655147782 0.98066461394297 30.974 > 29 59 P 0.32947504654915 0.30074344852218 0.48066461394297 30.974 > 30 60 P 0.82947504654915 0.30074344852218 0.48066461394297 30.974 > 30 61 P 0.17052495345085 0.80074344852218 0.01933538605703 30.974 > 31 62 P 0.67052495345085 0.80074344852218 0.01933538605703 30.974 > 31 63 P 0.17052495345085 0.69925655147782 0.51933538605703 30.974 > 32 64 P 0.67052495345085 0.69925655147782 0.51933538605703 30.974 > 32 *65 P 0.29122011673835 0.46539023345934 0.83493459720279 30.974 > 33 66 P 0.79122011673835 0.46539023345934 0.83493459720279 30.974 > 33 67 P 0.29122011673835 0.03460976654066 0.33493459720279 30.974 > 34 68 P 0.79122011673835 0.03460976654066 0.33493459720279 30.974 > 34 69 P 0.20877988326165 0.53460976654066 0.16506540279721 30.974 > 35 70 P 0.70877988326165 0.53460976654066 0.16506540279721 30.974 > 35 71 P 0.20877988326165 0.96539023345934 0.66506540279721 30.974 > 36 72 P 0.70877988326165 0.96539023345934 0.66506540279721 30.974 > 36 *73 Zn 0.36301819425192 0.64972007659336 0.39459978577979 65.380 > 37 74 Zn 0.86301819425192 0.64972007659336 0.39459978577979 65.380 > 37 75 Zn 0.13698180574808 0.35027992340664 0.60540021422021 65.380 > 38 76 Zn 0.63698180574808 0.35027992340664 0.60540021422021 65.380 > 38 77 Zn 0.36301819425192 0.85027992340664 0.89459978577979 65.380 > 39 78 Zn 0.86301819425192 0.85027992340664 0.89459978577979 65.380 > 39 79 Zn 0.13698180574808 0.14972007659336 0.10540021422021 65.380 > 40 80 Zn 0.63698180574808 0.14972007659336 0.10540021422021 65.380 > 40 *81 Pb 0.00788881491590 0.67164413577041 0.72145481985352 207.200 > 41 82 Pb 0.50788881491590 0.67164413577041 0.72145481985352 207.200 > 41 83 Pb 0.49211118508410 0.17164413577041 0.77854518014648 207.200 > 42 84 Pb 0.99211118508410 0.17164413577041 0.77854518014648 207.200 > 42 85 Pb 0.49211118508410 0.32835586422959 0.27854518014648 207.200 > 43 86 Pb 0.99211118508410 0.32835586422959 0.27854518014648 207.200 > 43 87 Pb 0.00788881491590 0.82835586422959 0.22145481985352 207.200 > 44 88 Pb 0.50788881491590 0.82835586422959 0.22145481985352 207.200 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5667613 0.0000000 -0.0344289 0.0000000 3.4680909 0.0000000 -0.0344282 0.0000000 3.3944564 -------------------------- Born effective charges -------------------------- 1 O -2.6685987 0.2284336 0.5622160 0.1562614 -2.1336802 0.1348017 0.5528671 0.0576670 -1.0597531 2 O -2.6685987 -0.2284336 0.5622160 -0.1562614 -2.1336802 -0.1348017 0.5528671 -0.0576670 -1.0597531 3 O -2.6685987 0.2284336 0.5622160 0.1562614 -2.1336802 0.1348017 0.5528671 0.0576670 -1.0597531 4 O -2.6685987 -0.2284336 0.5622160 -0.1562614 -2.1336802 -0.1348017 0.5528671 -0.0576670 -1.0597531 5 O -1.7315964 0.3067583 -0.3217500 0.3931997 -2.5951187 -0.1869713 -0.3093718 -0.2530085 -1.3212709 6 O -1.7315964 -0.3067583 -0.3217500 -0.3931997 -2.5951187 0.1869713 -0.3093718 0.2530085 -1.3212709 7 O -1.7315964 0.3067583 -0.3217500 0.3931997 -2.5951187 -0.1869713 -0.3093718 -0.2530085 -1.3212709 8 O -1.7315964 -0.3067583 -0.3217500 -0.3931997 -2.5951187 0.1869713 -0.3093718 0.2530085 -1.3212709 9 O -2.1501766 -0.5659789 -0.4866922 -0.3669379 -1.9091038 -0.1369243 -0.3409436 -0.2425270 -1.7059931 10 O -2.1501766 0.5659789 -0.4866922 0.3669379 -1.9091038 0.1369243 -0.3409436 0.2425270 -1.7059931 11 O -2.1501766 -0.5659789 -0.4866922 -0.3669379 -1.9091038 -0.1369243 -0.3409436 -0.2425270 -1.7059931 12 O -2.1501766 0.5659789 -0.4866922 0.3669379 -1.9091038 0.1369243 -0.3409436 0.2425270 -1.7059931 13 O -1.7584934 0.2679412 0.7283723 0.2546422 -1.8349180 -0.4297234 0.6755590 -0.2127373 -1.9312685 14 O -1.7584934 -0.2679412 0.7283723 -0.2546422 -1.8349180 0.4297234 0.6755590 0.2127373 -1.9312685 15 O -1.7584934 0.2679412 0.7283723 0.2546422 -1.8349180 -0.4297234 0.6755590 -0.2127373 -1.9312685 16 O -1.7584934 -0.2679412 0.7283723 -0.2546422 -1.8349180 0.4297234 0.6755590 0.2127373 -1.9312685 17 O -1.8005113 -0.1507464 -0.4417722 -0.1509213 -1.1322941 0.1105135 -0.7265062 0.0730659 -2.6080492 18 O -1.8005113 0.1507464 -0.4417722 0.1509213 -1.1322941 -0.1105135 -0.7265062 -0.0730659 -2.6080492 19 O -1.8005113 -0.1507464 -0.4417722 -0.1509213 -1.1322941 0.1105135 -0.7265062 0.0730659 -2.6080492 20 O -1.8005113 0.1507464 -0.4417722 0.1509213 -1.1322941 -0.1105135 -0.7265062 -0.0730659 -2.6080492 21 O -0.9910732 0.1578038 0.1766136 0.2100671 -2.3140785 -1.0420534 0.1918933 -1.1427346 -2.1284827 22 O -0.9910732 -0.1578038 0.1766136 -0.2100671 -2.3140785 1.0420534 0.1918933 1.1427346 -2.1284827 23 O -0.9910732 0.1578038 0.1766136 0.2100671 -2.3140785 -1.0420534 0.1918933 -1.1427346 -2.1284827 24 O -0.9910732 -0.1578038 0.1766136 -0.2100671 -2.3140785 1.0420534 0.1918933 1.1427346 -2.1284827 25 O -2.4697937 0.2492639 -0.0577123 0.2630570 -1.0893947 0.0168003 0.1362383 -0.1316237 -1.8579046 26 O -2.4697937 -0.2492639 -0.0577123 -0.2630570 -1.0893947 -0.0168003 0.1362383 0.1316237 -1.8579046 27 O -2.4697937 0.2492639 -0.0577123 0.2630570 -1.0893947 0.0168003 0.1362383 -0.1316237 -1.8579046 28 O -2.4697937 -0.2492639 -0.0577123 -0.2630570 -1.0893947 -0.0168003 0.1362383 0.1316237 -1.8579046 29 P 3.7102915 -0.0655928 0.0933053 -0.0308080 3.4203695 0.1516877 0.1528933 -0.5903672 3.8577715 30 P 3.7102915 0.0655928 0.0933053 0.0308080 3.4203695 -0.1516877 0.1528933 0.5903672 3.8577715 31 P 3.7102915 -0.0655928 0.0933053 -0.0308080 3.4203695 0.1516877 0.1528933 -0.5903672 3.8577715 32 P 3.7102915 0.0655928 0.0933053 0.0308080 3.4203695 -0.1516877 0.1528933 0.5903672 3.8577715 33 P 3.9477103 -0.2756336 0.0762784 -0.3215515 3.5703692 -0.4608209 -0.1328622 -0.1031687 3.3997294 34 P 3.9477103 0.2756336 0.0762784 0.3215515 3.5703692 0.4608209 -0.1328622 0.1031687 3.3997294 35 P 3.9477103 -0.2756336 0.0762784 -0.3215515 3.5703692 -0.4608209 -0.1328622 -0.1031687 3.3997294 36 P 3.9477103 0.2756336 0.0762784 0.3215515 3.5703692 0.4608209 -0.1328622 0.1031687 3.3997294 37 Zn 2.2658273 -0.1566031 -0.3251014 -0.1984906 2.4935678 -0.0897833 -0.1448827 -0.1885365 2.3543720 38 Zn 2.2658273 -0.1566031 -0.3251014 -0.1984906 2.4935678 -0.0897833 -0.1448827 -0.1885365 2.3543720 39 Zn 2.2658273 0.1566031 -0.3251014 0.1984906 2.4935678 0.0897833 -0.1448827 0.1885365 2.3543720 40 Zn 2.2658273 0.1566031 -0.3251014 0.1984906 2.4935678 0.0897833 -0.1448827 0.1885365 2.3543720 41 Pb 3.6464142 0.0380408 -0.0037576 -0.1220221 3.5242815 -0.2245202 -0.0548846 0.0928033 3.0008492 42 Pb 3.6464142 -0.0380408 -0.0037576 0.1220221 3.5242815 0.2245202 -0.0548846 -0.0928033 3.0008492 43 Pb 3.6464142 0.0380408 -0.0037576 -0.1220221 3.5242815 -0.2245202 -0.0548846 0.0928033 3.0008492 44 Pb 3.6464142 -0.0380408 -0.0037576 0.1220221 3.5242815 0.2245202 -0.0548846 -0.0928033 3.0008492 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1360 - Time: 1.029 Solver_block: 200 / 1360 - Time: 0.812 Solver_block: 300 / 1360 - Time: 0.835 Solver_block: 400 / 1360 - Time: 0.793 Solver_block: 500 / 1360 - Time: 1.886 Solver_block: 600 / 1360 - Time: 2.277 Solver_block: 700 / 1360 - Time: 1.581 Solver_block: 800 / 1360 - Time: 0.885 Solver_block: 900 / 1360 - Time: 0.825 Solver_block: 1000 / 1360 - Time: 0.801 Solver_block: 1100 / 1360 - Time: 0.811 Solver_block: 1200 / 1360 - Time: 0.822 Solver_block: 1300 / 1360 - Time: 1.173 Solver_block: 1360 / 1360 - Time: 1.223 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.730 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:57:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:57:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.328503811778716 0.000000000000000 0.000000000000000 b 0.000000000000000 8.280765060000002 0.000000000000000 c -5.273670373155775 0.000000000000000 12.866950991103325 Atomic positions (fractional): 1 O 0.81963473704177 0.44107915521619 0.80051568769014 15.999 2 O 0.18036526295823 0.94107915521619 0.69948431230986 15.999 3 O 0.18036526295823 0.55892084478381 0.19948431230986 15.999 4 O 0.81963473704177 0.05892084478381 0.30051568769014 15.999 5 O 0.51891132606738 0.64241276335150 0.84664311591680 15.999 6 O 0.48108867393262 0.14241276335150 0.65335688408320 15.999 7 O 0.48108867393262 0.35758723664850 0.15335688408320 15.999 8 O 0.51891132606738 0.85758723664850 0.34664311591680 15.999 9 O 0.32202158752789 0.38108628700997 0.76211085317192 15.999 10 O 0.67797841247211 0.88108628700997 0.73788914682808 15.999 11 O 0.67797841247211 0.61891371299003 0.23788914682808 15.999 12 O 0.32202158752789 0.11891371299003 0.26211085317192 15.999 13 O 0.71792309271031 0.09797801375748 0.89865830559513 15.999 14 O 0.28207690728969 0.59797801375748 0.60134169440487 15.999 15 O 0.28207690728969 0.90202198624252 0.10134169440487 15.999 16 O 0.71792309271031 0.40202198624252 0.39865830559513 15.999 17 O 0.88794768034754 0.31237368601302 0.58828147940519 15.999 18 O 0.11205231965246 0.81237368601302 0.91171852059481 15.999 19 O 0.11205231965246 0.68762631398698 0.41171852059481 15.999 20 O 0.88794768034754 0.18762631398698 0.08828147940519 15.999 21 O 0.66536221123853 0.11353809162666 0.44846965128789 15.999 22 O 0.33463778876147 0.61353809162666 0.05153034871211 15.999 23 O 0.33463778876147 0.88646190837334 0.55153034871211 15.999 24 O 0.66536221123853 0.38646190837334 0.94846965128789 15.999 25 O 0.37450308375759 0.33403359634706 0.47884659580370 15.999 26 O 0.62549691624241 0.83403359634706 0.02115340419630 15.999 27 O 0.62549691624241 0.66596640365294 0.52115340419630 15.999 28 O 0.37450308375759 0.16596640365294 0.97884659580370 15.999 29 P 0.65895009309830 0.19925655147782 0.98066461394297 30.974 30 P 0.65895009309830 0.30074344852218 0.48066461394297 30.974 31 P 0.34104990690170 0.80074344852218 0.01933538605703 30.974 32 P 0.34104990690170 0.69925655147782 0.51933538605703 30.974 33 P 0.58244023347670 0.46539023345934 0.83493459720279 30.974 34 P 0.58244023347670 0.03460976654066 0.33493459720279 30.974 35 P 0.41755976652330 0.53460976654066 0.16506540279721 30.974 36 P 0.41755976652330 0.96539023345934 0.66506540279721 30.974 37 Zn 0.72603638850383 0.64972007659336 0.39459978577979 65.380 38 Zn 0.27396361149617 0.35027992340664 0.60540021422021 65.380 39 Zn 0.72603638850383 0.85027992340664 0.89459978577979 65.380 40 Zn 0.27396361149617 0.14972007659336 0.10540021422021 65.380 41 Pb 0.01577762983181 0.67164413577041 0.72145481985352 207.200 42 Pb 0.98422237016819 0.17164413577041 0.77854518014648 207.200 43 Pb 0.98422237016819 0.32835586422959 0.27854518014648 207.200 44 Pb 0.01577762983181 0.82835586422959 0.22145481985352 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.657007623557432 0.000000000000000 0.000000000000000 b 0.000000000000000 8.280765060000002 0.000000000000000 c -5.273670373155775 0.000000000000000 12.866950991103325 Atomic positions (fractional): 1 O 0.40981736852088 0.44107915521619 0.80051568769014 15.999 > 1 2 O 0.90981736852088 0.44107915521619 0.80051568769014 15.999 > 1 3 O 0.09018263147912 0.94107915521619 0.69948431230986 15.999 > 3 4 O 0.59018263147912 0.94107915521619 0.69948431230986 15.999 > 3 5 O 0.09018263147912 0.55892084478381 0.19948431230986 15.999 > 5 6 O 0.59018263147912 0.55892084478381 0.19948431230986 15.999 > 5 7 O 0.40981736852088 0.05892084478381 0.30051568769014 15.999 > 7 8 O 0.90981736852088 0.05892084478381 0.30051568769014 15.999 > 7 9 O 0.25945566303369 0.64241276335150 0.84664311591680 15.999 > 9 10 O 0.75945566303369 0.64241276335150 0.84664311591680 15.999 > 9 11 O 0.24054433696631 0.14241276335150 0.65335688408320 15.999 > 11 12 O 0.74054433696631 0.14241276335150 0.65335688408320 15.999 > 11 13 O 0.24054433696631 0.35758723664850 0.15335688408320 15.999 > 13 14 O 0.74054433696631 0.35758723664850 0.15335688408320 15.999 > 13 15 O 0.25945566303369 0.85758723664850 0.34664311591680 15.999 > 15 16 O 0.75945566303369 0.85758723664850 0.34664311591680 15.999 > 15 17 O 0.16101079376394 0.38108628700997 0.76211085317192 15.999 > 17 18 O 0.66101079376394 0.38108628700997 0.76211085317192 15.999 > 17 19 O 0.33898920623606 0.88108628700997 0.73788914682808 15.999 > 19 20 O 0.83898920623606 0.88108628700997 0.73788914682808 15.999 > 19 21 O 0.33898920623606 0.61891371299003 0.23788914682808 15.999 > 21 22 O 0.83898920623606 0.61891371299003 0.23788914682808 15.999 > 21 23 O 0.16101079376394 0.11891371299003 0.26211085317192 15.999 > 23 24 O 0.66101079376394 0.11891371299003 0.26211085317192 15.999 > 23 25 O 0.35896154635515 0.09797801375748 0.89865830559513 15.999 > 25 26 O 0.85896154635515 0.09797801375748 0.89865830559513 15.999 > 25 27 O 0.14103845364485 0.59797801375748 0.60134169440487 15.999 > 27 28 O 0.64103845364485 0.59797801375748 0.60134169440487 15.999 > 27 29 O 0.14103845364485 0.90202198624252 0.10134169440487 15.999 > 29 30 O 0.64103845364485 0.90202198624252 0.10134169440487 15.999 > 29 31 O 0.35896154635515 0.40202198624252 0.39865830559513 15.999 > 31 32 O 0.85896154635515 0.40202198624252 0.39865830559513 15.999 > 31 33 O 0.44397384017377 0.31237368601302 0.58828147940519 15.999 > 33 34 O 0.94397384017377 0.31237368601302 0.58828147940519 15.999 > 33 35 O 0.05602615982623 0.81237368601302 0.91171852059481 15.999 > 35 36 O 0.55602615982623 0.81237368601302 0.91171852059481 15.999 > 35 37 O 0.05602615982623 0.68762631398698 0.41171852059481 15.999 > 37 38 O 0.55602615982623 0.68762631398698 0.41171852059481 15.999 > 37 39 O 0.44397384017377 0.18762631398698 0.08828147940519 15.999 > 39 40 O 0.94397384017377 0.18762631398698 0.08828147940519 15.999 > 39 41 O 0.33268110561926 0.11353809162666 0.44846965128789 15.999 > 41 42 O 0.83268110561926 0.11353809162666 0.44846965128789 15.999 > 41 43 O 0.16731889438074 0.61353809162666 0.05153034871211 15.999 > 43 44 O 0.66731889438074 0.61353809162666 0.05153034871211 15.999 > 43 45 O 0.16731889438074 0.88646190837334 0.55153034871211 15.999 > 45 46 O 0.66731889438074 0.88646190837334 0.55153034871211 15.999 > 45 47 O 0.33268110561926 0.38646190837334 0.94846965128789 15.999 > 47 48 O 0.83268110561926 0.38646190837334 0.94846965128789 15.999 > 47 49 O 0.18725154187879 0.33403359634706 0.47884659580370 15.999 > 49 50 O 0.68725154187879 0.33403359634706 0.47884659580370 15.999 > 49 51 O 0.31274845812121 0.83403359634706 0.02115340419630 15.999 > 51 52 O 0.81274845812121 0.83403359634706 0.02115340419630 15.999 > 51 53 O 0.31274845812121 0.66596640365294 0.52115340419630 15.999 > 53 54 O 0.81274845812121 0.66596640365294 0.52115340419630 15.999 > 53 55 O 0.18725154187879 0.16596640365294 0.97884659580370 15.999 > 55 56 O 0.68725154187879 0.16596640365294 0.97884659580370 15.999 > 55 57 P 0.32947504654915 0.19925655147782 0.98066461394297 30.974 > 57 58 P 0.82947504654915 0.19925655147782 0.98066461394297 30.974 > 57 59 P 0.32947504654915 0.30074344852218 0.48066461394297 30.974 > 59 60 P 0.82947504654915 0.30074344852218 0.48066461394297 30.974 > 59 61 P 0.17052495345085 0.80074344852218 0.01933538605703 30.974 > 61 62 P 0.67052495345085 0.80074344852218 0.01933538605703 30.974 > 61 63 P 0.17052495345085 0.69925655147782 0.51933538605703 30.974 > 63 64 P 0.67052495345085 0.69925655147782 0.51933538605703 30.974 > 63 65 P 0.29122011673835 0.46539023345934 0.83493459720279 30.974 > 65 66 P 0.79122011673835 0.46539023345934 0.83493459720279 30.974 > 65 67 P 0.29122011673835 0.03460976654066 0.33493459720279 30.974 > 67 68 P 0.79122011673835 0.03460976654066 0.33493459720279 30.974 > 67 69 P 0.20877988326165 0.53460976654066 0.16506540279721 30.974 > 69 70 P 0.70877988326165 0.53460976654066 0.16506540279721 30.974 > 69 71 P 0.20877988326165 0.96539023345934 0.66506540279721 30.974 > 71 72 P 0.70877988326165 0.96539023345934 0.66506540279721 30.974 > 71 73 Zn 0.36301819425192 0.64972007659336 0.39459978577979 65.380 > 73 74 Zn 0.86301819425192 0.64972007659336 0.39459978577979 65.380 > 73 75 Zn 0.13698180574808 0.35027992340664 0.60540021422021 65.380 > 75 76 Zn 0.63698180574808 0.35027992340664 0.60540021422021 65.380 > 75 77 Zn 0.36301819425192 0.85027992340664 0.89459978577979 65.380 > 77 78 Zn 0.86301819425192 0.85027992340664 0.89459978577979 65.380 > 77 79 Zn 0.13698180574808 0.14972007659336 0.10540021422021 65.380 > 79 80 Zn 0.63698180574808 0.14972007659336 0.10540021422021 65.380 > 79 81 Pb 0.00788881491590 0.67164413577041 0.72145481985352 207.200 > 81 82 Pb 0.50788881491590 0.67164413577041 0.72145481985352 207.200 > 81 83 Pb 0.49211118508410 0.17164413577041 0.77854518014648 207.200 > 83 84 Pb 0.99211118508410 0.17164413577041 0.77854518014648 207.200 > 83 85 Pb 0.49211118508410 0.32835586422959 0.27854518014648 207.200 > 85 86 Pb 0.99211118508410 0.32835586422959 0.27854518014648 207.200 > 85 87 Pb 0.00788881491590 0.82835586422959 0.22145481985352 207.200 > 87 88 Pb 0.50788881491590 0.82835586422959 0.22145481985352 207.200 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5667613 0.0000000 -0.0344289 0.0000000 3.4680909 0.0000000 -0.0344282 0.0000000 3.3944564 -------------------------- Born effective charges -------------------------- 1 O -2.6685987 0.2284336 0.5622160 0.1562614 -2.1336802 0.1348017 0.5528671 0.0576670 -1.0597531 2 O -2.6685987 -0.2284336 0.5622160 -0.1562614 -2.1336802 -0.1348017 0.5528671 -0.0576670 -1.0597531 3 O -2.6685987 0.2284336 0.5622160 0.1562614 -2.1336802 0.1348017 0.5528671 0.0576670 -1.0597531 4 O -2.6685987 -0.2284336 0.5622160 -0.1562614 -2.1336802 -0.1348017 0.5528671 -0.0576670 -1.0597531 5 O -1.7315964 0.3067583 -0.3217500 0.3931997 -2.5951187 -0.1869713 -0.3093718 -0.2530085 -1.3212709 6 O -1.7315964 -0.3067583 -0.3217500 -0.3931997 -2.5951187 0.1869713 -0.3093718 0.2530085 -1.3212709 7 O -1.7315964 0.3067583 -0.3217500 0.3931997 -2.5951187 -0.1869713 -0.3093718 -0.2530085 -1.3212709 8 O -1.7315964 -0.3067583 -0.3217500 -0.3931997 -2.5951187 0.1869713 -0.3093718 0.2530085 -1.3212709 9 O -2.1501766 -0.5659789 -0.4866922 -0.3669379 -1.9091038 -0.1369243 -0.3409436 -0.2425270 -1.7059931 10 O -2.1501766 0.5659789 -0.4866922 0.3669379 -1.9091038 0.1369243 -0.3409436 0.2425270 -1.7059931 11 O -2.1501766 -0.5659789 -0.4866922 -0.3669379 -1.9091038 -0.1369243 -0.3409436 -0.2425270 -1.7059931 12 O -2.1501766 0.5659789 -0.4866922 0.3669379 -1.9091038 0.1369243 -0.3409436 0.2425270 -1.7059931 13 O -1.7584934 0.2679412 0.7283723 0.2546422 -1.8349180 -0.4297234 0.6755590 -0.2127373 -1.9312685 14 O -1.7584934 -0.2679412 0.7283723 -0.2546422 -1.8349180 0.4297234 0.6755590 0.2127373 -1.9312685 15 O -1.7584934 0.2679412 0.7283723 0.2546422 -1.8349180 -0.4297234 0.6755590 -0.2127373 -1.9312685 16 O -1.7584934 -0.2679412 0.7283723 -0.2546422 -1.8349180 0.4297234 0.6755590 0.2127373 -1.9312685 17 O -1.8005113 -0.1507464 -0.4417722 -0.1509213 -1.1322941 0.1105135 -0.7265062 0.0730659 -2.6080492 18 O -1.8005113 0.1507464 -0.4417722 0.1509213 -1.1322941 -0.1105135 -0.7265062 -0.0730659 -2.6080492 19 O -1.8005113 -0.1507464 -0.4417722 -0.1509213 -1.1322941 0.1105135 -0.7265062 0.0730659 -2.6080492 20 O -1.8005113 0.1507464 -0.4417722 0.1509213 -1.1322941 -0.1105135 -0.7265062 -0.0730659 -2.6080492 21 O -0.9910732 0.1578038 0.1766136 0.2100671 -2.3140785 -1.0420534 0.1918933 -1.1427346 -2.1284827 22 O -0.9910732 -0.1578038 0.1766136 -0.2100671 -2.3140785 1.0420534 0.1918933 1.1427346 -2.1284827 23 O -0.9910732 0.1578038 0.1766136 0.2100671 -2.3140785 -1.0420534 0.1918933 -1.1427346 -2.1284827 24 O -0.9910732 -0.1578038 0.1766136 -0.2100671 -2.3140785 1.0420534 0.1918933 1.1427346 -2.1284827 25 O -2.4697937 0.2492639 -0.0577123 0.2630570 -1.0893947 0.0168003 0.1362383 -0.1316237 -1.8579046 26 O -2.4697937 -0.2492639 -0.0577123 -0.2630570 -1.0893947 -0.0168003 0.1362383 0.1316237 -1.8579046 27 O -2.4697937 0.2492639 -0.0577123 0.2630570 -1.0893947 0.0168003 0.1362383 -0.1316237 -1.8579046 28 O -2.4697937 -0.2492639 -0.0577123 -0.2630570 -1.0893947 -0.0168003 0.1362383 0.1316237 -1.8579046 29 P 3.7102915 -0.0655928 0.0933053 -0.0308080 3.4203695 0.1516877 0.1528933 -0.5903672 3.8577715 30 P 3.7102915 0.0655928 0.0933053 0.0308080 3.4203695 -0.1516877 0.1528933 0.5903672 3.8577715 31 P 3.7102915 -0.0655928 0.0933053 -0.0308080 3.4203695 0.1516877 0.1528933 -0.5903672 3.8577715 32 P 3.7102915 0.0655928 0.0933053 0.0308080 3.4203695 -0.1516877 0.1528933 0.5903672 3.8577715 33 P 3.9477103 -0.2756336 0.0762784 -0.3215515 3.5703692 -0.4608209 -0.1328622 -0.1031687 3.3997294 34 P 3.9477103 0.2756336 0.0762784 0.3215515 3.5703692 0.4608209 -0.1328622 0.1031687 3.3997294 35 P 3.9477103 -0.2756336 0.0762784 -0.3215515 3.5703692 -0.4608209 -0.1328622 -0.1031687 3.3997294 36 P 3.9477103 0.2756336 0.0762784 0.3215515 3.5703692 0.4608209 -0.1328622 0.1031687 3.3997294 37 Zn 2.2658273 -0.1566031 -0.3251014 -0.1984906 2.4935678 -0.0897833 -0.1448827 -0.1885365 2.3543720 38 Zn 2.2658273 -0.1566031 -0.3251014 -0.1984906 2.4935678 -0.0897833 -0.1448827 -0.1885365 2.3543720 39 Zn 2.2658273 0.1566031 -0.3251014 0.1984906 2.4935678 0.0897833 -0.1448827 0.1885365 2.3543720 40 Zn 2.2658273 0.1566031 -0.3251014 0.1984906 2.4935678 0.0897833 -0.1448827 0.1885365 2.3543720 41 Pb 3.6464142 0.0380408 -0.0037576 -0.1220221 3.5242815 -0.2245202 -0.0548846 0.0928033 3.0008492 42 Pb 3.6464142 -0.0380408 -0.0037576 0.1220221 3.5242815 0.2245202 -0.0548846 -0.0928033 3.0008492 43 Pb 3.6464142 0.0380408 -0.0037576 -0.1220221 3.5242815 -0.2245202 -0.0548846 0.0928033 3.0008492 44 Pb 3.6464142 -0.0380408 -0.0037576 0.1220221 3.5242815 0.2245202 -0.0548846 -0.0928033 3.0008492 ---------------------------------------------------------------------------- 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 9, 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 81, 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:57:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:57:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.328503811778716 0.000000000000000 0.000000000000000 b 0.000000000000000 8.280765060000002 0.000000000000000 c -5.273670373155775 0.000000000000000 12.866950991103325 Atomic positions (fractional): 1 O 0.81963473704177 0.44107915521619 0.80051568769014 15.999 2 O 0.18036526295823 0.94107915521619 0.69948431230986 15.999 3 O 0.18036526295823 0.55892084478381 0.19948431230986 15.999 4 O 0.81963473704177 0.05892084478381 0.30051568769014 15.999 5 O 0.51891132606738 0.64241276335150 0.84664311591680 15.999 6 O 0.48108867393262 0.14241276335150 0.65335688408320 15.999 7 O 0.48108867393262 0.35758723664850 0.15335688408320 15.999 8 O 0.51891132606738 0.85758723664850 0.34664311591680 15.999 9 O 0.32202158752789 0.38108628700997 0.76211085317192 15.999 10 O 0.67797841247211 0.88108628700997 0.73788914682808 15.999 11 O 0.67797841247211 0.61891371299003 0.23788914682808 15.999 12 O 0.32202158752789 0.11891371299003 0.26211085317192 15.999 13 O 0.71792309271031 0.09797801375748 0.89865830559513 15.999 14 O 0.28207690728969 0.59797801375748 0.60134169440487 15.999 15 O 0.28207690728969 0.90202198624252 0.10134169440487 15.999 16 O 0.71792309271031 0.40202198624252 0.39865830559513 15.999 17 O 0.88794768034754 0.31237368601302 0.58828147940519 15.999 18 O 0.11205231965246 0.81237368601302 0.91171852059481 15.999 19 O 0.11205231965246 0.68762631398698 0.41171852059481 15.999 20 O 0.88794768034754 0.18762631398698 0.08828147940519 15.999 21 O 0.66536221123853 0.11353809162666 0.44846965128789 15.999 22 O 0.33463778876147 0.61353809162666 0.05153034871211 15.999 23 O 0.33463778876147 0.88646190837334 0.55153034871211 15.999 24 O 0.66536221123853 0.38646190837334 0.94846965128789 15.999 25 O 0.37450308375759 0.33403359634706 0.47884659580370 15.999 26 O 0.62549691624241 0.83403359634706 0.02115340419630 15.999 27 O 0.62549691624241 0.66596640365294 0.52115340419630 15.999 28 O 0.37450308375759 0.16596640365294 0.97884659580370 15.999 29 P 0.65895009309830 0.19925655147782 0.98066461394297 30.974 30 P 0.65895009309830 0.30074344852218 0.48066461394297 30.974 31 P 0.34104990690170 0.80074344852218 0.01933538605703 30.974 32 P 0.34104990690170 0.69925655147782 0.51933538605703 30.974 33 P 0.58244023347670 0.46539023345934 0.83493459720279 30.974 34 P 0.58244023347670 0.03460976654066 0.33493459720279 30.974 35 P 0.41755976652330 0.53460976654066 0.16506540279721 30.974 36 P 0.41755976652330 0.96539023345934 0.66506540279721 30.974 37 Zn 0.72603638850383 0.64972007659336 0.39459978577979 65.380 38 Zn 0.27396361149617 0.35027992340664 0.60540021422021 65.380 39 Zn 0.72603638850383 0.85027992340664 0.89459978577979 65.380 40 Zn 0.27396361149617 0.14972007659336 0.10540021422021 65.380 41 Pb 0.01577762983181 0.67164413577041 0.72145481985352 207.200 42 Pb 0.98422237016819 0.17164413577041 0.77854518014648 207.200 43 Pb 0.98422237016819 0.32835586422959 0.27854518014648 207.200 44 Pb 0.01577762983181 0.82835586422959 0.22145481985352 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.657007623557432 0.000000000000000 0.000000000000000 b 0.000000000000000 8.280765060000002 0.000000000000000 c -5.273670373155775 0.000000000000000 12.866950991103325 Atomic positions (fractional): 1 O 0.40981736852088 0.44107915521619 0.80051568769014 15.999 > 1 2 O 0.90981736852088 0.44107915521619 0.80051568769014 15.999 > 1 3 O 0.09018263147912 0.94107915521619 0.69948431230986 15.999 > 3 4 O 0.59018263147912 0.94107915521619 0.69948431230986 15.999 > 3 5 O 0.09018263147912 0.55892084478381 0.19948431230986 15.999 > 5 6 O 0.59018263147912 0.55892084478381 0.19948431230986 15.999 > 5 7 O 0.40981736852088 0.05892084478381 0.30051568769014 15.999 > 7 8 O 0.90981736852088 0.05892084478381 0.30051568769014 15.999 > 7 9 O 0.25945566303369 0.64241276335150 0.84664311591680 15.999 > 9 10 O 0.75945566303369 0.64241276335150 0.84664311591680 15.999 > 9 11 O 0.24054433696631 0.14241276335150 0.65335688408320 15.999 > 11 12 O 0.74054433696631 0.14241276335150 0.65335688408320 15.999 > 11 13 O 0.24054433696631 0.35758723664850 0.15335688408320 15.999 > 13 14 O 0.74054433696631 0.35758723664850 0.15335688408320 15.999 > 13 15 O 0.25945566303369 0.85758723664850 0.34664311591680 15.999 > 15 16 O 0.75945566303369 0.85758723664850 0.34664311591680 15.999 > 15 17 O 0.16101079376394 0.38108628700997 0.76211085317192 15.999 > 17 18 O 0.66101079376394 0.38108628700997 0.76211085317192 15.999 > 17 19 O 0.33898920623606 0.88108628700997 0.73788914682808 15.999 > 19 20 O 0.83898920623606 0.88108628700997 0.73788914682808 15.999 > 19 21 O 0.33898920623606 0.61891371299003 0.23788914682808 15.999 > 21 22 O 0.83898920623606 0.61891371299003 0.23788914682808 15.999 > 21 23 O 0.16101079376394 0.11891371299003 0.26211085317192 15.999 > 23 24 O 0.66101079376394 0.11891371299003 0.26211085317192 15.999 > 23 25 O 0.35896154635515 0.09797801375748 0.89865830559513 15.999 > 25 26 O 0.85896154635515 0.09797801375748 0.89865830559513 15.999 > 25 27 O 0.14103845364485 0.59797801375748 0.60134169440487 15.999 > 27 28 O 0.64103845364485 0.59797801375748 0.60134169440487 15.999 > 27 29 O 0.14103845364485 0.90202198624252 0.10134169440487 15.999 > 29 30 O 0.64103845364485 0.90202198624252 0.10134169440487 15.999 > 29 31 O 0.35896154635515 0.40202198624252 0.39865830559513 15.999 > 31 32 O 0.85896154635515 0.40202198624252 0.39865830559513 15.999 > 31 33 O 0.44397384017377 0.31237368601302 0.58828147940519 15.999 > 33 34 O 0.94397384017377 0.31237368601302 0.58828147940519 15.999 > 33 35 O 0.05602615982623 0.81237368601302 0.91171852059481 15.999 > 35 36 O 0.55602615982623 0.81237368601302 0.91171852059481 15.999 > 35 37 O 0.05602615982623 0.68762631398698 0.41171852059481 15.999 > 37 38 O 0.55602615982623 0.68762631398698 0.41171852059481 15.999 > 37 39 O 0.44397384017377 0.18762631398698 0.08828147940519 15.999 > 39 40 O 0.94397384017377 0.18762631398698 0.08828147940519 15.999 > 39 41 O 0.33268110561926 0.11353809162666 0.44846965128789 15.999 > 41 42 O 0.83268110561926 0.11353809162666 0.44846965128789 15.999 > 41 43 O 0.16731889438074 0.61353809162666 0.05153034871211 15.999 > 43 44 O 0.66731889438074 0.61353809162666 0.05153034871211 15.999 > 43 45 O 0.16731889438074 0.88646190837334 0.55153034871211 15.999 > 45 46 O 0.66731889438074 0.88646190837334 0.55153034871211 15.999 > 45 47 O 0.33268110561926 0.38646190837334 0.94846965128789 15.999 > 47 48 O 0.83268110561926 0.38646190837334 0.94846965128789 15.999 > 47 49 O 0.18725154187879 0.33403359634706 0.47884659580370 15.999 > 49 50 O 0.68725154187879 0.33403359634706 0.47884659580370 15.999 > 49 51 O 0.31274845812121 0.83403359634706 0.02115340419630 15.999 > 51 52 O 0.81274845812121 0.83403359634706 0.02115340419630 15.999 > 51 53 O 0.31274845812121 0.66596640365294 0.52115340419630 15.999 > 53 54 O 0.81274845812121 0.66596640365294 0.52115340419630 15.999 > 53 55 O 0.18725154187879 0.16596640365294 0.97884659580370 15.999 > 55 56 O 0.68725154187879 0.16596640365294 0.97884659580370 15.999 > 55 57 P 0.32947504654915 0.19925655147782 0.98066461394297 30.974 > 57 58 P 0.82947504654915 0.19925655147782 0.98066461394297 30.974 > 57 59 P 0.32947504654915 0.30074344852218 0.48066461394297 30.974 > 59 60 P 0.82947504654915 0.30074344852218 0.48066461394297 30.974 > 59 61 P 0.17052495345085 0.80074344852218 0.01933538605703 30.974 > 61 62 P 0.67052495345085 0.80074344852218 0.01933538605703 30.974 > 61 63 P 0.17052495345085 0.69925655147782 0.51933538605703 30.974 > 63 64 P 0.67052495345085 0.69925655147782 0.51933538605703 30.974 > 63 65 P 0.29122011673835 0.46539023345934 0.83493459720279 30.974 > 65 66 P 0.79122011673835 0.46539023345934 0.83493459720279 30.974 > 65 67 P 0.29122011673835 0.03460976654066 0.33493459720279 30.974 > 67 68 P 0.79122011673835 0.03460976654066 0.33493459720279 30.974 > 67 69 P 0.20877988326165 0.53460976654066 0.16506540279721 30.974 > 69 70 P 0.70877988326165 0.53460976654066 0.16506540279721 30.974 > 69 71 P 0.20877988326165 0.96539023345934 0.66506540279721 30.974 > 71 72 P 0.70877988326165 0.96539023345934 0.66506540279721 30.974 > 71 73 Zn 0.36301819425192 0.64972007659336 0.39459978577979 65.380 > 73 74 Zn 0.86301819425192 0.64972007659336 0.39459978577979 65.380 > 73 75 Zn 0.13698180574808 0.35027992340664 0.60540021422021 65.380 > 75 76 Zn 0.63698180574808 0.35027992340664 0.60540021422021 65.380 > 75 77 Zn 0.36301819425192 0.85027992340664 0.89459978577979 65.380 > 77 78 Zn 0.86301819425192 0.85027992340664 0.89459978577979 65.380 > 77 79 Zn 0.13698180574808 0.14972007659336 0.10540021422021 65.380 > 79 80 Zn 0.63698180574808 0.14972007659336 0.10540021422021 65.380 > 79 81 Pb 0.00788881491590 0.67164413577041 0.72145481985352 207.200 > 81 82 Pb 0.50788881491590 0.67164413577041 0.72145481985352 207.200 > 81 83 Pb 0.49211118508410 0.17164413577041 0.77854518014648 207.200 > 83 84 Pb 0.99211118508410 0.17164413577041 0.77854518014648 207.200 > 83 85 Pb 0.49211118508410 0.32835586422959 0.27854518014648 207.200 > 85 86 Pb 0.99211118508410 0.32835586422959 0.27854518014648 207.200 > 85 87 Pb 0.00788881491590 0.82835586422959 0.22145481985352 207.200 > 87 88 Pb 0.50788881491590 0.82835586422959 0.22145481985352 207.200 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5667613 0.0000000 -0.0344289 0.0000000 3.4680909 0.0000000 -0.0344282 0.0000000 3.3944564 -------------------------- Born effective charges -------------------------- 1 O -2.6685987 0.2284336 0.5622160 0.1562614 -2.1336802 0.1348017 0.5528671 0.0576670 -1.0597531 2 O -2.6685987 -0.2284336 0.5622160 -0.1562614 -2.1336802 -0.1348017 0.5528671 -0.0576670 -1.0597531 3 O -2.6685987 0.2284336 0.5622160 0.1562614 -2.1336802 0.1348017 0.5528671 0.0576670 -1.0597531 4 O -2.6685987 -0.2284336 0.5622160 -0.1562614 -2.1336802 -0.1348017 0.5528671 -0.0576670 -1.0597531 5 O -1.7315964 0.3067583 -0.3217500 0.3931997 -2.5951187 -0.1869713 -0.3093718 -0.2530085 -1.3212709 6 O -1.7315964 -0.3067583 -0.3217500 -0.3931997 -2.5951187 0.1869713 -0.3093718 0.2530085 -1.3212709 7 O -1.7315964 0.3067583 -0.3217500 0.3931997 -2.5951187 -0.1869713 -0.3093718 -0.2530085 -1.3212709 8 O -1.7315964 -0.3067583 -0.3217500 -0.3931997 -2.5951187 0.1869713 -0.3093718 0.2530085 -1.3212709 9 O -2.1501766 -0.5659789 -0.4866922 -0.3669379 -1.9091038 -0.1369243 -0.3409436 -0.2425270 -1.7059931 10 O -2.1501766 0.5659789 -0.4866922 0.3669379 -1.9091038 0.1369243 -0.3409436 0.2425270 -1.7059931 11 O -2.1501766 -0.5659789 -0.4866922 -0.3669379 -1.9091038 -0.1369243 -0.3409436 -0.2425270 -1.7059931 12 O -2.1501766 0.5659789 -0.4866922 0.3669379 -1.9091038 0.1369243 -0.3409436 0.2425270 -1.7059931 13 O -1.7584934 0.2679412 0.7283723 0.2546422 -1.8349180 -0.4297234 0.6755590 -0.2127373 -1.9312685 14 O -1.7584934 -0.2679412 0.7283723 -0.2546422 -1.8349180 0.4297234 0.6755590 0.2127373 -1.9312685 15 O -1.7584934 0.2679412 0.7283723 0.2546422 -1.8349180 -0.4297234 0.6755590 -0.2127373 -1.9312685 16 O -1.7584934 -0.2679412 0.7283723 -0.2546422 -1.8349180 0.4297234 0.6755590 0.2127373 -1.9312685 17 O -1.8005113 -0.1507464 -0.4417722 -0.1509213 -1.1322941 0.1105135 -0.7265062 0.0730659 -2.6080492 18 O -1.8005113 0.1507464 -0.4417722 0.1509213 -1.1322941 -0.1105135 -0.7265062 -0.0730659 -2.6080492 19 O -1.8005113 -0.1507464 -0.4417722 -0.1509213 -1.1322941 0.1105135 -0.7265062 0.0730659 -2.6080492 20 O -1.8005113 0.1507464 -0.4417722 0.1509213 -1.1322941 -0.1105135 -0.7265062 -0.0730659 -2.6080492 21 O -0.9910732 0.1578038 0.1766136 0.2100671 -2.3140785 -1.0420534 0.1918933 -1.1427346 -2.1284827 22 O -0.9910732 -0.1578038 0.1766136 -0.2100671 -2.3140785 1.0420534 0.1918933 1.1427346 -2.1284827 23 O -0.9910732 0.1578038 0.1766136 0.2100671 -2.3140785 -1.0420534 0.1918933 -1.1427346 -2.1284827 24 O -0.9910732 -0.1578038 0.1766136 -0.2100671 -2.3140785 1.0420534 0.1918933 1.1427346 -2.1284827 25 O -2.4697937 0.2492639 -0.0577123 0.2630570 -1.0893947 0.0168003 0.1362383 -0.1316237 -1.8579046 26 O -2.4697937 -0.2492639 -0.0577123 -0.2630570 -1.0893947 -0.0168003 0.1362383 0.1316237 -1.8579046 27 O -2.4697937 0.2492639 -0.0577123 0.2630570 -1.0893947 0.0168003 0.1362383 -0.1316237 -1.8579046 28 O -2.4697937 -0.2492639 -0.0577123 -0.2630570 -1.0893947 -0.0168003 0.1362383 0.1316237 -1.8579046 29 P 3.7102915 -0.0655928 0.0933053 -0.0308080 3.4203695 0.1516877 0.1528933 -0.5903672 3.8577715 30 P 3.7102915 0.0655928 0.0933053 0.0308080 3.4203695 -0.1516877 0.1528933 0.5903672 3.8577715 31 P 3.7102915 -0.0655928 0.0933053 -0.0308080 3.4203695 0.1516877 0.1528933 -0.5903672 3.8577715 32 P 3.7102915 0.0655928 0.0933053 0.0308080 3.4203695 -0.1516877 0.1528933 0.5903672 3.8577715 33 P 3.9477103 -0.2756336 0.0762784 -0.3215515 3.5703692 -0.4608209 -0.1328622 -0.1031687 3.3997294 34 P 3.9477103 0.2756336 0.0762784 0.3215515 3.5703692 0.4608209 -0.1328622 0.1031687 3.3997294 35 P 3.9477103 -0.2756336 0.0762784 -0.3215515 3.5703692 -0.4608209 -0.1328622 -0.1031687 3.3997294 36 P 3.9477103 0.2756336 0.0762784 0.3215515 3.5703692 0.4608209 -0.1328622 0.1031687 3.3997294 37 Zn 2.2658273 -0.1566031 -0.3251014 -0.1984906 2.4935678 -0.0897833 -0.1448827 -0.1885365 2.3543720 38 Zn 2.2658273 -0.1566031 -0.3251014 -0.1984906 2.4935678 -0.0897833 -0.1448827 -0.1885365 2.3543720 39 Zn 2.2658273 0.1566031 -0.3251014 0.1984906 2.4935678 0.0897833 -0.1448827 0.1885365 2.3543720 40 Zn 2.2658273 0.1566031 -0.3251014 0.1984906 2.4935678 0.0897833 -0.1448827 0.1885365 2.3543720 41 Pb 3.6464142 0.0380408 -0.0037576 -0.1220221 3.5242815 -0.2245202 -0.0548846 0.0928033 3.0008492 42 Pb 3.6464142 -0.0380408 -0.0037576 0.1220221 3.5242815 0.2245202 -0.0548846 -0.0928033 3.0008492 43 Pb 3.6464142 0.0380408 -0.0037576 -0.1220221 3.5242815 -0.2245202 -0.0548846 0.0928033 3.0008492 44 Pb 3.6464142 -0.0380408 -0.0037576 0.1220221 3.5242815 0.2245202 -0.0548846 -0.0928033 3.0008492 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 10 6 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 293, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.179 ( 0.000 0.000 0.000) 0.000 1.487 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 0.000 0.000) 0.000 1.600 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 0.000) 0.000 1.993 ( 0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.482 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.467 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.595 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 0.000) 0.000 5.361 ( 0.000 0.000 0.000) 0.000 5.392 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.375 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 6.611 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 6.969 ( 0.000 0.000 0.000) 0.000 7.300 ( 0.000 0.000 0.000) 0.000 7.523 ( 0.000 0.000 0.000) 0.000 7.701 ( 0.000 0.000 0.000) 0.000 7.890 ( 0.000 0.000 0.000) 0.000 7.905 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.250 ( 0.000 0.000 0.000) 0.000 8.382 ( 0.000 0.000 0.000) 0.000 8.867 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 9.248 ( 0.000 0.000 0.000) 0.000 9.416 ( 0.000 0.000 0.000) 0.000 9.824 ( 0.000 0.000 0.000) 0.000 9.998 ( 0.000 0.000 0.000) 0.000 10.030 ( 0.000 0.000 0.000) 0.000 10.208 ( 0.000 0.000 0.000) 0.000 10.445 ( 0.000 0.000 0.000) 0.000 10.448 ( 0.000 0.000 0.000) 0.000 10.537 ( 0.000 0.000 0.000) 0.000 10.574 ( 0.000 0.000 0.000) 0.000 11.115 ( 0.000 0.000 0.000) 0.000 11.148 ( 0.000 0.000 0.000) 0.000 11.904 ( 0.000 0.000 0.000) 0.000 12.166 ( 0.000 0.000 0.000) 0.000 12.417 ( 0.000 0.000 0.000) 0.000 12.528 ( 0.000 0.000 0.000) 0.000 13.935 ( 0.000 0.000 0.000) 0.000 13.995 ( 0.000 0.000 0.000) 0.000 14.014 ( 0.000 0.000 0.000) 0.000 14.023 ( 0.000 0.000 0.000) 0.000 14.464 ( 0.000 0.000 0.000) 0.000 14.738 ( 0.000 0.000 0.000) 0.000 15.067 ( 0.000 0.000 0.000) 0.000 15.152 ( 0.000 0.000 0.000) 0.000 15.372 ( 0.000 0.000 0.000) 0.000 15.387 ( 0.000 0.000 0.000) 0.000 15.531 ( 0.000 0.000 0.000) 0.000 15.531 ( 0.000 0.000 0.000) 0.000 15.554 ( 0.000 0.000 0.000) 0.000 15.624 ( 0.000 0.000 0.000) 0.000 15.752 ( 0.000 0.000 0.000) 0.000 16.004 ( 0.000 0.000 0.000) 0.000 16.138 ( 0.000 0.000 0.000) 0.000 16.418 ( 0.000 0.000 0.000) 0.000 16.435 ( 0.000 0.000 0.000) 0.000 16.497 ( 0.000 0.000 0.000) 0.000 17.434 ( 0.000 0.000 0.000) 0.000 17.761 ( 0.000 0.000 0.000) 0.000 17.801 ( 0.000 0.000 0.000) 0.000 17.820 ( 0.000 0.000 0.000) 0.000 21.037 ( 0.000 0.000 0.000) 0.000 21.089 ( 0.000 0.000 0.000) 0.000 21.639 ( 0.000 0.000 0.000) 0.000 21.714 ( 0.000 0.000 0.000) 0.000 26.819 ( 0.000 0.000 0.000) 0.000 26.984 ( 0.000 0.000 0.000) 0.000 27.249 ( 0.000 0.000 0.000) 0.000 27.318 ( 0.000 0.000 0.000) 0.000 28.864 ( 0.000 0.000 0.000) 0.000 28.938 ( 0.000 0.000 0.000) 0.000 28.972 ( 0.000 0.000 0.000) 0.000 29.053 ( 0.000 0.000 0.000) 0.000 29.558 ( 0.000 0.000 0.000) 0.000 29.569 ( 0.000 0.000 0.000) 0.000 30.100 ( 0.000 0.000 0.000) 0.000 30.137 ( 0.000 0.000 0.000) 0.000 30.318 ( 0.000 0.000 0.000) 0.000 30.411 ( 0.000 0.000 0.000) 0.000 30.799 ( 0.000 0.000 0.000) 0.000 30.823 ( 0.000 0.000 0.000) 0.000 30.891 ( 0.000 0.000 0.000) 0.000 30.897 ( 0.000 0.000 0.000) 0.000 31.245 ( 0.000 0.000 0.000) 0.000 31.409 ( 0.000 0.000 0.000) 0.000 31.460 ( 0.000 0.000 0.000) 0.000 31.503 ( 0.000 0.000 0.000) 0.000 31.691 ( 0.000 0.000 0.000) 0.000 32.391 ( 0.000 0.000 0.000) 0.000 32.448 ( 0.000 0.000 0.000) 0.000 32.849 ( 0.000 0.000 0.000) 0.000 33.045 ( 0.000 0.000 0.000) 0.000 33.348 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 23.188 0.000 2.612) 23.334 0.565 ( 21.026 0.000 18.877) 28.257 0.894 ( 35.216 0.000 10.915) 36.868 1.241 ( 9.213 0.000 0.078) 9.214 1.462 ( -1.545 0.000 -5.049) 5.280 1.551 ( 1.107 0.000 0.872) 1.409 1.624 ( 3.297 0.000 -3.104) 4.528 1.891 ( -6.132 0.000 4.316) 7.499 1.954 ( 2.786 0.000 0.438) 2.820 2.017 ( 2.294 0.000 0.106) 2.296 2.060 ( 0.131 0.000 0.416) 0.436 2.202 ( -5.279 0.000 14.521) 15.451 2.457 ( -1.546 0.000 -0.443) 1.609 2.471 ( -2.558 0.000 -0.133) 2.562 2.592 ( 16.659 0.000 -2.762) 16.887 2.834 ( 1.191 0.000 -13.175) 13.229 2.966 ( 4.157 0.000 -3.762) 5.607 3.052 ( 2.958 0.000 -4.533) 5.413 3.077 ( 0.049 0.000 13.490) 13.490 3.119 ( 5.904 0.000 -1.551) 6.104 3.247 ( 3.656 0.000 9.667) 10.335 3.301 ( -0.680 0.000 -4.319) 4.372 3.510 ( 1.470 0.000 0.726) 1.639 3.642 ( 2.900 0.000 -3.731) 4.725 3.716 ( -0.443 0.000 -1.601) 1.661 3.968 ( -0.088 0.000 -5.262) 5.262 4.011 ( 0.762 0.000 -2.413) 2.530 4.038 ( -0.979 0.000 -1.394) 1.703 4.124 ( 7.391 0.000 -8.133) 10.990 4.165 ( -8.144 0.000 -0.364) 8.152 4.255 ( 3.541 0.000 5.900) 6.881 4.271 ( 1.233 0.000 3.351) 3.571 4.470 ( 3.538 0.000 -1.008) 3.679 4.539 ( 7.657 0.000 -0.683) 7.687 4.736 ( 6.077 0.000 -5.294) 8.060 4.819 ( -10.222 0.000 17.626) 20.376 5.023 ( 2.200 0.000 -0.513) 2.259 5.146 ( 1.801 0.000 -4.796) 5.123 5.363 ( -3.853 0.000 3.511) 5.213 5.379 ( 1.225 0.000 1.099) 1.646 5.521 ( 3.409 0.000 -11.183) 11.691 5.687 ( -0.069 0.000 9.904) 9.904 5.869 ( 3.498 0.000 -12.022) 12.521 6.069 ( 5.163 0.000 -8.554) 9.991 6.274 ( -10.465 0.000 6.432) 12.283 6.462 ( -14.622 0.000 26.157) 29.967 6.572 ( 4.251 0.000 -7.240) 8.396 6.681 ( 3.988 0.000 0.938) 4.097 6.906 ( -7.998 0.000 6.528) 10.324 7.175 ( 5.431 0.000 -11.351) 12.583 7.259 ( -3.657 0.000 -2.327) 4.334 7.528 ( -12.883 0.000 1.023) 12.923 7.544 ( -0.516 0.000 5.775) 5.798 7.948 ( 2.028 0.000 -2.899) 3.538 8.066 ( -5.366 0.000 -1.198) 5.498 8.295 ( 3.985 0.000 -0.890) 4.083 8.350 ( -1.233 0.000 -3.973) 4.160 8.428 ( -6.864 0.000 2.485) 7.300 8.871 ( 0.663 0.000 0.185) 0.688 8.925 ( -0.730 0.000 -1.643) 1.798 9.268 ( 2.801 0.000 -1.829) 3.346 9.405 ( 0.236 0.000 -2.865) 2.875 9.814 ( -0.323 0.000 -0.706) 0.776 10.004 ( -5.951 0.000 5.989) 8.443 10.066 ( 3.702 0.000 4.606) 5.909 10.129 ( -5.177 0.000 0.101) 5.178 10.453 ( -2.101 0.000 8.945) 9.188 10.460 ( 0.436 0.000 -2.020) 2.067 10.605 ( 3.924 0.000 -3.191) 5.058 10.618 ( 9.485 0.000 -9.254) 13.251 11.139 ( -1.619 0.000 2.385) 2.882 11.150 ( 0.101 0.000 -2.688) 2.690 11.941 ( 4.349 0.000 -1.166) 4.503 12.255 ( 0.410 0.000 -3.279) 3.305 12.459 ( 2.192 0.000 3.074) 3.775 12.513 ( -1.517 0.000 -0.239) 1.536 13.898 ( -3.325 0.000 0.219) 3.332 13.991 ( 0.439 0.000 -2.128) 2.172 14.006 ( -1.805 0.000 1.555) 2.382 14.043 ( 1.453 0.000 0.552) 1.554 14.502 ( -5.147 0.000 14.023) 14.938 14.705 ( -3.632 0.000 1.060) 3.783 15.044 ( -2.244 0.000 -0.521) 2.303 15.137 ( -1.950 0.000 0.148) 1.956 15.369 ( -1.062 0.000 1.767) 2.061 15.400 ( 1.788 0.000 -0.515) 1.861 15.506 ( 0.083 0.000 -1.144) 1.147 15.526 ( -0.201 0.000 -0.872) 0.895 15.613 ( 4.257 0.000 -0.697) 4.314 15.615 ( -0.567 0.000 -1.040) 1.184 15.754 ( -0.289 0.000 -0.128) 0.316 15.970 ( -6.115 0.000 0.095) 6.115 16.252 ( -2.815 0.000 -0.677) 2.896 16.413 ( -4.090 0.000 -5.407) 6.780 16.620 ( 7.920 0.000 0.421) 7.931 16.727 ( 5.636 0.000 -2.752) 6.272 17.463 ( 2.357 0.000 1.403) 2.743 17.745 ( -1.647 0.000 -0.117) 1.651 17.795 ( -1.210 0.000 -3.203) 3.423 17.795 ( -2.376 0.000 -0.478) 2.424 21.089 ( -1.363 0.000 5.118) 5.297 21.094 ( 0.825 0.000 -0.539) 0.985 21.629 ( -1.785 0.000 1.663) 2.440 21.694 ( -1.401 0.000 -1.546) 2.087 26.934 ( -6.862 0.000 20.547) 21.662 26.990 ( -0.622 0.000 2.923) 2.989 27.178 ( -4.226 0.000 -4.389) 6.093 27.297 ( -3.909 0.000 0.672) 3.966 28.870 ( 0.534 0.000 0.174) 0.562 28.933 ( -0.874 0.000 0.879) 1.240 28.970 ( -0.845 0.000 1.479) 1.703 29.043 ( -0.245 0.000 -2.070) 2.084 29.577 ( 0.000 0.000 2.046) 2.046 29.587 ( -2.371 0.000 4.108) 4.743 30.083 ( -5.469 0.000 1.999) 5.823 30.123 ( 3.012 0.000 -1.851) 3.535 30.280 ( -3.511 0.000 -1.167) 3.700 30.420 ( 1.448 0.000 -0.456) 1.518 30.727 ( -4.915 0.000 1.523) 5.146 30.862 ( -1.892 0.000 -1.864) 2.656 30.980 ( 6.457 0.000 -2.909) 7.082 31.069 ( -1.078 0.000 9.449) 9.510 31.415 ( -2.064 0.000 -1.824) 2.754 31.529 ( 6.677 0.000 -2.280) 7.055 31.561 ( 13.274 0.000 0.478) 13.283 31.719 ( 2.871 0.000 -1.231) 3.124 32.389 ( -0.040 0.000 0.051) 0.065 32.474 ( 2.960 0.000 -0.834) 3.075 32.846 ( -0.496 0.000 1.358) 1.446 33.041 ( 0.247 0.000 -0.971) 1.002 33.315 ( -3.012 0.000 1.278) 3.272 34.145 ( 12.155 0.000 -30.222) 32.574 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 16.627 0.000 -0.894) 16.651 1.039 ( 16.195 0.000 10.651) 19.384 1.218 ( 4.480 0.000 3.052) 5.421 1.369 ( -2.375 0.000 -5.314) 5.821 1.569 ( 2.060 0.000 0.390) 2.097 1.592 ( -3.324 0.000 -4.077) 5.260 1.692 ( 20.731 0.000 1.973) 20.824 1.882 ( 0.855 0.000 3.461) 3.565 2.054 ( 8.821 0.000 1.810) 9.005 2.070 ( 1.796 0.000 1.283) 2.207 2.089 ( 2.617 0.000 3.423) 4.308 2.241 ( -0.499 0.000 9.976) 9.988 2.405 ( -2.936 0.000 -1.308) 3.215 2.414 ( -1.770 0.000 -1.128) 2.099 2.723 ( -3.200 0.000 -8.747) 9.314 2.862 ( 9.021 0.000 -6.526) 11.134 3.063 ( 8.472 0.000 -9.144) 12.465 3.063 ( 5.907 0.000 -0.786) 5.959 3.157 ( -0.498 0.000 12.430) 12.440 3.298 ( 9.095 0.000 9.748) 13.332 3.353 ( 8.796 0.000 -2.156) 9.056 3.439 ( 9.801 0.000 4.271) 10.692 3.516 ( -1.043 0.000 0.955) 1.414 3.652 ( 2.589 0.000 -7.567) 7.998 3.709 ( 1.928 0.000 -1.287) 2.318 3.853 ( -4.926 0.000 -12.577) 13.508 3.982 ( -3.535 0.000 -2.169) 4.148 4.004 ( 1.201 0.000 -4.291) 4.456 4.082 ( -1.002 0.000 3.741) 3.873 4.235 ( 8.755 0.000 -3.366) 9.380 4.309 ( 1.567 0.000 -3.118) 3.490 4.385 ( 3.232 0.000 9.178) 9.731 4.570 ( 5.549 0.000 4.649) 7.239 4.659 ( 6.616 0.000 -0.431) 6.631 4.772 ( -7.268 0.000 13.590) 15.411 4.824 ( 4.729 0.000 -3.927) 6.147 5.062 ( 3.082 0.000 -0.766) 3.175 5.140 ( 4.298 0.000 -11.178) 11.976 5.349 ( -0.362 0.000 5.581) 5.593 5.397 ( -3.091 0.000 6.083) 6.823 5.546 ( 3.850 0.000 -3.022) 4.895 5.752 ( 2.071 0.000 4.580) 5.026 5.807 ( -0.417 0.000 -11.566) 11.574 6.127 ( -10.774 0.000 8.413) 13.669 6.127 ( 7.555 0.000 -7.588) 10.707 6.390 ( -7.942 0.000 11.773) 14.202 6.578 ( 2.783 0.000 -10.909) 11.258 6.692 ( -5.637 0.000 2.994) 6.382 6.812 ( -7.536 0.000 8.891) 11.655 7.129 ( -1.328 0.000 -11.588) 11.664 7.151 ( -3.853 0.000 -2.631) 4.666 7.336 ( -7.797 0.000 0.834) 7.841 7.576 ( -2.937 0.000 10.441) 10.846 7.920 ( -3.839 0.000 -3.865) 5.447 7.957 ( -2.593 0.000 -0.528) 2.647 8.265 ( -6.031 0.000 -4.506) 7.529 8.338 ( -1.559 0.000 2.018) 2.550 8.341 ( 1.613 0.000 -1.037) 1.918 8.874 ( -3.336 0.000 -1.434) 3.631 8.893 ( 0.818 0.000 0.363) 0.895 9.320 ( 4.598 0.000 -2.885) 5.428 9.393 ( 1.874 0.000 -4.557) 4.927 9.803 ( -0.953 0.000 0.411) 1.038 9.921 ( -7.978 0.000 10.204) 12.952 10.092 ( 0.936 0.000 -2.297) 2.480 10.148 ( 2.026 0.000 1.292) 2.403 10.433 ( -1.820 0.000 -1.801) 2.560 10.515 ( -0.217 0.000 10.550) 10.552 10.652 ( 2.110 0.000 1.102) 2.381 10.675 ( 5.095 0.000 -11.793) 12.847 11.142 ( -0.188 0.000 3.708) 3.712 11.146 ( 1.633 0.000 -2.137) 2.689 12.040 ( 6.925 0.000 -1.352) 7.056 12.252 ( 1.020 0.000 -1.027) 1.447 12.471 ( -2.679 0.000 -0.159) 2.684 12.518 ( 2.070 0.000 0.856) 2.240 13.834 ( -3.429 0.000 0.550) 3.472 13.970 ( -0.827 0.000 -2.659) 2.784 13.984 ( -1.114 0.000 0.378) 1.177 14.077 ( 1.547 0.000 0.809) 1.746 14.522 ( -1.582 0.000 7.497) 7.662 14.641 ( -3.538 0.000 1.369) 3.793 14.980 ( -3.236 0.000 -1.792) 3.699 15.075 ( -4.866 0.000 0.538) 4.896 15.365 ( -0.393 0.000 0.989) 1.064 15.453 ( 3.689 0.000 1.047) 3.835 15.503 ( -1.488 0.000 -1.869) 2.389 15.520 ( 1.090 0.000 1.134) 1.573 15.593 ( -0.397 0.000 -1.449) 1.502 15.679 ( 3.163 0.000 -2.442) 3.996 15.749 ( -0.636 0.000 1.357) 1.498 15.810 ( -5.664 0.000 -4.082) 6.982 16.308 ( 3.704 0.000 6.154) 7.183 16.309 ( -2.290 0.000 -4.845) 5.359 16.725 ( 3.541 0.000 -0.855) 3.642 16.788 ( 1.335 0.000 0.807) 1.560 17.530 ( 3.089 0.000 1.558) 3.459 17.693 ( -2.610 0.000 -3.755) 4.573 17.733 ( -3.813 0.000 -0.077) 3.813 17.736 ( -3.967 0.000 2.113) 4.495 21.109 ( 0.425 0.000 2.354) 2.393 21.114 ( 1.991 0.000 -0.815) 2.152 21.598 ( -3.104 0.000 2.254) 3.836 21.641 ( -2.400 0.000 -2.566) 3.514 26.972 ( -1.824 0.000 9.823) 9.990 27.006 ( -1.106 0.000 5.798) 5.903 27.050 ( -5.173 0.000 -5.135) 7.289 27.175 ( -7.180 0.000 -3.496) 7.986 28.885 ( 0.908 0.000 0.203) 0.930 28.921 ( -1.048 0.000 1.123) 1.536 28.965 ( -1.143 0.000 2.030) 2.330 29.015 ( -0.586 0.000 -2.901) 2.959 29.572 ( -0.848 0.000 0.192) 0.869 29.602 ( 0.914 0.000 2.370) 2.540 29.997 ( -5.975 0.000 4.052) 7.219 30.131 ( -2.757 0.000 -6.964) 7.490 30.217 ( 1.392 0.000 0.509) 1.482 30.472 ( 4.376 0.000 0.188) 4.380 30.674 ( -1.904 0.000 1.818) 2.633 30.806 ( -2.532 0.000 -1.601) 2.996 31.043 ( 2.429 0.000 -3.597) 4.340 31.141 ( 1.135 0.000 7.934) 8.014 31.351 ( -2.994 0.000 -1.522) 3.359 31.645 ( 4.937 0.000 2.036) 5.340 31.728 ( 1.429 0.000 -4.667) 4.880 31.810 ( 8.191 0.000 0.231) 8.194 32.406 ( 1.935 0.000 0.863) 2.119 32.549 ( 6.170 0.000 -0.556) 6.195 32.856 ( -0.080 0.000 1.680) 1.682 33.031 ( -0.126 0.000 -2.268) 2.272 33.320 ( 2.166 0.000 6.120) 6.492 34.137 ( 5.843 0.000 -15.509) 16.573 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 5.896 0.000 -5.669) 8.180 1.278 ( 2.796 0.000 3.005) 4.105 1.330 ( 6.916 0.000 0.905) 6.975 1.367 ( 3.802 0.000 -1.740) 4.181 1.526 ( -0.118 0.000 -0.613) 0.624 1.598 ( 1.911 0.000 -0.583) 1.998 1.862 ( 1.559 0.000 -0.206) 1.573 1.910 ( 0.210 0.000 0.892) 0.917 2.111 ( 0.100 0.000 1.331) 1.335 2.168 ( 1.478 0.000 6.030) 6.209 2.255 ( -4.016 0.000 3.626) 5.411 2.282 ( 8.506 0.000 -0.894) 8.553 2.340 ( -1.879 0.000 -2.080) 2.803 2.475 ( 8.451 0.000 0.635) 8.475 2.650 ( 1.107 0.000 0.038) 1.107 2.809 ( -1.608 0.000 -12.066) 12.173 3.088 ( -5.478 0.000 9.625) 11.074 3.189 ( 3.837 0.000 -5.833) 6.982 3.275 ( 4.052 0.000 4.302) 5.909 3.447 ( -0.598 0.000 -6.920) 6.946 3.537 ( 5.943 0.000 7.608) 9.654 3.562 ( 9.314 0.000 -11.083) 14.477 3.615 ( 1.106 0.000 0.762) 1.343 3.684 ( 13.089 0.000 0.701) 13.108 3.722 ( 1.180 0.000 -3.841) 4.018 3.808 ( 10.178 0.000 1.375) 10.271 3.915 ( -1.624 0.000 0.067) 1.625 3.991 ( 1.027 0.000 -4.378) 4.497 4.134 ( 3.933 0.000 -0.112) 3.934 4.310 ( 3.546 0.000 -6.328) 7.254 4.364 ( 4.994 0.000 0.641) 5.035 4.494 ( 0.398 0.000 10.615) 10.622 4.708 ( 2.083 0.000 4.661) 5.105 4.764 ( 4.468 0.000 -2.817) 5.282 4.799 ( 3.741 0.000 8.232) 9.042 4.816 ( -1.448 0.000 -2.965) 3.299 5.136 ( 3.799 0.000 2.731) 4.678 5.139 ( 4.417 0.000 -9.857) 10.802 5.343 ( -7.485 0.000 6.076) 9.641 5.411 ( 1.712 0.000 3.030) 3.480 5.581 ( 0.477 0.000 1.605) 1.674 5.701 ( -1.345 0.000 -8.228) 8.337 5.851 ( 4.385 0.000 1.297) 4.573 6.017 ( -6.860 0.000 8.256) 10.735 6.226 ( 9.109 0.000 -8.496) 12.456 6.356 ( -2.442 0.000 4.684) 5.282 6.487 ( -5.205 0.000 -5.411) 7.509 6.548 ( -9.472 0.000 2.489) 9.794 6.756 ( -3.720 0.000 0.062) 3.721 6.988 ( -3.507 0.000 -7.661) 8.425 7.102 ( -1.549 0.000 0.195) 1.561 7.254 ( -1.882 0.000 2.964) 3.511 7.593 ( -3.958 0.000 10.335) 11.067 7.792 ( -5.513 0.000 -4.352) 7.024 7.915 ( -2.305 0.000 -1.779) 2.912 8.103 ( -8.261 0.000 -0.514) 8.277 8.367 ( 1.747 0.000 1.138) 2.085 8.374 ( 4.317 0.000 -1.583) 4.598 8.792 ( -4.392 0.000 0.270) 4.400 8.891 ( -0.924 0.000 -0.585) 1.093 9.390 ( 4.908 0.000 -2.728) 5.615 9.414 ( 3.403 0.000 -3.078) 4.588 9.780 ( -1.883 0.000 0.526) 1.955 9.875 ( -4.612 0.000 7.745) 9.014 10.105 ( 1.910 0.000 -1.775) 2.607 10.170 ( 0.222 0.000 -0.087) 0.239 10.360 ( -3.591 0.000 -3.618) 5.098 10.543 ( -0.908 0.000 -1.190) 1.497 10.657 ( 2.052 0.000 -8.274) 8.524 10.737 ( 1.273 0.000 12.447) 12.512 11.171 ( 2.196 0.000 -1.506) 2.662 11.189 ( 1.838 0.000 3.436) 3.897 12.165 ( 7.176 0.000 -1.663) 7.366 12.275 ( 1.303 0.000 1.289) 1.833 12.415 ( -3.309 0.000 0.804) 3.405 12.540 ( 0.671 0.000 -2.083) 2.188 13.786 ( -2.204 0.000 0.781) 2.338 13.931 ( -1.400 0.000 -1.704) 2.206 13.964 ( -0.696 0.000 -1.092) 1.295 14.112 ( 1.546 0.000 0.816) 1.749 14.556 ( 0.007 0.000 4.841) 4.841 14.607 ( -1.118 0.000 1.261) 1.685 14.909 ( -2.346 0.000 -2.270) 3.265 14.973 ( -5.933 0.000 0.437) 5.949 15.366 ( -0.287 0.000 0.479) 0.558 15.437 ( -3.567 0.000 -1.944) 4.062 15.547 ( 4.327 0.000 2.484) 4.989 15.552 ( 1.310 0.000 1.003) 1.650 15.587 ( 1.015 0.000 -1.705) 1.984 15.661 ( -0.731 0.000 -2.501) 2.606 15.752 ( -0.601 0.000 2.059) 2.145 15.772 ( 1.883 0.000 -2.151) 2.859 16.266 ( 1.559 0.000 -3.974) 4.269 16.423 ( 2.875 0.000 5.624) 6.316 16.752 ( 0.342 0.000 -0.529) 0.630 16.784 ( -2.425 0.000 0.913) 2.591 17.589 ( 2.205 0.000 0.405) 2.242 17.600 ( -3.283 0.000 -4.396) 5.486 17.663 ( -4.024 0.000 1.731) 4.380 17.685 ( -3.328 0.000 1.955) 3.860 21.139 ( 1.092 0.000 1.346) 1.733 21.158 ( 3.331 0.000 -0.758) 3.416 21.548 ( -3.907 0.000 1.978) 4.379 21.572 ( -2.576 0.000 -2.625) 3.678 26.914 ( -4.854 0.000 -5.037) 6.995 26.999 ( -1.082 0.000 4.378) 4.509 27.014 ( -5.612 0.000 -5.134) 7.606 27.047 ( -0.133 0.000 7.319) 7.320 28.905 ( 0.995 0.000 0.056) 0.997 28.913 ( -0.594 0.000 0.873) 1.056 28.960 ( -1.066 0.000 2.202) 2.446 28.981 ( -0.725 0.000 -2.456) 2.560 29.561 ( -0.110 0.000 -0.790) 0.798 29.648 ( 2.360 0.000 1.462) 2.776 29.921 ( -5.726 0.000 4.582) 7.334 29.971 ( -6.630 0.000 -6.806) 9.501 30.293 ( 5.524 0.000 -1.171) 5.647 30.580 ( 5.178 0.000 2.977) 5.973 30.692 ( 2.725 0.000 1.788) 3.259 30.742 ( -3.563 0.000 -0.436) 3.589 31.015 ( -1.876 0.000 -4.057) 4.470 31.194 ( -2.930 0.000 6.270) 6.921 31.315 ( 1.769 0.000 -0.932) 2.000 31.647 ( -4.836 0.000 -7.168) 8.647 31.727 ( 1.534 0.000 3.257) 3.600 31.864 ( -0.885 0.000 -2.188) 2.360 32.481 ( 4.521 0.000 2.415) 5.126 32.705 ( 8.010 0.000 4.050) 8.976 32.865 ( 1.763 0.000 -2.403) 2.981 32.998 ( -0.773 0.000 -4.166) 4.237 33.482 ( 6.794 0.000 9.821) 11.942 34.127 ( 3.349 0.000 -9.628) 10.194 ======================= Grid point 4 (5/88) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 7.135 0.000 -1.388) 7.269 1.310 ( 0.096 0.000 0.712) 0.718 1.376 ( -1.805 0.000 -0.560) 1.890 1.405 ( 1.630 0.000 -0.827) 1.828 1.580 ( 3.703 0.000 0.726) 3.773 1.634 ( 2.042 0.000 -0.417) 2.084 1.870 ( 0.197 0.000 0.125) 0.233 1.914 ( 0.447 0.000 -0.767) 0.888 2.055 ( -4.182 0.000 -2.004) 4.637 2.157 ( -5.758 0.000 0.946) 5.836 2.245 ( 1.020 0.000 4.203) 4.324 2.331 ( 2.699 0.000 -0.813) 2.819 2.376 ( 4.190 0.000 -3.902) 5.726 2.629 ( 9.033 0.000 -6.222) 10.968 2.662 ( -5.768 0.000 -7.096) 9.145 2.743 ( 1.775 0.000 9.443) 9.608 3.059 ( -4.685 0.000 9.457) 10.554 3.136 ( -1.314 0.000 -5.429) 5.586 3.287 ( -4.917 0.000 -8.902) 10.170 3.339 ( 0.943 0.000 0.904) 1.307 3.640 ( 1.296 0.000 2.216) 2.567 3.660 ( 2.656 0.000 0.966) 2.826 3.677 ( 1.278 0.000 -0.880) 1.551 3.774 ( 5.679 0.000 0.274) 5.685 3.837 ( 5.220 0.000 -1.303) 5.380 3.955 ( 5.322 0.000 -1.575) 5.550 3.993 ( 3.354 0.000 -1.905) 3.857 4.051 ( 7.748 0.000 0.863) 7.796 4.193 ( 2.465 0.000 -2.321) 3.385 4.354 ( 4.573 0.000 -3.711) 5.890 4.416 ( 0.734 0.000 1.046) 1.278 4.590 ( 1.811 0.000 9.771) 9.937 4.733 ( 0.298 0.000 -6.165) 6.172 4.747 ( 0.104 0.000 2.897) 2.899 4.811 ( -0.904 0.000 0.307) 0.955 4.949 ( 5.403 0.000 1.797) 5.694 5.161 ( 3.726 0.000 -4.555) 5.885 5.203 ( -5.833 0.000 6.214) 8.523 5.260 ( 1.961 0.000 -0.286) 1.982 5.421 ( -2.044 0.000 0.705) 2.162 5.598 ( -0.131 0.000 2.113) 2.117 5.675 ( 2.348 0.000 -1.239) 2.655 5.871 ( -1.987 0.000 2.236) 2.991 6.027 ( 1.322 0.000 2.651) 2.962 6.300 ( 1.899 0.000 -8.045) 8.266 6.365 ( -0.662 0.000 -0.008) 0.662 6.369 ( 0.087 0.000 3.425) 3.426 6.440 ( -3.681 0.000 2.150) 4.263 6.632 ( -4.418 0.000 -9.650) 10.613 6.929 ( -0.691 0.000 0.367) 0.782 7.070 ( -1.899 0.000 0.531) 1.971 7.313 ( 3.691 0.000 6.144) 7.167 7.580 ( -4.248 0.000 6.662) 7.901 7.642 ( -6.258 0.000 -6.210) 8.816 7.848 ( -2.782 0.000 -1.575) 3.196 7.973 ( -4.872 0.000 0.229) 4.877 8.420 ( 2.023 0.000 2.077) 2.900 8.453 ( 5.104 0.000 -2.205) 5.560 8.722 ( -3.874 0.000 1.788) 4.267 8.861 ( -1.188 0.000 -1.025) 1.569 9.452 ( 3.191 0.000 -1.665) 3.599 9.464 ( 3.095 0.000 -0.723) 3.179 9.748 ( -1.595 0.000 0.242) 1.613 9.852 ( -2.565 0.000 3.295) 4.176 10.130 ( 1.760 0.000 -1.037) 2.043 10.167 ( -0.288 0.000 0.072) 0.297 10.261 ( -3.488 0.000 -3.029) 4.620 10.499 ( -1.426 0.000 -2.335) 2.736 10.640 ( 1.076 0.000 -3.721) 3.874 10.852 ( 1.399 0.000 8.900) 9.009 11.197 ( 1.355 0.000 -0.703) 1.526 11.244 ( 1.500 0.000 1.863) 2.392 12.265 ( 5.016 0.000 -3.398) 6.058 12.316 ( 1.317 0.000 2.312) 2.661 12.369 ( -2.833 0.000 3.049) 4.162 12.517 ( -0.619 0.000 -3.123) 3.184 13.762 ( -0.942 0.000 0.577) 1.104 13.897 ( -0.886 0.000 -1.050) 1.374 13.944 ( -0.522 0.000 -0.869) 1.014 14.144 ( 1.114 0.000 0.615) 1.272 14.589 ( 0.376 0.000 2.474) 2.502 14.612 ( 0.556 0.000 0.648) 0.854 14.865 ( -0.749 0.000 -1.590) 1.757 14.876 ( -4.203 0.000 0.288) 4.213 15.357 ( -3.286 0.000 -0.894) 3.406 15.357 ( -0.706 0.000 0.090) 0.711 15.589 ( 0.987 0.000 -1.549) 1.836 15.592 ( 2.450 0.000 0.380) 2.479 15.650 ( 3.902 0.000 1.978) 4.375 15.652 ( 0.405 0.000 -0.592) 0.717 15.751 ( -1.306 0.000 1.694) 2.139 15.781 ( 0.211 0.000 -1.102) 1.122 16.303 ( 4.400 0.000 -2.347) 4.987 16.486 ( 0.850 0.000 1.924) 2.103 16.719 ( -4.495 0.000 0.442) 4.517 16.746 ( -0.684 0.000 0.486) 0.839 17.523 ( -1.821 0.000 -2.410) 3.021 17.614 ( -0.583 0.000 -0.231) 0.627 17.619 ( -0.902 0.000 1.678) 1.905 17.642 ( -2.160 0.000 0.627) 2.249 21.166 ( 0.896 0.000 0.657) 1.111 21.222 ( 3.696 0.000 -0.510) 3.731 21.486 ( -3.804 0.000 1.254) 4.006 21.513 ( -1.703 0.000 -1.644) 2.367 26.810 ( -2.458 0.000 -3.108) 3.963 26.899 ( -2.979 0.000 -3.358) 4.489 27.007 ( -0.767 0.000 2.404) 2.524 27.096 ( 0.390 0.000 4.159) 4.177 28.912 ( -0.091 0.000 0.469) 0.478 28.921 ( 0.758 0.000 -0.082) 0.763 28.954 ( -0.557 0.000 -1.368) 1.478 28.958 ( -0.681 0.000 1.567) 1.709 29.557 ( 0.273 0.000 -0.631) 0.687 29.707 ( 3.226 0.000 -0.129) 3.229 29.814 ( -4.687 0.000 -4.562) 6.540 29.852 ( -4.917 0.000 3.613) 6.102 30.390 ( 5.478 0.000 -1.329) 5.637 30.665 ( -4.448 0.000 0.483) 4.474 30.687 ( 2.740 0.000 5.996) 6.593 30.807 ( 7.279 0.000 -1.078) 7.358 30.937 ( -2.613 0.000 -1.376) 2.953 31.153 ( -3.118 0.000 1.788) 3.595 31.373 ( 2.603 0.000 1.173) 2.855 31.456 ( -8.418 0.000 -7.450) 11.241 31.759 ( -0.162 0.000 2.311) 2.316 31.804 ( -2.551 0.000 -1.866) 3.161 32.594 ( 4.368 0.000 3.561) 5.635 32.851 ( 0.181 0.000 9.961) 9.963 32.901 ( 7.112 0.000 -8.640) 11.191 32.941 ( -1.380 0.000 -4.762) 4.958 33.662 ( 4.545 0.000 6.581) 7.998 34.117 ( 1.631 0.000 -4.871) 5.137 ======================= Grid point 5 (6/88) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.000 0.000 0.000) 0.000 1.311 ( 0.000 0.000 0.000) 0.000 1.329 ( 0.000 0.000 0.000) 0.000 1.413 ( 0.000 0.000 0.000) 0.000 1.623 ( 0.000 0.000 0.000) 0.000 1.654 ( 0.000 0.000 0.000) 0.000 1.874 ( 0.000 0.000 0.000) 0.000 1.920 ( -0.000 0.000 0.000) 0.000 1.993 ( -0.000 0.000 0.000) 0.000 2.100 ( 0.000 0.000 -0.000) 0.000 2.261 ( 0.000 0.000 -0.000) 0.000 2.385 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 -0.000) 0.000 3.059 ( 0.000 0.000 -0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 -0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 -0.000) 0.000 4.079 ( -0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.432 ( -0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 -0.000) 0.000 4.731 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 4.781 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 -0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.390 ( -0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.860 ( 0.000 0.000 0.000) 0.000 6.050 ( 0.000 0.000 0.000) 0.000 6.250 ( -0.000 0.000 0.000) 0.000 6.395 ( 0.000 0.000 -0.000) 0.000 6.405 ( 0.000 0.000 0.000) 0.000 6.420 ( 0.000 0.000 0.000) 0.000 6.520 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 -0.000) 0.000 7.052 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 7.491 ( 0.000 0.000 0.000) 0.000 7.559 ( 0.000 0.000 0.000) 0.000 7.812 ( 0.000 0.000 0.000) 0.000 7.929 ( -0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.502 ( 0.000 0.000 0.000) 0.000 8.686 ( -0.000 0.000 0.000) 0.000 8.844 ( 0.000 0.000 0.000) 0.000 9.476 ( 0.000 0.000 0.000) 0.000 9.496 ( 0.000 0.000 0.000) 0.000 9.732 ( 0.000 0.000 0.000) 0.000 9.837 ( 0.000 0.000 0.000) 0.000 10.147 ( 0.000 0.000 0.000) 0.000 10.165 ( 0.000 0.000 0.000) 0.000 10.210 ( 0.000 0.000 0.000) 0.000 10.474 ( 0.000 0.000 0.000) 0.000 10.637 ( 0.000 0.000 0.000) 0.000 10.903 ( 0.000 0.000 0.000) 0.000 11.208 ( 0.000 0.000 -0.000) 0.000 11.266 ( 0.000 0.000 0.000) 0.000 12.295 ( 0.000 0.000 0.000) 0.000 12.343 ( -0.000 0.000 0.000) 0.000 12.359 ( 0.000 0.000 0.000) 0.000 12.492 ( 0.000 0.000 0.000) 0.000 13.756 ( 0.000 0.000 0.000) 0.000 13.885 ( 0.000 0.000 0.000) 0.000 13.935 ( 0.000 0.000 -0.000) 0.000 14.158 ( 0.000 0.000 0.000) 0.000 14.603 ( 0.000 0.000 0.000) 0.000 14.623 ( 0.000 0.000 0.000) 0.000 14.835 ( 0.000 0.000 0.000) 0.000 14.853 ( 0.000 0.000 0.000) 0.000 15.320 ( 0.000 0.000 0.000) 0.000 15.350 ( 0.000 0.000 0.000) 0.000 15.592 ( 0.000 0.000 0.000) 0.000 15.629 ( 0.000 0.000 0.000) 0.000 15.651 ( -0.000 0.000 0.000) 0.000 15.714 ( -0.000 0.000 0.000) 0.000 15.728 ( 0.000 0.000 0.000) 0.000 15.774 ( 0.000 0.000 0.000) 0.000 16.349 ( 0.000 0.000 0.000) 0.000 16.498 ( 0.000 0.000 0.000) 0.000 16.665 ( 0.000 0.000 0.000) 0.000 16.740 ( 0.000 0.000 0.000) 0.000 17.497 ( 0.000 0.000 0.000) 0.000 17.602 ( 0.000 0.000 0.000) 0.000 17.622 ( 0.000 0.000 0.000) 0.000 17.622 ( 0.000 0.000 0.000) 0.000 21.178 ( 0.000 0.000 0.000) 0.000 21.264 ( 0.000 0.000 0.000) 0.000 21.447 ( -0.000 0.000 0.000) 0.000 21.490 ( 0.000 0.000 0.000) 0.000 26.776 ( 0.000 0.000 0.000) 0.000 26.856 ( 0.000 0.000 0.000) 0.000 27.009 ( 0.000 0.000 0.000) 0.000 27.117 ( 0.000 0.000 0.000) 0.000 28.914 ( 0.000 0.000 0.000) 0.000 28.929 ( 0.000 0.000 0.000) 0.000 28.942 ( 0.000 0.000 0.000) 0.000 28.958 ( -0.000 0.000 0.000) 0.000 29.558 ( 0.000 0.000 0.000) 0.000 29.749 ( 0.000 0.000 0.000) 0.000 29.751 ( 0.000 0.000 0.000) 0.000 29.806 ( -0.000 0.000 0.000) 0.000 30.450 ( 0.000 0.000 0.000) 0.000 30.611 ( -0.000 0.000 0.000) 0.000 30.772 ( -0.000 0.000 -0.000) 0.000 30.807 ( 0.000 0.000 0.000) 0.000 30.974 ( -0.000 0.000 0.000) 0.000 31.129 ( 0.000 0.000 0.000) 0.000 31.307 ( 0.000 0.000 0.000) 0.000 31.404 ( 0.000 0.000 0.000) 0.000 31.765 ( 0.000 0.000 0.000) 0.000 31.769 ( 0.000 0.000 0.000) 0.000 32.661 ( 0.000 0.000 0.000) 0.000 32.882 ( 0.000 0.000 0.000) 0.000 32.900 ( 0.000 0.000 0.000) 0.000 32.949 ( 0.000 0.000 -0.000) 0.000 33.732 ( 0.000 0.000 0.000) 0.000 34.114 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/88) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 0.000 22.166 0.000) 22.166 0.516 ( 0.000 24.818 0.000) 24.818 0.886 ( 0.000 36.051 0.000) 36.051 1.248 ( 0.000 7.622 0.000) 7.622 1.519 ( 0.000 2.726 0.000) 2.726 1.561 ( 0.000 3.327 0.000) 3.327 1.647 ( 0.000 3.815 0.000) 3.815 1.876 ( 0.000 -8.298 0.000) 8.298 1.882 ( 0.000 -4.535 0.000) 4.535 1.994 ( 0.000 -1.221 0.000) 1.221 2.104 ( 0.000 -2.286 0.000) 2.286 2.325 ( 0.000 -5.094 0.000) 5.094 2.409 ( 0.000 -2.859 0.000) 2.859 2.491 ( 0.000 6.673 0.000) 6.673 2.543 ( 0.000 0.535 0.000) 0.535 2.594 ( 0.000 -10.164 0.000) 10.164 2.909 ( 0.000 -9.570 0.000) 9.570 2.910 ( 0.000 -6.975 0.000) 6.975 2.964 ( 0.000 0.707 0.000) 0.707 3.138 ( 0.000 0.040 0.000) 0.040 3.163 ( 0.000 1.548 0.000) 1.548 3.433 ( 0.000 5.709 0.000) 5.709 3.441 ( 0.000 -0.225 0.000) 0.225 3.551 ( 0.000 0.083 0.000) 0.083 3.718 ( 0.000 -0.752 0.000) 0.752 3.758 ( 0.000 6.546 0.000) 6.546 3.956 ( 0.000 -1.840 0.000) 1.840 4.030 ( 0.000 -0.106 0.000) 0.106 4.118 ( 0.000 -2.615 0.000) 2.615 4.162 ( 0.000 -1.432 0.000) 1.432 4.250 ( 0.000 6.241 0.000) 6.241 4.290 ( 0.000 -2.327 0.000) 2.327 4.548 ( 0.000 6.433 0.000) 6.433 4.555 ( 0.000 2.695 0.000) 2.695 4.646 ( 0.000 -5.511 0.000) 5.511 4.719 ( 0.000 10.176 0.000) 10.176 5.057 ( 0.000 2.374 0.000) 2.374 5.290 ( 0.000 -9.752 0.000) 9.752 5.361 ( 0.000 -2.814 0.000) 2.814 5.537 ( 0.000 -0.964 0.000) 0.964 5.540 ( 0.000 2.392 0.000) 2.392 5.681 ( 0.000 -2.397 0.000) 2.397 5.750 ( 0.000 8.931 0.000) 8.931 6.062 ( 0.000 6.329 0.000) 6.329 6.410 ( 0.000 -7.620 0.000) 7.620 6.426 ( 0.000 0.778 0.000) 0.778 6.597 ( 0.000 1.320 0.000) 1.320 6.781 ( 0.000 2.126 0.000) 2.126 6.979 ( 0.000 8.939 0.000) 8.939 6.992 ( 0.000 -1.739 0.000) 1.739 7.528 ( 0.000 0.495 0.000) 0.495 7.634 ( 0.000 -6.268 0.000) 6.268 7.876 ( 0.000 -2.754 0.000) 2.754 7.946 ( 0.000 4.370 0.000) 4.370 8.132 ( 0.000 5.017 0.000) 5.017 8.206 ( 0.000 -3.279 0.000) 3.279 8.269 ( 0.000 0.801 0.000) 0.801 8.300 ( 0.000 -6.857 0.000) 6.857 8.716 ( 0.000 -14.602 0.000) 14.602 8.842 ( 0.000 -2.831 0.000) 2.831 9.341 ( 0.000 5.819 0.000) 5.819 9.613 ( 0.000 16.068 0.000) 16.068 9.803 ( 0.000 -1.889 0.000) 1.889 9.959 ( 0.000 -1.632 0.000) 1.632 10.087 ( 0.000 3.895 0.000) 3.895 10.242 ( 0.000 2.442 0.000) 2.442 10.374 ( 0.000 -4.954 0.000) 4.954 10.398 ( 0.000 -2.295 0.000) 2.295 10.524 ( 0.000 -2.770 0.000) 2.770 10.681 ( 0.000 6.374 0.000) 6.374 11.068 ( 0.000 -7.842 0.000) 7.842 11.084 ( 0.000 -2.954 0.000) 2.954 11.984 ( 0.000 6.529 0.000) 6.529 12.178 ( 0.000 1.279 0.000) 1.279 12.396 ( 0.000 -2.001 0.000) 2.001 12.512 ( 0.000 -1.755 0.000) 1.755 13.905 ( 0.000 -2.462 0.000) 2.462 13.996 ( 0.000 0.069 0.000) 0.069 14.007 ( 0.000 -0.584 0.000) 0.584 14.152 ( 0.000 -3.877 0.000) 3.877 14.448 ( 0.000 -1.177 0.000) 1.177 14.917 ( 0.000 -12.043 0.000) 12.043 15.202 ( 0.000 4.384 0.000) 4.384 15.335 ( 0.000 -1.277 0.000) 1.277 15.449 ( 0.000 1.970 0.000) 1.970 15.501 ( 0.000 -3.122 0.000) 3.122 15.508 ( 0.000 4.543 0.000) 4.543 15.592 ( 0.000 3.577 0.000) 3.577 15.688 ( 0.000 3.840 0.000) 3.840 15.756 ( 0.000 0.381 0.000) 0.381 15.939 ( 0.000 -5.315 0.000) 5.315 16.002 ( 0.000 -1.086 0.000) 1.086 16.141 ( 0.000 0.350 0.000) 0.350 16.412 ( 0.000 -4.934 0.000) 4.934 16.414 ( 0.000 -0.034 0.000) 0.034 16.541 ( 0.000 0.751 0.000) 0.751 17.450 ( 0.000 1.742 0.000) 1.742 17.773 ( 0.000 -2.643 0.000) 2.643 17.811 ( 0.000 0.067 0.000) 0.067 17.819 ( 0.000 -0.084 0.000) 0.084 21.136 ( 0.000 8.559 0.000) 8.559 21.214 ( 0.000 2.700 0.000) 2.700 21.631 ( 0.000 -0.713 0.000) 0.713 21.720 ( 0.000 0.380 0.000) 0.380 26.827 ( 0.000 0.827 0.000) 0.827 26.970 ( 0.000 -1.288 0.000) 1.288 27.369 ( 0.000 4.762 0.000) 4.762 27.849 ( 0.000 -2.865 0.000) 2.865 28.857 ( 0.000 -0.688 0.000) 0.688 28.878 ( 0.000 -2.909 0.000) 2.909 29.057 ( 0.000 5.228 0.000) 5.228 29.306 ( 0.000 -0.705 0.000) 0.705 29.580 ( 0.000 2.014 0.000) 2.014 29.721 ( 0.000 -0.177 0.000) 0.177 30.143 ( 0.000 0.675 0.000) 0.675 30.148 ( 0.000 4.635 0.000) 4.635 30.308 ( 0.000 -0.954 0.000) 0.954 30.429 ( 0.000 1.608 0.000) 1.608 30.829 ( 0.000 -0.995 0.000) 0.995 30.853 ( 0.000 -3.597 0.000) 3.597 30.894 ( 0.000 0.883 0.000) 0.883 31.247 ( 0.000 -2.646 0.000) 2.646 31.249 ( 0.000 0.944 0.000) 0.944 31.458 ( 0.000 -0.331 0.000) 0.331 31.485 ( 0.000 -0.686 0.000) 0.686 31.500 ( 0.000 -0.273 0.000) 0.273 31.691 ( 0.000 0.008 0.000) 0.008 32.259 ( 0.000 -11.506 0.000) 11.506 32.877 ( 0.000 2.863 0.000) 2.863 33.114 ( 0.000 6.264 0.000) 6.264 33.130 ( 0.000 1.284 0.000) 1.284 33.718 ( 0.000 -3.967 0.000) 3.967 ======================= Grid point 12 (8/88) ======================= q-point: ( 0.10 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 15.382 12.141 7.658) 21.039 0.815 ( 11.793 15.952 7.504) 21.210 1.058 ( 13.161 14.474 4.600) 20.097 1.312 ( 13.986 8.814 -2.634) 16.741 1.484 ( -1.477 1.329 -4.021) 4.485 1.580 ( 1.327 3.852 -0.548) 4.111 1.654 ( 1.107 2.518 -2.764) 3.899 1.851 ( 0.087 -3.574 3.907) 5.296 1.924 ( 2.606 -2.474 -0.747) 3.670 1.996 ( 1.156 -2.256 -0.814) 2.662 2.120 ( 0.557 0.098 1.454) 1.561 2.289 ( -3.183 3.752 0.871) 4.997 2.344 ( -3.694 -2.706 4.954) 6.746 2.515 ( -2.399 -0.500 0.910) 2.614 2.601 ( 12.738 3.854 -2.146) 13.480 2.726 ( 6.926 -10.203 1.992) 12.491 2.861 ( -0.695 -4.089 -2.696) 4.947 2.959 ( 2.891 -5.941 4.969) 8.267 3.030 ( 5.093 -5.174 2.660) 7.733 3.154 ( 1.601 2.277 -4.969) 5.696 3.216 ( 5.232 -0.571 3.002) 6.059 3.400 ( 1.971 5.267 -4.246) 7.046 3.518 ( 2.160 -3.631 -1.608) 4.520 3.549 ( -1.755 -3.430 0.567) 3.894 3.790 ( 0.794 1.975 0.202) 2.138 3.821 ( 5.860 -3.427 2.020) 7.083 3.945 ( 2.197 -2.575 -4.186) 5.383 4.062 ( 1.633 7.177 -1.635) 7.540 4.105 ( -3.560 -0.100 -2.022) 4.095 4.181 ( 6.126 -7.888 -0.195) 9.989 4.292 ( 4.965 3.855 1.499) 6.462 4.301 ( -0.121 7.160 3.248) 7.863 4.535 ( 2.244 -0.894 -4.951) 5.509 4.607 ( 4.708 3.566 -1.134) 6.014 4.682 ( 2.363 -2.658 2.459) 4.324 4.817 ( 1.242 4.588 12.612) 13.478 5.081 ( 2.483 1.658 -3.808) 4.839 5.256 ( -4.000 -4.818 1.913) 6.547 5.335 ( -2.567 1.441 -10.764) 11.159 5.412 ( -2.958 0.171 0.533) 3.010 5.507 ( -5.510 4.891 -0.962) 7.430 5.623 ( -0.586 2.897 7.970) 8.500 5.787 ( 3.282 -6.765 -0.249) 7.523 6.143 ( 6.167 5.536 -4.998) 9.678 6.226 ( -10.608 -0.485 -0.986) 10.665 6.498 ( -0.489 -3.039 3.904) 4.972 6.618 ( -5.149 1.944 10.799) 12.120 6.752 ( 1.697 6.346 -6.049) 8.929 6.880 ( -3.641 1.087 -1.251) 4.000 7.028 ( 0.372 1.448 -1.668) 2.240 7.463 ( -6.955 -1.615 1.605) 7.318 7.563 ( -6.609 1.855 -1.159) 6.961 7.736 ( -4.628 12.694 -1.350) 13.579 7.970 ( -0.539 -2.692 -0.308) 2.762 8.066 ( -5.128 0.797 -0.743) 5.242 8.233 ( -1.062 -9.547 -7.220) 12.017 8.292 ( 5.595 1.490 -1.672) 6.027 8.319 ( -2.996 -3.913 6.846) 8.435 8.720 ( 0.971 -14.731 -1.838) 14.877 8.858 ( 1.475 -2.188 0.164) 2.644 9.323 ( -1.296 5.091 -0.953) 5.339 9.610 ( 1.112 15.185 -3.178) 15.554 9.821 ( 0.564 -0.582 0.092) 0.816 9.988 ( -2.144 -0.661 6.057) 6.459 10.107 ( 0.904 2.991 4.486) 5.467 10.169 ( -4.738 4.176 1.094) 6.409 10.396 ( 0.910 -3.944 3.460) 5.325 10.462 ( 2.878 -2.818 -0.098) 4.029 10.513 ( 2.049 -3.427 -3.908) 5.587 10.692 ( 3.470 3.993 -5.514) 7.641 11.061 ( -1.184 -7.321 1.685) 7.605 11.090 ( 1.004 -4.698 -2.044) 5.221 12.010 ( 3.083 5.990 -0.763) 6.780 12.217 ( 2.696 -0.495 -0.195) 2.748 12.430 ( 1.999 -2.516 2.064) 3.819 12.498 ( -1.178 -1.578 -0.357) 2.002 13.892 ( -2.246 -1.794 1.379) 3.188 13.963 ( -2.609 -0.914 -0.128) 2.768 13.997 ( -0.804 -0.328 -0.802) 1.182 14.109 ( -1.923 -0.648 -2.185) 2.983 14.463 ( 0.081 -1.739 3.259) 3.695 14.803 ( -8.556 -5.657 -3.344) 10.788 15.146 ( -5.563 2.274 -0.498) 6.030 15.255 ( -12.499 16.097 -0.349) 20.383 15.357 ( -0.739 -1.468 1.194) 2.032 15.470 ( -3.496 3.202 0.095) 4.742 15.489 ( 0.040 1.888 -0.149) 1.894 15.571 ( 1.608 2.825 -0.711) 3.327 15.625 ( -1.508 4.964 -2.635) 5.819 15.699 ( -0.064 4.094 -0.729) 4.159 15.757 ( 0.239 0.785 1.415) 1.636 15.930 ( -2.779 -3.236 1.523) 4.529 16.257 ( -3.065 0.614 -2.466) 3.982 16.366 ( -0.624 -3.853 -2.486) 4.627 16.546 ( 7.957 -5.306 1.330) 9.656 16.688 ( 7.522 -3.524 -0.418) 8.317 17.448 ( 1.114 0.054 0.748) 1.343 17.753 ( -2.732 -1.594 1.991) 3.738 17.772 ( -1.226 -0.499 -4.980) 5.153 17.798 ( -2.520 0.060 0.396) 2.552 21.138 ( -0.053 6.498 0.799) 6.547 21.196 ( -1.308 5.934 1.590) 6.281 21.618 ( -2.066 -1.033 1.621) 2.822 21.690 ( -1.994 -0.212 -1.344) 2.414 26.872 ( 0.305 -1.228 7.833) 7.935 26.975 ( -0.566 -1.237 2.485) 2.833 27.321 ( -5.145 4.681 -0.817) 7.004 27.483 ( -18.965 11.689 -3.776) 22.596 28.862 ( 0.570 -0.659 0.066) 0.874 28.881 ( -0.208 -2.605 1.255) 2.899 29.045 ( -1.306 4.675 0.231) 4.860 29.132 ( -6.076 5.526 -2.846) 8.692 29.601 ( 0.470 1.967 1.945) 2.806 29.613 ( -4.198 2.300 3.426) 5.886 30.087 ( -5.411 0.592 1.552) 5.660 30.172 ( 2.710 4.531 -1.919) 5.618 30.268 ( -3.684 -1.051 -0.534) 3.868 30.438 ( 1.257 1.694 0.169) 2.116 30.755 ( -3.501 1.594 -0.918) 3.955 30.843 ( -1.216 -2.204 -1.479) 2.920 30.973 ( 5.086 -0.312 -1.600) 5.341 31.092 ( -1.759 2.484 6.769) 7.422 31.384 ( 0.201 -3.020 -3.335) 4.504 31.506 ( 7.225 -1.772 -0.875) 7.490 31.563 ( 9.421 -0.097 1.249) 9.504 31.728 ( 3.796 1.034 -1.508) 4.214 32.196 ( 19.463 -19.547 4.096) 27.887 32.292 ( 8.300 -11.863 -0.746) 14.497 32.858 ( -1.016 2.452 0.820) 2.778 33.103 ( -0.586 5.818 -0.987) 5.930 33.200 ( 1.720 -5.370 0.295) 5.646 33.847 ( 12.692 -14.066 -7.720) 20.458 ======================= Grid point 13 (9/88) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 8.396 7.934 -0.527) 11.564 1.056 ( 13.697 1.741 7.590) 15.756 1.210 ( 4.208 0.770 1.577) 4.559 1.392 ( -1.356 1.681 -4.529) 5.018 1.574 ( 0.675 0.317 0.268) 0.793 1.612 ( -0.993 1.721 -3.437) 3.970 1.737 ( 14.626 3.562 0.130) 15.054 1.891 ( 0.283 0.306 2.830) 2.860 2.030 ( 3.486 -4.171 0.143) 5.438 2.064 ( 11.670 1.554 1.583) 11.879 2.140 ( 1.106 4.246 0.418) 4.407 2.266 ( -1.287 1.653 4.023) 4.535 2.365 ( 1.388 -2.443 2.545) 3.791 2.444 ( -4.284 2.202 1.620) 5.082 2.757 ( 0.815 3.149 0.540) 3.297 2.804 ( 3.156 -6.197 -0.294) 6.961 2.946 ( 5.910 -2.949 -3.595) 7.520 3.091 ( 6.735 -3.094 4.035) 8.440 3.148 ( 9.368 2.769 -8.522) 12.963 3.205 ( 8.289 -4.141 8.229) 12.393 3.384 ( 8.654 -4.941 -0.321) 9.971 3.456 ( 6.649 4.714 -1.366) 8.264 3.510 ( 0.761 -6.878 -2.460) 7.344 3.553 ( 2.532 1.687 -0.848) 3.158 3.728 ( -3.441 -3.966 -3.314) 6.208 3.880 ( 0.207 -0.773 -0.223) 0.831 3.944 ( -0.889 0.328 -6.059) 6.133 4.038 ( -0.637 4.058 1.876) 4.516 4.132 ( 4.279 4.793 -0.642) 6.457 4.229 ( 4.131 3.516 -4.865) 7.286 4.411 ( 5.563 3.156 0.018) 6.396 4.427 ( 6.493 2.692 9.240) 11.609 4.554 ( 1.498 0.453 -1.927) 2.482 4.690 ( 5.986 -1.909 -2.277) 6.683 4.750 ( 0.713 -3.614 3.896) 5.362 4.885 ( -2.962 8.349 11.979) 14.899 5.037 ( -2.178 -2.556 -7.496) 8.214 5.187 ( 2.731 3.878 -8.402) 9.649 5.281 ( -1.233 -4.589 3.867) 6.126 5.367 ( -2.965 -4.193 2.314) 5.632 5.548 ( 6.140 -7.042 1.345) 9.439 5.659 ( 1.264 6.410 1.361) 6.673 5.827 ( 1.739 -0.141 -4.957) 5.255 6.044 ( -9.450 -2.382 5.227) 11.059 6.199 ( 4.376 3.569 -5.005) 7.546 6.465 ( -6.952 2.269 8.038) 10.866 6.574 ( -2.328 0.577 -2.515) 3.475 6.736 ( -1.130 4.103 -5.094) 6.638 6.819 ( -4.963 1.023 5.692) 7.621 6.991 ( -1.671 0.237 -4.723) 5.016 7.325 ( -7.181 -0.413 1.939) 7.450 7.410 ( -7.307 8.112 -2.422) 11.183 7.686 ( -3.125 8.057 3.917) 9.488 7.941 ( -4.572 -0.271 -1.135) 4.719 7.959 ( -3.188 0.209 0.232) 3.203 8.122 ( -4.823 -11.229 -5.074) 13.232 8.304 ( 0.189 -2.658 1.005) 2.848 8.369 ( 2.571 3.608 0.194) 4.434 8.716 ( -0.047 -13.261 -1.857) 13.390 8.889 ( 1.201 -1.095 0.138) 1.631 9.294 ( -0.234 3.114 -1.233) 3.357 9.607 ( 1.992 13.245 -4.975) 14.288 9.819 ( -0.987 0.923 0.826) 1.584 9.952 ( -6.436 2.532 9.074) 11.409 10.110 ( -0.636 2.226 -1.430) 2.721 10.172 ( 2.078 2.386 -0.785) 3.260 10.405 ( -1.877 -2.303 -1.157) 3.189 10.525 ( 0.907 0.456 11.513) 11.558 10.559 ( 3.745 -6.634 -1.467) 7.758 10.685 ( 1.630 -0.008 -9.560) 9.698 11.061 ( -0.287 -6.956 2.377) 7.356 11.107 ( 2.544 -4.591 -1.232) 5.391 12.081 ( 4.904 3.628 -1.063) 6.192 12.263 ( 2.350 1.459 0.353) 2.788 12.444 ( -2.107 -2.684 -0.118) 3.414 12.500 ( 1.928 -1.498 0.292) 2.459 13.839 ( -3.646 0.180 0.985) 3.781 13.926 ( -1.774 -3.574 1.045) 4.125 13.969 ( -0.723 -0.314 -2.520) 2.641 14.080 ( -0.019 -1.202 -0.761) 1.423 14.495 ( 0.584 -1.654 3.133) 3.591 14.662 ( -4.127 -1.617 -1.037) 4.552 15.023 ( -5.757 4.103 -0.540) 7.090 15.133 ( -4.931 7.200 1.469) 8.850 15.337 ( -1.296 -2.551 0.318) 2.879 15.444 ( -0.080 -0.835 -0.576) 1.017 15.509 ( 1.369 2.609 1.134) 3.157 15.567 ( -0.558 1.024 0.083) 1.169 15.624 ( 0.386 3.893 -1.544) 4.205 15.677 ( -0.068 -0.170 -1.821) 1.830 15.775 ( -0.946 1.907 0.956) 2.333 15.862 ( -1.888 4.165 -2.054) 5.013 16.267 ( 1.951 -1.823 0.634) 2.744 16.328 ( 0.537 0.855 -0.213) 1.032 16.663 ( 3.741 -5.230 0.561) 6.454 16.765 ( 1.617 -2.842 -0.248) 3.279 17.501 ( 2.925 -1.965 1.481) 3.822 17.695 ( -2.971 -0.815 -4.494) 5.449 17.705 ( -3.819 -1.600 1.699) 4.476 17.741 ( -3.836 0.086 1.222) 4.027 21.150 ( 0.842 4.564 0.480) 4.666 21.197 ( 0.149 6.443 1.059) 6.531 21.580 ( -3.438 -1.717 2.143) 4.400 21.632 ( -2.497 -0.844 -2.290) 3.492 26.934 ( 0.251 -1.484 5.950) 6.138 26.985 ( -0.935 -1.169 3.444) 3.755 27.164 ( -8.817 6.705 -1.924) 11.243 27.220 ( -8.594 3.995 -3.276) 10.027 28.878 ( 1.025 -0.672 0.009) 1.226 28.888 ( -0.304 -1.716 1.732) 2.457 29.017 ( -1.858 3.490 0.829) 4.040 29.047 ( -2.101 2.625 -2.390) 4.126 29.588 ( -1.089 1.517 0.967) 2.103 29.622 ( 0.349 1.703 2.061) 2.696 29.994 ( -6.225 -0.132 3.428) 7.108 30.129 ( -5.396 -0.813 -5.731) 7.913 30.250 ( 3.448 3.783 -0.187) 5.122 30.489 ( 3.773 1.521 0.960) 4.180 30.712 ( -0.459 3.156 0.037) 3.190 30.800 ( -2.098 -0.777 -1.224) 2.551 31.025 ( 1.538 -1.474 -1.830) 2.809 31.148 ( 2.265 1.067 4.380) 5.045 31.333 ( -2.628 -1.583 -1.794) 3.554 31.636 ( 5.287 -1.249 2.149) 5.842 31.764 ( 2.630 -0.213 -0.740) 2.740 31.768 ( 7.167 0.763 -1.476) 7.357 32.316 ( 4.791 -7.367 -0.115) 8.789 32.548 ( 11.670 -3.388 -0.576) 12.165 32.867 ( 0.056 0.971 2.624) 2.799 33.078 ( -0.890 4.891 -1.918) 5.329 33.212 ( 0.675 -8.143 4.186) 9.180 33.970 ( 7.558 -13.521 -9.471) 18.156 ======================= Grid point 14 (10/88) ======================= q-point: ( 0.30 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 4.468 2.755 -4.261) 6.761 1.267 ( 3.780 -0.632 1.460) 4.101 1.331 ( 6.908 0.277 1.136) 7.006 1.388 ( 2.487 1.273 -1.462) 3.153 1.544 ( 0.097 1.807 -0.418) 1.857 1.625 ( 2.599 2.639 -1.021) 3.842 1.868 ( 1.930 -0.088 0.787) 2.086 1.906 ( 0.183 -1.656 0.614) 1.776 2.087 ( 1.411 -4.251 2.026) 4.916 2.147 ( -1.453 2.385 1.790) 3.317 2.224 ( -2.360 -1.617 -0.540) 2.912 2.289 ( -0.927 -1.087 3.652) 3.921 2.363 ( 6.044 1.748 -3.635) 7.267 2.529 ( 8.886 5.414 1.410) 10.500 2.773 ( 0.381 7.581 3.282) 8.270 2.829 ( -1.382 -3.546 0.337) 3.821 2.884 ( -1.673 -0.256 -8.649) 8.813 3.226 ( 3.409 -4.283 2.946) 6.217 3.339 ( 3.355 2.308 -2.807) 4.946 3.380 ( 1.386 -4.977 -1.409) 5.355 3.425 ( 7.331 -5.372 0.712) 9.116 3.524 ( 4.909 -6.073 -5.313) 9.445 3.607 ( 9.627 1.219 0.034) 9.704 3.702 ( 2.783 -0.787 -0.754) 2.988 3.744 ( 12.313 4.266 -0.575) 13.044 3.853 ( 1.052 3.147 1.277) 3.556 3.891 ( 0.014 -1.937 -3.402) 3.914 4.072 ( 2.696 7.404 1.473) 8.016 4.195 ( 3.363 6.647 -0.463) 7.464 4.316 ( 6.056 -1.396 -3.246) 7.011 4.466 ( 1.629 6.388 -0.917) 6.656 4.528 ( -0.988 1.939 5.073) 5.520 4.653 ( 7.315 -2.111 2.254) 7.940 4.742 ( -0.104 -3.509 -3.430) 4.908 4.794 ( 0.300 0.308 8.629) 8.640 4.894 ( -0.002 4.055 -3.345) 5.256 5.000 ( 2.910 -5.889 2.897) 7.180 5.206 ( 3.734 2.117 -4.853) 6.479 5.271 ( -6.071 -5.587 6.648) 10.596 5.349 ( 1.001 -5.462 -0.903) 5.626 5.643 ( -0.107 -3.043 4.999) 5.853 5.707 ( 4.029 1.973 -8.878) 9.947 5.812 ( 4.235 6.016 -1.532) 7.515 5.963 ( -5.527 -2.789 7.634) 9.828 6.242 ( 4.212 -0.338 -4.597) 6.244 6.404 ( -4.026 2.577 3.993) 6.228 6.485 ( -4.526 -0.707 -2.850) 5.395 6.622 ( -6.450 6.834 -2.628) 9.758 6.758 ( -5.504 0.184 1.040) 5.605 6.913 ( -1.583 0.456 -4.178) 4.491 7.218 ( -5.032 2.227 -0.983) 5.590 7.332 ( -0.958 7.889 4.761) 9.264 7.658 ( -4.115 5.409 5.299) 8.618 7.823 ( -4.772 1.056 -2.597) 5.535 7.886 ( -5.247 -2.994 -2.715) 6.623 8.019 ( -3.750 -6.815 0.711) 7.811 8.345 ( 3.709 -2.545 -0.829) 4.574 8.413 ( 2.026 4.650 0.564) 5.104 8.690 ( -1.517 -9.708 -0.398) 9.834 8.891 ( -0.995 -0.592 -0.367) 1.215 9.310 ( 2.410 0.770 -0.135) 2.534 9.612 ( 2.213 10.788 -3.958) 11.702 9.796 ( -1.926 1.112 0.201) 2.233 9.911 ( -4.604 2.866 7.165) 8.986 10.100 ( 1.505 0.100 -3.193) 3.531 10.180 ( -0.115 1.601 -1.154) 1.977 10.338 ( -3.372 -1.796 -2.792) 4.732 10.551 ( -0.721 -0.644 -1.544) 1.822 10.622 ( 1.259 -2.108 -7.502) 7.894 10.696 ( 2.080 -3.049 13.076) 13.587 11.085 ( 0.894 -7.301 1.738) 7.558 11.162 ( 3.220 -3.874 0.384) 5.052 12.166 ( 4.773 0.631 -1.045) 4.927 12.314 ( 2.360 2.949 1.092) 3.931 12.394 ( -2.872 -1.893 0.416) 3.465 12.527 ( 1.222 -1.151 -1.754) 2.428 13.789 ( -2.265 0.322 0.720) 2.399 13.903 ( -1.925 -3.560 1.910) 4.475 13.935 ( -0.135 -0.844 -4.056) 4.145 14.090 ( 0.944 -2.416 0.502) 2.642 14.532 ( 1.293 -1.186 1.934) 2.612 14.617 ( -0.483 -0.977 -0.251) 1.118 14.925 ( -4.253 3.081 -0.510) 5.277 15.043 ( -5.829 5.277 1.210) 7.955 15.328 ( 0.107 -1.342 -0.088) 1.349 15.445 ( -0.579 -0.885 1.130) 1.547 15.542 ( 1.381 -1.222 0.533) 1.920 15.582 ( 2.248 2.468 0.014) 3.338 15.605 ( -0.342 2.483 -0.799) 2.631 15.660 ( -0.435 0.540 -3.053) 3.131 15.749 ( -1.416 0.739 1.998) 2.558 15.849 ( 0.536 4.796 -1.895) 5.185 16.282 ( 2.233 1.590 -2.297) 3.576 16.403 ( 3.170 -1.263 3.821) 5.123 16.704 ( 0.517 -4.268 0.667) 4.350 16.757 ( -2.118 -2.959 -0.344) 3.655 17.558 ( 1.705 -2.221 0.351) 2.822 17.603 ( -2.667 -0.248 -3.783) 4.635 17.644 ( -3.889 -1.648 2.024) 4.684 17.682 ( -3.447 -0.417 1.386) 3.738 21.176 ( 1.463 3.581 0.445) 3.894 21.216 ( 1.414 5.199 0.245) 5.393 21.525 ( -3.687 -2.085 1.354) 4.447 21.567 ( -2.685 -0.771 -1.844) 3.347 26.930 ( -3.687 1.156 -3.610) 5.287 26.967 ( -2.145 -1.116 -0.417) 2.454 27.064 ( -2.304 1.908 4.287) 5.228 27.069 ( -4.587 2.996 0.860) 5.546 28.895 ( 0.075 -1.024 1.186) 1.569 28.900 ( 1.050 -0.363 0.039) 1.111 28.992 ( -1.843 2.170 1.291) 3.126 29.000 ( -1.074 1.672 -1.933) 2.772 29.574 ( -0.544 1.334 -0.568) 1.549 29.653 ( 1.600 0.444 1.387) 2.163 29.909 ( -5.882 -1.009 3.985) 7.176 29.960 ( -6.890 -1.153 -5.930) 9.163 30.330 ( 5.220 3.552 -1.229) 6.433 30.586 ( 4.525 0.533 2.976) 5.442 30.743 ( 0.737 2.839 -0.420) 2.963 30.748 ( -0.300 2.125 1.487) 2.611 30.999 ( -1.731 -1.358 -3.596) 4.215 31.214 ( -1.034 2.247 4.870) 5.462 31.287 ( 1.193 -2.659 -2.057) 3.567 31.680 ( -4.305 0.253 -4.162) 5.994 31.733 ( 0.869 2.862 0.337) 3.010 31.866 ( 1.809 1.487 0.501) 2.394 32.430 ( 6.737 -4.299 1.400) 8.113 32.742 ( 9.468 0.720 -0.265) 9.499 32.870 ( -1.244 1.208 1.308) 2.172 33.045 ( -0.142 5.058 -3.906) 6.392 33.333 ( 5.657 -13.505 8.689) 17.026 34.010 ( 4.052 -10.614 -7.122) 13.408 ======================= Grid point 15 (11/88) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 6.591 2.649 -1.350) 7.230 1.320 ( 1.385 0.483 0.389) 1.518 1.371 ( -1.817 -0.341 -0.180) 1.857 1.414 ( 1.236 0.576 -0.784) 1.573 1.604 ( 4.450 2.246 0.705) 5.034 1.671 ( 2.415 3.406 -0.402) 4.195 1.888 ( 0.322 1.775 0.845) 1.992 1.920 ( 1.421 -2.069 -0.867) 2.655 2.039 ( -7.411 -0.994 -2.283) 7.818 2.085 ( -3.549 -4.130 1.202) 5.577 2.201 ( -0.448 -3.526 1.886) 4.024 2.308 ( 4.089 0.717 0.535) 4.185 2.456 ( 5.075 2.971 -4.528) 7.422 2.666 ( -5.728 3.154 -5.445) 8.510 2.698 ( 4.602 1.449 -1.005) 4.928 2.820 ( -0.332 1.854 2.167) 2.871 2.890 ( 1.920 2.908 3.438) 4.895 3.194 ( -2.585 -5.324 -5.309) 7.951 3.324 ( 0.988 1.446 0.062) 1.753 3.375 ( -3.743 3.665 2.350) 5.741 3.519 ( 2.307 -7.313 -0.169) 7.670 3.640 ( 6.612 -2.267 -2.221) 7.334 3.760 ( 4.793 1.924 1.018) 5.264 3.781 ( 4.871 1.853 0.749) 5.265 3.841 ( 0.308 -1.214 -2.951) 3.206 3.853 ( 4.480 0.822 -0.335) 4.567 4.007 ( 4.154 1.425 -0.702) 4.447 4.135 ( 3.071 8.998 -0.259) 9.511 4.291 ( 6.525 3.371 0.742) 7.382 4.384 ( 2.739 -2.181 -0.696) 3.570 4.472 ( 0.742 8.616 -2.718) 9.065 4.563 ( 0.463 -3.755 6.310) 7.358 4.682 ( 0.592 -4.840 -6.075) 7.790 4.750 ( 0.855 0.954 1.610) 2.057 4.796 ( -3.649 -0.433 3.942) 5.389 4.972 ( 6.536 -0.171 -1.219) 6.651 5.092 ( 2.744 -4.288 3.569) 6.217 5.178 ( -5.638 -4.838 1.234) 7.531 5.243 ( 1.059 2.263 0.860) 2.642 5.370 ( 1.914 -4.273 -0.590) 4.720 5.652 ( -1.488 1.136 2.393) 3.038 5.699 ( 1.867 1.525 -2.412) 3.410 5.879 ( -0.349 1.668 0.841) 1.900 5.971 ( 2.967 -0.080 1.896) 3.522 6.284 ( 3.492 -4.581 -3.730) 6.863 6.371 ( -2.208 -1.786 2.348) 3.685 6.394 ( -3.026 1.784 -0.174) 3.517 6.505 ( -4.455 9.897 0.374) 10.860 6.626 ( -4.430 0.085 -7.568) 8.770 6.887 ( -0.414 0.277 0.539) 0.734 7.148 ( -2.116 3.835 -0.046) 4.380 7.397 ( 2.242 5.267 6.432) 8.610 7.596 ( -4.611 3.038 1.674) 5.770 7.717 ( -5.769 4.248 -3.009) 7.771 7.788 ( -1.355 -4.865 -1.126) 5.174 7.965 ( -3.111 -1.586 1.134) 3.671 8.413 ( 4.313 -2.592 -1.922) 5.387 8.453 ( 1.169 2.453 1.394) 3.054 8.663 ( -1.542 -5.975 1.072) 6.263 8.858 ( -1.593 -0.779 -0.700) 1.907 9.367 ( 2.814 -0.355 0.797) 2.946 9.628 ( 1.793 8.777 -1.805) 9.138 9.757 ( -1.901 0.375 -0.291) 1.960 9.881 ( -2.767 2.422 2.707) 4.566 10.116 ( 2.148 -1.128 -1.940) 3.107 10.162 ( -0.777 1.115 -0.852) 1.604 10.252 ( -3.294 -1.119 -1.991) 4.008 10.510 ( -1.335 0.874 -1.956) 2.524 10.603 ( 0.983 -3.561 -3.282) 4.941 10.822 ( 1.606 -2.262 8.611) 9.047 11.111 ( 0.686 -7.666 0.795) 7.738 11.219 ( 2.099 -3.477 0.765) 4.133 12.232 ( 2.986 -1.226 -1.451) 3.539 12.342 ( -1.245 -1.460 1.278) 2.305 12.374 ( 0.945 2.948 1.394) 3.395 12.521 ( 0.098 0.156 -2.308) 2.315 13.764 ( -0.921 0.252 0.383) 1.029 13.886 ( -1.540 -2.056 2.312) 3.456 13.905 ( 0.270 -2.062 -3.789) 4.322 14.113 ( 0.845 -3.024 0.602) 3.197 14.575 ( 1.988 -0.446 1.194) 2.361 14.624 ( 0.791 0.027 -0.352) 0.866 14.860 ( -2.223 1.598 -0.175) 2.743 14.943 ( -5.018 3.847 0.251) 6.328 15.331 ( 0.054 0.733 -0.086) 0.740 15.430 ( -1.534 3.506 0.938) 3.940 15.571 ( 1.335 -2.402 -1.057) 2.944 15.610 ( 1.396 1.791 -0.691) 2.373 15.634 ( 1.133 -1.184 0.793) 1.820 15.647 ( 2.296 0.772 -0.208) 2.431 15.743 ( -1.325 -0.077 1.779) 2.219 15.830 ( -1.059 2.781 -1.653) 3.404 16.332 ( 4.191 2.717 -1.316) 5.165 16.466 ( 1.319 -1.594 1.357) 2.474 16.684 ( -4.063 -3.277 0.228) 5.225 16.713 ( -0.643 -3.074 0.412) 3.168 17.521 ( -1.775 -0.128 -2.160) 2.798 17.597 ( 0.757 -1.607 -0.537) 1.856 17.601 ( -2.020 -1.458 2.107) 3.263 17.634 ( -2.281 -0.903 0.461) 2.496 21.203 ( 0.853 3.312 0.396) 3.443 21.255 ( 2.465 3.084 -0.243) 3.956 21.470 ( -2.825 -1.464 0.927) 3.314 21.508 ( -2.168 -0.694 -1.205) 2.576 26.829 ( -2.696 1.710 -3.161) 4.492 26.897 ( -2.576 -0.108 -3.014) 3.966 27.028 ( -1.247 1.866 2.269) 3.191 27.100 ( 0.289 0.345 4.038) 4.063 28.904 ( 0.026 -0.348 0.979) 1.039 28.920 ( 1.333 -0.313 -0.909) 1.644 28.964 ( -1.364 1.304 0.219) 1.899 28.980 ( -0.667 1.417 0.251) 1.586 29.562 ( -0.124 0.601 -0.702) 0.932 29.697 ( 2.339 -1.002 -0.284) 2.561 29.806 ( -4.548 -0.825 -3.520) 5.810 29.839 ( -4.762 -1.211 2.963) 5.737 30.421 ( 5.252 2.936 -1.220) 6.139 30.661 ( -3.142 -0.506 2.018) 3.768 30.709 ( 2.573 1.733 3.279) 4.514 30.853 ( 5.623 4.560 -0.018) 7.240 30.924 ( -2.969 -1.096 -1.969) 3.727 31.196 ( -0.685 3.283 1.479) 3.665 31.340 ( 2.596 -2.634 0.717) 3.767 31.498 ( -8.746 3.206 -6.630) 11.434 31.739 ( -0.865 0.308 0.240) 0.949 31.882 ( -0.082 6.889 0.900) 6.948 32.577 ( 6.317 -2.057 3.776) 7.642 32.820 ( 0.286 -4.381 -5.975) 7.415 32.900 ( 1.040 1.853 6.920) 7.239 33.026 ( 2.459 7.399 -5.387) 9.477 33.492 ( 4.127 -15.952 5.894) 17.499 34.024 ( 1.927 -8.913 -3.624) 9.812 ======================= Grid point 16 (12/88) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 0.000 1.857 0.000) 1.857 1.324 ( 0.000 -0.322 0.000) 0.322 1.333 ( -0.000 1.407 0.000) 1.407 1.421 ( 0.000 0.570 0.000) 0.570 1.664 ( 0.000 3.636 0.000) 3.636 1.694 ( 0.000 3.733 0.000) 3.733 1.898 ( -0.000 2.533 -0.000) 2.533 1.931 ( 0.000 -5.836 0.000) 5.836 1.941 ( -0.000 1.543 -0.000) 1.543 2.038 ( 0.000 -4.976 -0.000) 4.976 2.206 ( 0.000 -3.282 -0.000) 3.282 2.411 ( -0.000 2.406 0.000) 2.406 2.468 ( 0.000 -3.327 0.000) 3.327 2.525 ( 0.000 6.879 0.000) 6.879 2.739 ( 0.000 -4.085 0.000) 4.085 2.851 ( 0.000 10.677 -0.000) 10.677 2.924 ( 0.000 -0.217 0.000) 0.217 3.146 ( 0.000 -4.462 0.000) 4.462 3.317 ( 0.000 5.885 -0.000) 5.885 3.354 ( 0.000 0.360 0.000) 0.360 3.538 ( 0.000 -5.241 0.000) 5.241 3.690 ( 0.000 -0.535 0.000) 0.535 3.784 ( 0.000 4.589 0.000) 4.589 3.836 ( 0.000 -1.948 0.000) 1.948 3.849 ( 0.000 0.241 0.000) 0.241 3.948 ( -0.000 -2.677 0.000) 2.677 3.990 ( 0.000 3.111 -0.000) 3.111 4.167 ( 0.000 6.134 0.000) 6.134 4.364 ( 0.000 6.157 0.000) 6.157 4.404 ( -0.000 -2.547 0.000) 2.547 4.466 ( 0.000 7.516 0.000) 7.516 4.611 ( 0.000 -6.253 -0.000) 6.253 4.687 ( 0.000 -3.629 -0.000) 3.629 4.746 ( -0.000 -1.608 0.000) 1.608 4.765 ( 0.000 0.474 0.000) 0.474 5.042 ( 0.000 1.146 -0.000) 1.146 5.093 ( 0.000 -1.869 0.000) 1.869 5.156 ( 0.000 -9.362 0.000) 9.362 5.250 ( 0.000 4.053 0.000) 4.053 5.394 ( 0.000 -1.995 0.000) 1.995 5.641 ( 0.000 0.923 0.000) 0.923 5.721 ( 0.000 0.895 -0.000) 0.895 5.870 ( 0.000 0.377 0.000) 0.377 6.014 ( 0.000 1.900 -0.000) 1.900 6.305 ( 0.000 -7.363 0.000) 7.363 6.360 ( 0.000 -5.788 0.000) 5.788 6.371 ( 0.000 5.673 -0.000) 5.673 6.466 ( 0.000 9.211 0.000) 9.211 6.538 ( 0.000 1.982 -0.000) 1.982 6.887 ( 0.000 -0.284 -0.000) 0.284 7.129 ( 0.000 4.322 0.000) 4.322 7.460 ( 0.000 -0.576 0.000) 0.576 7.588 ( -0.000 10.597 -0.000) 10.597 7.594 ( 0.000 0.402 0.000) 0.402 7.780 ( 0.000 -2.840 0.000) 2.840 7.935 ( 0.000 -0.148 0.000) 0.148 8.461 ( 0.001 1.149 -0.001) 1.149 8.461 ( -0.001 -3.427 0.001) 3.427 8.652 ( -0.000 -3.771 0.000) 3.771 8.837 ( 0.000 -1.086 0.000) 1.086 9.401 ( 0.000 -0.527 0.000) 0.527 9.641 ( 0.000 8.137 0.000) 8.137 9.735 ( 0.000 -0.131 0.000) 0.131 9.861 ( 0.000 1.995 0.000) 1.995 10.139 ( 0.000 -0.608 0.000) 0.608 10.146 ( -0.000 0.343 0.000) 0.343 10.206 ( 0.000 -0.912 0.000) 0.912 10.488 ( 0.000 1.268 0.000) 1.268 10.600 ( 0.000 -3.577 0.000) 3.577 10.873 ( 0.000 -2.356 0.000) 2.356 11.121 ( 0.000 -7.831 0.000) 7.831 11.243 ( 0.000 -3.317 0.000) 3.317 12.252 ( 0.000 -1.803 0.000) 1.803 12.335 ( 0.000 -1.754 0.000) 1.754 12.394 ( -0.000 2.934 0.000) 2.934 12.510 ( 0.000 1.090 0.000) 1.090 13.757 ( 0.000 0.202 0.000) 0.202 13.882 ( 0.000 -0.177 0.000) 0.177 13.891 ( 0.000 -3.717 -0.000) 3.717 14.124 ( 0.000 -3.255 0.000) 3.255 14.614 ( 0.000 0.938 0.000) 0.938 14.621 ( -0.000 0.076 -0.000) 0.076 14.844 ( 0.000 0.942 0.000) 0.942 14.884 ( 0.000 2.433 0.000) 2.433 15.330 ( 0.000 2.145 0.000) 2.145 15.417 ( 0.000 5.090 0.000) 5.090 15.574 ( 0.000 -2.240 0.000) 2.240 15.625 ( 0.000 -0.501 0.000) 0.501 15.652 ( 0.000 0.191 0.000) 0.191 15.689 ( 0.000 -0.547 0.000) 0.547 15.727 ( 0.000 -0.042 0.000) 0.042 15.805 ( 0.000 1.546 0.000) 1.546 16.380 ( 0.000 2.766 0.000) 2.766 16.481 ( 0.000 -1.407 -0.000) 1.407 16.631 ( 0.000 -3.165 0.000) 3.165 16.710 ( 0.000 -2.842 0.000) 2.842 17.496 ( 0.000 -0.032 0.000) 0.032 17.587 ( 0.000 -1.268 0.000) 1.268 17.608 ( 0.000 -1.340 -0.000) 1.340 17.610 ( -0.000 -1.254 0.000) 1.254 21.213 ( 0.000 3.212 0.000) 3.212 21.283 ( 0.000 1.825 0.000) 1.825 21.444 ( 0.000 -0.346 0.000) 0.346 21.480 ( 0.000 -1.040 0.000) 1.040 26.792 ( 0.000 1.476 0.000) 1.476 26.858 ( 0.000 0.146 0.000) 0.146 27.027 ( 0.000 1.667 0.000) 1.667 27.120 ( 0.000 0.227 0.000) 0.227 28.909 ( 0.000 -0.104 0.000) 0.104 28.931 ( 0.000 -0.562 0.000) 0.562 28.950 ( -0.000 1.538 0.000) 1.538 28.975 ( 0.000 1.109 0.000) 1.109 29.559 ( 0.000 0.181 0.000) 0.181 29.715 ( 0.000 -2.311 0.000) 2.311 29.761 ( 0.000 0.008 0.000) 0.008 29.793 ( -0.000 -1.135 0.000) 1.135 30.481 ( 0.000 2.892 0.000) 2.892 30.611 ( -0.000 0.028 0.000) 0.028 30.800 ( -0.000 1.765 -0.000) 1.765 30.821 ( 0.000 1.250 0.000) 1.250 30.943 ( -0.000 0.082 0.000) 0.082 31.261 ( -0.000 9.592 -0.000) 9.592 31.292 ( 0.000 -1.519 0.000) 1.519 31.384 ( 0.000 -1.720 0.000) 1.720 31.727 ( 0.000 0.328 0.000) 0.328 31.884 ( 0.000 8.547 0.000) 8.547 32.685 ( 0.000 2.574 0.000) 2.574 32.766 ( 0.000 -8.755 0.000) 8.755 32.931 ( 0.000 0.279 0.000) 0.279 33.039 ( 0.000 8.269 -0.000) 8.269 33.556 ( 0.000 -16.652 0.000) 16.652 34.028 ( 0.000 -8.322 0.000) 8.322 ======================= Grid point 22 (13/88) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.000 18.151 0.000) 18.151 0.984 ( 0.000 21.374 0.000) 21.374 1.231 ( 0.000 3.611 0.000) 3.611 1.413 ( 0.000 2.826 0.000) 2.826 1.535 ( 0.000 -2.920 0.000) 2.920 1.659 ( 0.000 3.602 0.000) 3.602 1.725 ( 0.000 -7.373 0.000) 7.373 1.749 ( 0.000 0.212 0.000) 0.212 1.894 ( 0.000 9.259 0.000) 9.259 1.981 ( 0.000 6.006 0.000) 6.006 1.991 ( 0.000 -6.759 0.000) 6.759 2.281 ( 0.000 -3.608 0.000) 3.608 2.392 ( 0.000 2.423 0.000) 2.423 2.459 ( 0.000 -1.120 0.000) 1.120 2.534 ( 0.000 -1.789 0.000) 1.789 2.684 ( 0.000 3.747 0.000) 3.747 2.727 ( 0.000 -6.603 0.000) 6.603 2.731 ( 0.000 -4.445 0.000) 4.445 2.868 ( 0.000 -4.307 0.000) 4.307 3.153 ( 0.000 -2.348 0.000) 2.348 3.225 ( 0.000 7.367 0.000) 7.367 3.488 ( 0.000 4.161 0.000) 4.161 3.550 ( 0.000 3.243 0.000) 3.243 3.558 ( 0.000 1.761 0.000) 1.761 3.714 ( 0.000 1.098 0.000) 1.098 3.755 ( 0.000 -9.709 0.000) 9.709 3.903 ( 0.000 -3.359 0.000) 3.359 3.941 ( 0.000 -1.149 0.000) 1.149 4.112 ( 0.000 -1.802 0.000) 1.802 4.209 ( 0.000 2.363 0.000) 2.363 4.287 ( 0.000 2.416 0.000) 2.416 4.302 ( 0.000 -0.382 0.000) 0.382 4.609 ( 0.000 6.830 0.000) 6.830 4.656 ( 0.000 4.684 0.000) 4.684 4.689 ( 0.000 4.713 0.000) 4.713 4.885 ( 0.000 3.888 0.000) 3.888 5.013 ( 0.000 -5.738 0.000) 5.738 5.060 ( 0.000 -11.741 0.000) 11.741 5.308 ( 0.000 0.240 0.000) 0.240 5.490 ( 0.000 -7.674 0.000) 7.674 5.651 ( 0.000 5.489 0.000) 5.489 5.682 ( 0.000 9.236 0.000) 9.236 5.947 ( 0.000 8.638 0.000) 8.638 6.219 ( 0.000 6.880 0.000) 6.880 6.310 ( 0.000 -9.168 0.000) 9.168 6.337 ( 0.000 -0.500 0.000) 0.500 6.690 ( 0.000 4.589 0.000) 4.589 6.835 ( 0.000 -2.722 0.000) 2.722 6.917 ( 0.000 3.098 0.000) 3.098 7.235 ( 0.000 14.631 0.000) 14.631 7.452 ( 0.000 -11.421 0.000) 11.421 7.542 ( 0.000 0.910 0.000) 0.910 7.761 ( 0.000 -7.147 0.000) 7.147 7.873 ( 0.000 -8.463 0.000) 8.463 8.128 ( 0.000 -3.863 0.000) 3.863 8.216 ( 0.000 -1.586 0.000) 1.586 8.216 ( 0.000 0.172 0.000) 0.172 8.355 ( 0.000 4.879 0.000) 4.879 8.463 ( 0.000 -7.024 0.000) 7.024 8.745 ( 0.000 -6.796 0.000) 6.796 9.526 ( 0.000 12.050 0.000) 12.050 9.760 ( 0.000 -2.113 0.000) 2.113 9.880 ( 0.000 6.478 0.000) 6.478 9.994 ( 0.000 7.930 0.000) 7.930 10.192 ( 0.000 -7.059 0.000) 7.059 10.209 ( 0.000 9.233 0.000) 9.233 10.361 ( 0.000 1.789 0.000) 1.789 10.400 ( 0.000 2.544 0.000) 2.544 10.402 ( 0.000 -8.350 0.000) 8.350 10.808 ( 0.000 5.958 0.000) 5.958 10.841 ( 0.000 -14.145 0.000) 14.145 11.009 ( 0.000 -4.250 0.000) 4.250 12.147 ( 0.000 8.862 0.000) 8.862 12.216 ( 0.000 2.406 0.000) 2.406 12.343 ( 0.000 -3.095 0.000) 3.095 12.449 ( 0.000 -4.648 0.000) 4.648 13.868 ( 0.000 -0.359 0.000) 0.359 13.984 ( 0.000 -2.154 0.000) 2.154 14.003 ( 0.000 0.441 0.000) 0.441 14.062 ( 0.000 -3.788 0.000) 3.788 14.437 ( 0.000 0.508 0.000) 0.508 14.666 ( 0.000 -11.524 0.000) 11.524 15.294 ( 0.000 3.788 0.000) 3.788 15.321 ( 0.000 -0.021 0.000) 0.021 15.455 ( 0.000 -1.012 0.000) 1.012 15.470 ( 0.000 0.557 0.000) 0.557 15.622 ( 0.000 5.251 0.000) 5.251 15.644 ( 0.000 1.796 0.000) 1.796 15.714 ( 0.000 -1.788 0.000) 1.788 15.760 ( 0.000 -0.911 0.000) 0.911 15.875 ( 0.000 0.869 0.000) 0.869 15.971 ( 0.000 -1.898 0.000) 1.898 16.158 ( 0.000 1.650 0.000) 1.650 16.307 ( 0.000 -5.183 0.000) 5.183 16.427 ( 0.000 1.407 0.000) 1.407 16.526 ( 0.000 -2.081 0.000) 2.081 17.507 ( 0.000 3.862 0.000) 3.862 17.699 ( 0.000 -4.549 0.000) 4.549 17.813 ( 0.000 0.111 0.000) 0.111 17.817 ( 0.000 -0.100 0.000) 0.100 21.284 ( 0.000 3.815 0.000) 3.815 21.304 ( 0.000 6.208 0.000) 6.208 21.625 ( 0.000 0.749 0.000) 0.749 21.716 ( 0.000 -1.088 0.000) 1.088 26.853 ( 0.000 1.665 0.000) 1.665 26.936 ( 0.000 -2.063 0.000) 2.063 27.492 ( 0.000 7.032 0.000) 7.032 27.765 ( 0.000 -5.440 0.000) 5.440 28.835 ( 0.000 -1.276 0.000) 1.276 28.839 ( 0.000 -0.944 0.000) 0.944 29.160 ( 0.000 4.745 0.000) 4.745 29.284 ( 0.000 -1.538 0.000) 1.538 29.629 ( 0.000 2.587 0.000) 2.587 29.710 ( 0.000 -1.052 0.000) 1.052 30.170 ( 0.000 2.002 0.000) 2.002 30.255 ( 0.000 1.886 0.000) 1.886 30.298 ( 0.000 3.603 0.000) 3.603 30.464 ( 0.000 1.292 0.000) 1.292 30.750 ( 0.000 -5.334 0.000) 5.334 30.763 ( 0.000 -4.725 0.000) 4.725 30.960 ( 0.000 4.805 0.000) 4.805 31.171 ( 0.000 -4.690 0.000) 4.690 31.300 ( 0.000 3.951 0.000) 3.951 31.438 ( 0.000 -1.771 0.000) 1.771 31.477 ( 0.000 0.011 0.000) 0.011 31.493 ( 0.000 -0.423 0.000) 0.423 31.704 ( 0.000 1.897 0.000) 1.897 32.002 ( 0.000 -12.554 0.000) 12.554 32.958 ( 0.000 4.872 0.000) 4.872 33.126 ( 0.000 -1.944 0.000) 1.944 33.270 ( 0.000 8.731 0.000) 8.731 33.606 ( 0.000 -6.929 0.000) 6.929 ======================= Grid point 23 (14/88) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 6.277 12.750 1.283) 14.269 1.069 ( 3.052 9.751 0.551) 10.232 1.253 ( 0.419 4.861 3.189) 5.829 1.439 ( -2.896 -2.990 -4.504) 6.133 1.475 ( 7.691 3.050 0.791) 8.312 1.636 ( 0.821 1.863 -3.912) 4.410 1.775 ( 2.118 -0.045 -3.469) 4.065 1.840 ( 4.178 1.401 5.649) 7.164 1.892 ( 1.735 -2.026 -3.294) 4.239 1.978 ( 3.712 8.241 1.230) 9.122 2.060 ( 3.220 -2.843 2.583) 5.012 2.283 ( -1.058 -4.257 2.866) 5.239 2.407 ( 2.944 6.597 -1.140) 7.314 2.482 ( -3.855 -1.075 2.192) 4.563 2.600 ( 8.310 -1.341 4.053) 9.342 2.710 ( 2.236 0.200 0.111) 2.248 2.775 ( 5.966 -5.939 1.728) 8.593 2.802 ( 6.332 -3.623 1.593) 7.467 2.913 ( 3.952 -2.419 1.550) 4.885 3.212 ( 5.773 -0.970 -0.062) 5.854 3.229 ( 2.613 5.893 -2.285) 6.840 3.462 ( -1.539 1.404 -0.764) 2.219 3.510 ( -0.872 1.133 -4.014) 4.261 3.563 ( 0.308 2.002 -1.330) 2.423 3.718 ( -2.690 -7.990 -1.522) 8.567 3.770 ( 3.507 -0.699 2.578) 4.408 3.926 ( 1.576 0.728 -0.514) 1.810 4.047 ( 6.841 -4.530 1.271) 8.303 4.113 ( -0.948 1.665 4.205) 4.621 4.225 ( 1.962 5.001 -0.583) 5.404 4.308 ( 6.200 -1.665 1.757) 6.656 4.387 ( 5.190 -2.904 -1.037) 6.037 4.537 ( -2.042 8.708 -5.413) 10.455 4.682 ( 1.235 3.750 -1.274) 4.149 4.721 ( 0.734 3.699 5.018) 6.277 4.925 ( 2.812 2.595 1.578) 4.139 4.998 ( 1.341 -6.925 -7.722) 10.459 5.066 ( 0.260 -10.405 0.668) 10.429 5.313 ( 0.102 0.765 0.885) 1.174 5.413 ( -8.367 -2.145 3.809) 9.440 5.677 ( 2.820 1.997 2.153) 4.072 5.715 ( -3.121 5.694 -0.611) 6.522 5.819 ( -3.228 14.151 -1.150) 14.560 6.203 ( -7.639 -2.218 0.827) 7.998 6.263 ( 2.989 4.140 -4.394) 6.736 6.390 ( 2.292 -5.694 -0.958) 6.212 6.678 ( -3.035 2.564 4.219) 5.796 6.833 ( -2.659 -4.060 4.479) 6.604 6.895 ( -0.085 7.273 -3.873) 8.241 7.206 ( -0.949 13.777 -4.360) 14.482 7.397 ( -5.309 -5.850 2.528) 8.295 7.554 ( -1.204 -1.136 0.618) 1.767 7.766 ( -0.682 -6.534 2.508) 7.032 7.834 ( -2.348 -7.231 -2.727) 8.077 8.057 ( -5.547 -2.773 -0.681) 6.238 8.108 ( -3.509 -2.221 -5.875) 7.195 8.262 ( -1.530 -1.629 3.211) 3.912 8.395 ( 2.729 -3.117 -0.725) 4.206 8.465 ( 1.322 -0.555 0.032) 1.435 8.773 ( 2.700 -6.205 -0.120) 6.768 9.499 ( -2.181 11.826 -0.981) 12.065 9.774 ( 0.087 -1.598 2.293) 2.796 9.902 ( 1.835 8.908 -3.940) 9.912 9.998 ( -1.238 2.884 4.474) 5.465 10.186 ( -3.259 3.154 7.727) 8.960 10.248 ( 4.684 0.710 -4.905) 6.819 10.338 ( -1.483 3.053 1.740) 3.814 10.391 ( -0.690 -4.583 4.297) 6.320 10.447 ( 3.768 -2.197 -3.516) 5.602 10.776 ( -1.751 2.818 -2.033) 3.891 10.850 ( 1.008 -11.747 -1.339) 11.866 10.990 ( -0.321 -5.161 -2.821) 5.891 12.153 ( 0.741 7.463 -0.334) 7.507 12.247 ( 2.763 3.002 0.706) 4.141 12.365 ( 1.227 -3.706 1.125) 4.063 12.443 ( -0.147 -4.036 -0.489) 4.068 13.861 ( -1.098 -0.381 0.797) 1.409 13.944 ( -3.243 -1.456 -0.777) 3.639 13.991 ( -1.477 -0.203 0.046) 1.491 14.049 ( -1.309 -3.730 0.363) 3.970 14.446 ( 0.939 0.372 0.203) 1.030 14.631 ( -1.895 -8.798 -2.796) 9.424 15.199 ( -5.545 2.978 -1.054) 6.382 15.309 ( -2.784 -2.535 -0.035) 3.765 15.461 ( 0.181 5.208 0.018) 5.211 15.491 ( -1.311 1.359 -0.491) 1.951 15.560 ( -5.102 3.012 0.134) 5.926 15.622 ( -1.086 2.626 0.174) 2.847 15.699 ( -2.776 -0.967 -3.681) 4.711 15.732 ( -1.784 -0.749 -0.471) 1.991 15.832 ( -3.306 5.519 2.740) 6.993 15.893 ( 1.049 0.463 0.807) 1.402 16.271 ( 0.172 0.245 -3.275) 3.288 16.306 ( 4.796 -1.324 1.617) 5.231 16.459 ( 3.126 -2.361 1.389) 4.157 16.595 ( 5.422 -5.481 -0.423) 7.721 17.484 ( -1.405 3.420 0.244) 3.705 17.678 ( -2.388 -4.807 0.525) 5.393 17.779 ( -2.028 0.466 -2.548) 3.290 17.796 ( -2.488 -0.252 0.279) 2.516 21.269 ( -0.913 5.464 0.270) 5.546 21.319 ( 0.235 5.266 1.613) 5.513 21.600 ( -2.869 -0.056 0.900) 3.007 21.678 ( -3.070 -1.286 -1.057) 3.492 26.875 ( 0.634 1.062 3.846) 4.040 26.943 ( -0.190 -1.810 2.339) 2.964 27.427 ( -6.027 5.664 -1.395) 8.388 27.585 ( -13.611 0.018 -4.651) 14.384 28.843 ( 0.342 -1.096 0.903) 1.460 28.847 ( 0.642 -0.880 0.416) 1.166 29.134 ( -2.369 3.932 -0.262) 4.598 29.200 ( -5.548 1.278 -2.206) 6.106 29.643 ( 0.012 1.899 2.415) 3.072 29.656 ( -3.870 1.516 2.413) 4.807 30.112 ( -5.581 1.963 0.817) 5.973 30.218 ( -4.015 -2.038 -1.570) 4.769 30.312 ( 2.153 7.071 -0.134) 7.393 30.477 ( 1.138 1.524 0.618) 2.000 30.743 ( 0.101 -2.810 -1.075) 3.010 30.771 ( 0.476 -4.456 -0.664) 4.531 31.002 ( 3.866 3.688 -3.334) 6.298 31.151 ( -0.342 1.613 0.524) 1.730 31.318 ( 2.034 -1.763 -2.648) 3.775 31.456 ( 3.300 -3.499 0.811) 4.877 31.571 ( 7.380 1.568 3.617) 8.367 31.760 ( 7.208 0.705 0.931) 7.302 31.851 ( 21.649 -10.737 4.776) 24.632 32.059 ( 7.831 -10.818 -2.668) 13.619 32.943 ( -1.675 5.258 0.807) 5.577 33.129 ( -0.927 -3.142 0.489) 3.312 33.254 ( -1.048 8.660 -1.036) 8.784 33.628 ( 3.192 -9.542 -1.731) 10.210 ======================= Grid point 24 (15/88) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 2.311 2.128 -2.302) 3.895 1.115 ( 9.636 3.043 0.894) 10.144 1.273 ( 0.510 4.348 1.499) 4.627 1.398 ( -0.248 -1.814 0.075) 1.833 1.602 ( 2.021 3.262 -0.234) 3.844 1.652 ( 2.690 2.485 -2.171) 4.257 1.784 ( 2.833 -0.091 -3.570) 4.558 1.871 ( 0.648 -3.344 0.060) 3.407 1.965 ( 2.275 0.413 2.054) 3.093 2.112 ( 5.916 0.928 2.758) 6.592 2.148 ( 5.697 -0.409 1.362) 5.872 2.276 ( -3.561 -6.854 4.478) 8.928 2.399 ( -1.010 8.641 -1.726) 8.870 2.518 ( 5.652 5.443 2.463) 8.224 2.716 ( 1.775 0.308 -2.505) 3.085 2.802 ( 6.245 -0.217 3.951) 7.393 2.935 ( 6.608 -2.841 1.608) 7.370 3.015 ( 12.877 -6.716 4.323) 15.153 3.036 ( 8.447 0.526 0.272) 8.468 3.306 ( 6.101 3.281 -1.889) 7.180 3.311 ( 4.093 0.417 -3.482) 5.390 3.422 ( -0.541 -3.167 -5.105) 6.032 3.521 ( 1.132 -1.849 0.290) 2.188 3.562 ( 7.209 -0.798 0.197) 7.255 3.695 ( 2.474 6.574 -1.337) 7.151 3.859 ( 2.755 -0.846 0.443) 2.916 3.921 ( -1.589 -2.081 0.348) 2.641 4.086 ( 1.795 -5.880 -3.528) 7.088 4.152 ( 1.548 6.206 3.576) 7.329 4.335 ( 4.798 3.025 0.688) 5.713 4.428 ( 3.898 -3.069 1.369) 5.146 4.478 ( 7.459 -5.942 -6.232) 11.393 4.538 ( 5.499 7.897 0.556) 9.639 4.714 ( 2.433 3.421 0.675) 4.252 4.751 ( -1.842 3.342 6.227) 7.303 4.929 ( -1.811 -6.144 -7.640) 9.970 4.992 ( 1.745 3.464 2.108) 4.415 5.090 ( 3.518 -9.686 -1.632) 10.434 5.273 ( -8.944 -3.301 6.187) 11.365 5.302 ( -4.130 2.303 1.549) 4.976 5.622 ( -0.793 9.693 0.630) 9.746 5.751 ( 4.253 1.969 -2.872) 5.496 5.865 ( 4.014 5.989 -0.308) 7.217 6.057 ( -8.375 0.659 2.113) 8.663 6.255 ( 0.085 2.621 -3.652) 4.495 6.390 ( -1.284 -6.741 -1.410) 7.005 6.632 ( -5.599 2.643 4.230) 7.499 6.790 ( -3.232 -4.923 -0.599) 5.920 6.866 ( -0.999 10.016 -1.433) 10.168 7.137 ( -3.339 10.674 -3.852) 11.828 7.322 ( -3.836 0.687 1.796) 4.291 7.491 ( -4.985 1.319 1.261) 5.309 7.741 ( -3.158 -2.263 0.536) 3.922 7.797 ( -1.776 -10.485 2.703) 10.972 7.949 ( -5.613 -4.618 -0.927) 7.328 7.982 ( -4.813 -1.002 -4.522) 6.679 8.259 ( 0.067 -1.481 1.767) 2.306 8.425 ( 1.917 -11.855 -0.845) 12.039 8.514 ( 2.966 7.671 -0.482) 8.239 8.825 ( 2.519 -5.341 -0.447) 5.922 9.444 ( -2.485 10.937 -0.670) 11.236 9.782 ( -0.835 -0.723 1.239) 1.660 9.875 ( -0.726 7.478 -4.226) 8.620 9.992 ( -3.473 1.054 4.700) 5.938 10.160 ( -1.858 2.390 -0.779) 3.126 10.272 ( 1.960 5.898 -4.551) 7.703 10.359 ( -0.503 -1.192 0.189) 1.307 10.433 ( 0.862 -3.404 6.111) 7.048 10.510 ( 3.568 -2.064 4.859) 6.372 10.717 ( -1.866 3.444 -4.066) 5.646 10.863 ( 0.839 -12.215 0.555) 12.256 10.984 ( 2.059 -7.076 -1.673) 7.556 12.170 ( 1.459 4.924 -0.556) 5.166 12.315 ( 3.223 3.481 1.104) 4.871 12.370 ( -0.968 -4.339 -0.306) 4.456 12.460 ( 2.139 -2.619 -0.168) 3.385 13.837 ( -2.249 -0.149 0.913) 2.432 13.874 ( -2.840 -1.605 -0.685) 3.333 13.960 ( -1.512 -0.331 -0.372) 1.592 14.028 ( -0.978 -3.333 0.277) 3.485 14.474 ( 1.878 -0.099 0.012) 1.881 14.581 ( -0.515 -4.857 -3.150) 5.812 15.100 ( -4.722 3.769 0.062) 6.042 15.247 ( -5.040 -2.380 0.677) 5.615 15.366 ( -4.217 9.482 0.058) 10.377 15.456 ( -1.936 1.750 -1.345) 2.936 15.526 ( -0.798 -0.685 0.544) 1.184 15.588 ( -1.582 0.447 0.455) 1.706 15.677 ( 0.528 0.073 -0.417) 0.677 15.691 ( -0.787 1.193 -1.470) 2.050 15.822 ( -1.669 3.118 1.075) 3.696 15.912 ( 0.348 0.070 0.185) 0.400 16.284 ( 3.014 4.025 -1.369) 5.212 16.362 ( 2.126 2.983 0.260) 3.673 16.543 ( 3.280 -5.988 1.890) 7.084 16.667 ( 2.397 -6.769 -1.225) 7.285 17.485 ( 0.885 0.883 1.229) 1.753 17.626 ( -3.244 -4.425 0.484) 5.508 17.708 ( -3.479 0.546 -2.099) 4.100 17.736 ( -3.831 -0.528 0.289) 3.878 21.262 ( -0.305 5.853 0.798) 5.915 21.332 ( -0.033 5.630 1.139) 5.744 21.539 ( -4.297 -1.769 1.314) 4.829 21.604 ( -3.262 -2.067 -1.763) 4.245 26.924 ( 0.804 0.269 4.155) 4.240 26.961 ( -0.292 -1.198 3.067) 3.306 27.267 ( -8.994 3.748 -2.010) 9.949 27.300 ( -11.409 2.828 -4.300) 12.516 28.860 ( 0.628 -0.673 1.169) 1.488 28.867 ( 1.008 -0.703 0.648) 1.389 29.081 ( -2.895 2.556 -0.014) 3.863 29.097 ( -3.582 1.898 -1.806) 4.438 29.627 ( -1.550 2.081 2.056) 3.310 29.655 ( -0.606 1.224 2.209) 2.597 30.000 ( -6.882 0.972 1.520) 7.115 30.093 ( -6.935 -2.584 -3.348) 8.123 30.363 ( 3.542 6.753 -1.035) 7.696 30.519 ( 2.547 0.868 1.409) 3.037 30.754 ( 1.641 0.040 0.111) 1.645 30.769 ( 0.245 -2.219 -1.156) 2.514 31.024 ( 1.085 2.461 -3.174) 4.160 31.173 ( 2.991 -0.135 -2.639) 3.991 31.312 ( -1.061 1.164 0.488) 1.649 31.553 ( 4.060 -6.773 2.040) 8.156 31.771 ( 8.588 4.338 6.939) 11.862 31.867 ( 5.313 6.108 -3.770) 8.930 32.144 ( 9.561 -9.078 -0.994) 13.221 32.342 ( 19.315 -14.870 0.173) 24.376 32.917 ( -2.288 4.027 2.484) 5.256 33.087 ( -3.791 -4.303 2.284) 6.173 33.225 ( -0.597 9.321 -1.785) 9.509 33.690 ( 5.117 -13.410 -3.713) 14.826 ======================= Grid point 25 (16/88) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 5.430 3.365 -2.452) 6.843 1.261 ( 4.929 -0.451 -1.314) 5.121 1.342 ( 5.360 0.800 0.833) 5.483 1.395 ( -0.660 -0.618 0.040) 0.905 1.607 ( 0.671 4.340 -0.022) 4.392 1.692 ( 3.482 3.597 -1.514) 5.230 1.796 ( 0.137 -4.735 -0.147) 4.740 1.897 ( 1.428 -1.407 0.492) 2.064 2.005 ( 1.109 -1.956 0.983) 2.454 2.164 ( -1.234 -0.173 3.149) 3.387 2.200 ( -7.120 -4.029 3.707) 8.982 2.258 ( 2.719 -1.961 -0.280) 3.364 2.433 ( 5.815 7.628 -2.923) 10.027 2.659 ( 4.543 -0.694 2.034) 5.025 2.718 ( 3.353 6.331 -2.743) 7.671 2.924 ( 2.935 1.592 -0.067) 3.340 2.995 ( 1.699 5.331 -3.935) 6.840 3.141 ( 0.773 -2.861 0.234) 2.972 3.195 ( 3.172 -5.883 -4.105) 7.844 3.355 ( 5.395 -2.604 3.202) 6.793 3.405 ( 1.471 -3.010 -2.178) 3.996 3.430 ( 7.972 -1.170 -0.375) 8.066 3.622 ( 9.434 1.756 1.783) 9.760 3.761 ( 4.866 8.255 -2.698) 9.955 3.811 ( 12.231 0.566 -0.597) 12.258 3.865 ( 0.327 -1.471 -1.283) 1.979 3.881 ( 2.064 0.707 0.002) 2.182 4.161 ( 3.995 -1.976 2.082) 4.920 4.233 ( 5.646 1.388 1.429) 5.987 4.374 ( -1.282 3.035 3.512) 4.816 4.496 ( 5.619 -4.360 -7.459) 10.306 4.539 ( 3.504 -0.649 -5.625) 6.659 4.636 ( 2.031 1.688 -1.116) 2.867 4.741 ( -0.786 3.122 4.202) 5.293 4.814 ( 2.973 1.502 6.285) 7.114 4.833 ( -3.054 -0.831 -1.151) 3.367 5.046 ( 2.533 2.877 1.822) 4.245 5.153 ( 0.038 -5.779 1.811) 6.056 5.189 ( -1.850 -5.241 5.231) 7.632 5.230 ( -2.434 -2.333 -1.543) 3.708 5.665 ( 2.181 6.914 2.173) 7.568 5.770 ( 2.162 3.108 -7.891) 8.753 5.918 ( -2.029 -0.875 4.546) 5.055 5.963 ( 0.335 4.237 -0.645) 4.299 6.222 ( -1.106 -0.796 -2.476) 2.826 6.333 ( -3.585 -6.587 -0.592) 7.523 6.543 ( -5.419 4.470 1.658) 7.218 6.714 ( -1.464 -2.363 -7.154) 7.675 6.827 ( -3.826 10.652 2.880) 11.679 7.029 ( -5.025 7.595 -1.709) 9.266 7.276 ( -1.969 5.150 -0.400) 5.528 7.448 ( -1.211 3.341 4.192) 5.495 7.691 ( -3.902 -3.357 3.452) 6.198 7.737 ( -4.617 -7.422 -3.799) 9.531 7.837 ( -5.749 -2.365 2.550) 6.719 7.904 ( -1.536 -4.734 -1.052) 5.087 8.299 ( 2.762 -1.298 1.036) 3.223 8.463 ( 2.080 -10.760 0.673) 10.980 8.550 ( 1.934 8.272 -2.293) 8.800 8.843 ( -0.312 -4.406 -0.704) 4.473 9.414 ( -0.567 8.640 1.207) 8.743 9.760 ( -2.001 -3.092 -0.413) 3.706 9.825 ( -1.120 7.036 -2.813) 7.660 9.964 ( -2.532 1.751 4.074) 5.106 10.125 ( 0.120 2.452 -3.996) 4.690 10.260 ( 0.369 4.459 -4.575) 6.400 10.313 ( -3.093 0.935 -0.873) 3.347 10.476 ( 0.429 -3.898 2.191) 4.492 10.582 ( -0.308 -2.941 -2.038) 3.591 10.710 ( 1.764 5.248 7.811) 9.574 10.885 ( 0.631 -12.252 1.293) 12.336 11.036 ( 3.247 -8.104 0.894) 8.776 12.200 ( 2.068 2.611 -0.369) 3.351 12.329 ( -1.602 -2.649 -0.074) 3.097 12.391 ( 2.623 2.738 0.646) 3.846 12.496 ( 1.986 -1.908 -1.182) 2.997 13.798 ( -1.897 0.439 0.105) 1.949 13.836 ( -1.378 -2.447 0.309) 2.826 13.928 ( -1.093 0.254 -1.512) 1.883 14.023 ( -0.013 -3.757 0.881) 3.859 14.518 ( 2.826 -0.181 -0.137) 2.835 14.572 ( 1.924 -2.667 -2.476) 4.116 15.011 ( -5.300 4.535 0.647) 7.005 15.127 ( -7.306 1.342 0.734) 7.464 15.356 ( 1.148 4.413 0.506) 4.588 15.429 ( -0.113 0.213 1.181) 1.205 15.523 ( 0.305 -0.829 0.647) 1.095 15.579 ( 0.032 -2.071 0.369) 2.104 15.663 ( 0.273 2.403 -1.279) 2.736 15.693 ( 0.311 1.219 -1.683) 2.101 15.782 ( -2.770 2.881 0.842) 4.085 15.902 ( -1.225 -0.360 -1.071) 1.666 16.340 ( 3.114 4.528 0.010) 5.496 16.413 ( 2.705 2.712 0.238) 3.838 16.598 ( 1.127 -5.848 1.799) 6.222 16.665 ( -1.124 -5.906 -1.603) 6.222 17.521 ( 1.411 -1.040 1.102) 2.071 17.574 ( -2.154 -2.577 -0.410) 3.384 17.625 ( -3.887 0.195 -0.439) 3.917 17.666 ( -3.755 -1.154 0.295) 3.940 21.269 ( 0.367 5.158 0.605) 5.206 21.337 ( -0.019 5.895 0.334) 5.904 21.471 ( -3.607 -3.080 0.937) 4.835 21.536 ( -2.756 -2.421 -1.327) 3.901 26.944 ( -1.094 0.358 -0.638) 1.317 26.958 ( -1.974 -0.114 -1.235) 2.331 27.109 ( -4.977 2.237 2.047) 5.828 27.122 ( -6.087 1.920 0.339) 6.391 28.882 ( 0.730 -0.229 1.119) 1.356 28.892 ( 1.245 -0.444 0.203) 1.337 29.030 ( -2.425 1.545 -0.313) 2.892 29.036 ( -2.011 1.452 -0.534) 2.537 29.611 ( -1.299 2.105 0.080) 2.475 29.661 ( -0.052 0.096 1.217) 1.221 29.889 ( -6.291 -0.713 2.117) 6.676 29.926 ( -7.130 -1.999 -3.819) 8.332 30.427 ( 4.086 5.638 -1.085) 7.047 30.588 ( 3.115 -0.868 1.980) 3.792 30.753 ( -1.180 0.674 0.653) 1.508 30.820 ( 3.963 0.695 1.570) 4.319 30.998 ( -0.356 2.871 -4.430) 5.291 31.207 ( 2.573 -4.576 -3.227) 6.162 31.301 ( -0.996 5.813 2.535) 6.420 31.593 ( -1.807 -6.789 1.120) 7.114 31.892 ( 1.495 10.450 -5.234) 11.783 31.968 ( 6.352 9.375 6.314) 12.965 32.307 ( 9.608 -7.924 -2.996) 12.809 32.648 ( 12.794 -12.419 -1.045) 17.861 32.892 ( -2.570 1.364 2.991) 4.173 33.060 ( -1.828 -9.621 5.558) 11.260 33.214 ( 1.006 11.076 -1.745) 11.258 33.749 ( 4.086 -14.248 -3.699) 15.277 ======================= Grid point 26 (17/88) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 5.138 3.962 -1.062) 6.574 1.321 ( 2.264 -0.305 -0.384) 2.316 1.365 ( -1.691 -0.169 -0.263) 1.720 1.414 ( 1.876 -0.953 -1.065) 2.358 1.660 ( 3.923 2.897 1.184) 5.019 1.752 ( 3.255 4.209 -0.820) 5.384 1.804 ( 0.794 -6.089 0.615) 6.172 1.921 ( 0.637 -1.608 -0.222) 1.744 2.006 ( -1.091 0.050 -1.035) 1.505 2.074 ( -7.430 1.831 1.037) 7.722 2.147 ( -2.722 -1.945 3.891) 5.132 2.300 ( 3.644 -2.379 -1.116) 4.492 2.501 ( 3.297 3.574 -4.642) 6.723 2.665 ( -0.722 -1.544 -0.629) 1.817 2.800 ( -0.601 7.429 -4.341) 8.625 2.892 ( 4.107 5.173 -0.109) 6.606 3.038 ( -0.502 3.482 -1.078) 3.679 3.085 ( -0.577 -0.649 -0.844) 1.211 3.253 ( 3.614 -7.321 -0.451) 8.177 3.376 ( -4.009 -3.230 1.441) 5.346 3.464 ( 3.669 1.339 2.558) 4.669 3.586 ( 7.446 -2.712 -2.368) 8.270 3.794 ( 2.575 2.530 -2.453) 4.364 3.826 ( 8.392 2.600 1.079) 8.851 3.833 ( -0.517 -0.269 -1.036) 1.189 3.913 ( 3.471 4.737 1.537) 6.070 4.081 ( 6.874 2.663 0.475) 7.387 4.247 ( 4.242 -3.906 2.261) 6.194 4.353 ( 5.187 0.019 -1.910) 5.528 4.357 ( -1.061 5.565 1.170) 5.785 4.487 ( -1.705 -1.248 0.706) 2.228 4.573 ( 3.169 -3.506 -7.499) 8.864 4.620 ( 1.376 5.357 -1.540) 5.742 4.752 ( -2.723 -1.776 5.416) 6.317 4.780 ( -0.922 -0.628 -3.599) 3.767 4.919 ( 1.927 -2.451 4.300) 5.311 5.083 ( 1.521 0.773 -2.951) 3.409 5.117 ( -4.973 -1.342 5.792) 7.751 5.233 ( 1.624 -2.640 5.974) 6.730 5.271 ( 5.345 -4.886 -1.156) 7.333 5.703 ( 0.598 6.857 0.088) 6.883 5.744 ( 0.893 2.875 -3.626) 4.713 5.880 ( -3.760 -1.843 3.926) 5.740 6.030 ( 6.080 1.025 -3.515) 7.097 6.174 ( -2.501 -4.566 -1.036) 5.308 6.265 ( -3.173 -5.628 0.899) 6.523 6.476 ( -2.581 5.271 0.688) 5.909 6.631 ( -1.406 0.079 -6.658) 6.805 6.778 ( -2.889 13.942 1.822) 14.354 6.948 ( -2.745 4.513 -0.117) 5.283 7.246 ( -0.842 6.939 -0.541) 7.011 7.484 ( 0.668 3.572 3.902) 5.332 7.593 ( -4.670 -3.168 -1.841) 5.936 7.684 ( -1.383 -5.050 2.560) 5.829 7.755 ( -4.373 -1.789 0.624) 4.766 7.885 ( -0.544 -6.850 0.009) 6.871 8.364 ( 3.266 -1.150 0.291) 3.474 8.497 ( 0.139 -5.820 0.967) 5.901 8.562 ( 1.633 4.843 -1.843) 5.433 8.812 ( -1.893 -3.949 -0.673) 4.431 9.436 ( 0.954 6.044 2.116) 6.475 9.708 ( -2.344 -5.227 -0.673) 5.768 9.805 ( 0.356 8.181 -1.118) 8.264 9.954 ( -1.394 4.042 1.933) 4.692 10.106 ( 1.091 0.183 -3.159) 3.347 10.213 ( -1.557 1.092 -3.593) 4.065 10.260 ( -1.759 5.009 -0.239) 5.314 10.489 ( -0.016 -4.765 0.584) 4.801 10.542 ( -0.878 0.277 -2.195) 2.380 10.812 ( 1.749 2.395 6.217) 6.888 10.903 ( 0.168 -12.591 1.106) 12.641 11.099 ( 2.045 -8.060 1.309) 8.418 12.234 ( 1.602 1.187 -0.571) 2.074 12.305 ( -0.969 -1.840 0.861) 2.251 12.433 ( 1.397 2.656 0.200) 3.008 12.514 ( 0.987 -0.996 -1.355) 1.950 13.773 ( -0.762 0.488 -0.177) 0.922 13.821 ( -0.663 -2.860 0.553) 2.987 13.900 ( -0.578 0.982 -1.295) 1.725 14.033 ( 0.243 -4.511 0.681) 4.569 14.576 ( 3.401 0.472 0.056) 3.434 14.610 ( 3.148 -1.062 -1.360) 3.590 14.918 ( -4.468 3.581 0.356) 5.737 14.999 ( -6.365 1.190 0.098) 6.476 15.383 ( 1.130 3.937 0.789) 4.172 15.467 ( 1.746 -0.040 2.797) 3.298 15.540 ( 0.803 -0.004 -0.565) 0.982 15.595 ( 0.982 -2.386 0.858) 2.719 15.659 ( -0.203 2.704 -2.722) 3.842 15.678 ( 0.983 1.508 -0.747) 1.950 15.750 ( -1.863 1.056 1.749) 2.765 15.852 ( -2.558 -1.007 -1.717) 3.241 16.401 ( 3.174 3.826 0.283) 4.979 16.452 ( 1.447 0.963 -0.151) 1.745 16.600 ( -2.819 -4.661 -0.304) 5.456 16.631 ( -0.139 -4.723 0.428) 4.745 17.522 ( -1.247 0.290 -1.258) 1.795 17.559 ( 0.822 -1.832 -0.029) 2.008 17.573 ( -2.037 -1.006 1.496) 2.720 17.606 ( -2.564 -1.735 0.081) 3.097 21.282 ( 0.681 4.207 0.150) 4.264 21.335 ( -0.302 4.501 -0.054) 4.511 21.429 ( -1.192 -2.588 0.643) 2.921 21.481 ( -2.234 -2.036 -0.664) 3.095 26.867 ( -2.854 1.707 -3.133) 4.569 26.896 ( -2.291 -0.027 -2.792) 3.612 27.069 ( -1.549 1.921 2.486) 3.503 27.106 ( -0.201 0.071 3.652) 3.659 28.902 ( 0.564 0.153 0.782) 0.977 28.914 ( 1.128 -0.292 -0.474) 1.258 28.993 ( -1.313 1.319 0.001) 1.861 29.005 ( -1.196 0.851 0.157) 1.476 29.584 ( -0.946 1.578 -0.871) 2.036 29.668 ( 0.260 -1.896 -0.683) 2.032 29.787 ( -4.068 -0.723 -1.343) 4.344 29.809 ( -4.342 -1.528 1.655) 4.891 30.497 ( 4.149 4.297 -0.898) 6.040 30.636 ( -0.717 -2.070 1.504) 2.657 30.756 ( 1.644 2.982 1.749) 3.828 30.886 ( -0.525 -2.402 1.127) 2.705 30.979 ( 2.816 6.777 -2.336) 7.702 31.216 ( 1.080 -3.167 -1.458) 3.650 31.322 ( 1.041 2.771 1.903) 3.519 31.504 ( -6.347 -3.233 -2.097) 7.425 31.869 ( 0.062 12.830 -3.249) 13.235 32.095 ( 3.052 14.808 3.515) 15.523 32.455 ( 7.359 -10.753 -1.079) 13.074 32.772 ( 1.924 -1.765 -2.599) 3.684 32.890 ( -0.125 -2.898 3.316) 4.406 33.092 ( 1.447 -19.484 2.196) 19.661 33.235 ( 1.268 11.947 0.596) 12.028 33.787 ( 2.252 -13.721 -1.959) 14.042 ======================= Grid point 27 (18/88) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.000 1.766 0.000) 1.766 1.318 ( -0.000 -0.301 0.000) 0.301 1.355 ( 0.000 1.104 0.000) 1.104 1.422 ( 0.000 -0.706 0.000) 0.706 1.726 ( 0.000 1.489 0.000) 1.489 1.781 ( 0.000 4.105 0.000) 4.105 1.810 ( 0.000 -4.989 -0.000) 4.989 1.932 ( -0.000 -5.100 0.000) 5.100 1.975 ( 0.000 2.588 0.000) 2.588 1.992 ( 0.000 7.247 -0.000) 7.247 2.137 ( 0.000 -3.986 -0.000) 3.986 2.355 ( -0.000 -7.061 0.000) 7.061 2.489 ( 0.000 5.679 0.000) 5.679 2.653 ( 0.000 2.772 0.000) 2.772 2.754 ( 0.000 5.250 0.000) 5.250 2.982 ( -0.000 5.021 0.000) 5.021 2.992 ( 0.000 -2.765 0.000) 2.765 3.092 ( 0.000 5.428 0.000) 5.428 3.306 ( -0.000 -3.322 0.000) 3.322 3.314 ( 0.000 -5.977 -0.000) 5.977 3.513 ( 0.000 2.063 0.000) 2.063 3.649 ( 0.000 -3.046 -0.000) 3.046 3.807 ( 0.000 0.085 0.000) 0.085 3.814 ( 0.000 -0.068 0.000) 0.068 3.949 ( -0.000 2.973 -0.000) 2.973 3.951 ( 0.000 6.160 0.000) 6.160 4.112 ( 0.000 5.107 -0.000) 5.107 4.290 ( 0.000 1.918 0.000) 1.918 4.348 ( 0.000 -0.672 0.000) 0.672 4.444 ( -0.000 1.345 0.000) 1.345 4.462 ( 0.000 -4.561 -0.000) 4.561 4.539 ( 0.000 0.121 0.000) 0.121 4.690 ( -0.000 4.814 0.000) 4.814 4.715 ( 0.000 -1.727 0.000) 1.727 4.747 ( -0.000 -2.727 -0.000) 2.727 4.950 ( -0.000 -6.894 0.000) 6.894 5.070 ( 0.000 -0.674 -0.000) 0.674 5.103 ( -0.000 0.128 0.000) 0.128 5.282 ( 0.000 -0.540 -0.000) 0.540 5.329 ( 0.000 -3.146 0.000) 3.146 5.700 ( 0.000 7.299 -0.000) 7.299 5.751 ( -0.000 1.982 -0.000) 1.982 5.854 ( 0.000 -2.150 0.000) 2.150 6.101 ( 0.000 4.068 -0.000) 4.068 6.123 ( -0.000 -10.468 0.000) 10.468 6.238 ( 0.000 -5.201 0.000) 5.201 6.456 ( 0.000 4.849 -0.000) 4.849 6.586 ( 0.000 1.513 0.000) 1.513 6.757 ( 0.000 15.615 -0.000) 15.615 6.921 ( 0.000 2.890 -0.000) 2.890 7.235 ( 0.000 7.118 0.000) 7.118 7.497 ( 0.000 4.161 0.000) 4.161 7.555 ( -0.000 -2.952 0.000) 2.952 7.689 ( 0.000 -6.264 0.000) 6.264 7.701 ( 0.000 -0.647 -0.000) 0.647 7.880 ( 0.000 -6.679 0.000) 6.679 8.404 ( 0.000 -1.307 0.000) 1.307 8.491 ( -0.000 -1.153 0.000) 1.153 8.577 ( 0.000 0.836 0.000) 0.836 8.787 ( 0.000 -3.971 0.000) 3.971 9.458 ( 0.000 4.922 0.000) 4.922 9.682 ( 0.000 -5.120 0.000) 5.120 9.807 ( 0.000 8.048 0.000) 8.048 9.944 ( 0.000 5.866 -0.000) 5.866 10.111 ( 0.000 -2.847 0.000) 2.847 10.176 ( 0.000 2.225 0.000) 2.225 10.243 ( 0.000 5.452 -0.000) 5.452 10.491 ( 0.000 -5.629 0.000) 5.629 10.525 ( 0.000 1.468 0.000) 1.468 10.854 ( 0.000 1.720 0.000) 1.720 10.907 ( 0.000 -12.864 0.000) 12.864 11.124 ( 0.000 -8.026 0.000) 8.026 12.245 ( 0.000 0.905 0.000) 0.905 12.302 ( 0.000 -1.462 0.000) 1.462 12.447 ( 0.000 2.391 0.000) 2.391 12.517 ( 0.000 -0.523 0.000) 0.523 13.765 ( 0.000 0.453 0.000) 0.453 13.817 ( 0.000 -3.059 0.000) 3.059 13.889 ( 0.000 1.374 0.000) 1.374 14.039 ( 0.000 -4.853 0.000) 4.853 14.629 ( 0.000 0.547 0.000) 0.547 14.631 ( -0.000 0.606 -0.000) 0.606 14.875 ( 0.000 2.098 0.000) 2.098 14.924 ( 0.000 1.009 0.000) 1.009 15.400 ( 0.000 4.268 0.000) 4.268 15.518 ( -0.000 -2.516 -0.000) 2.516 15.521 ( 0.000 4.445 0.000) 4.445 15.606 ( 0.000 -1.458 -0.000) 1.458 15.657 ( 0.000 0.511 0.000) 0.511 15.695 ( 0.000 0.454 0.000) 0.454 15.733 ( -0.000 0.835 0.000) 0.835 15.811 ( 0.000 -1.195 0.000) 1.195 16.439 ( 0.000 1.873 0.000) 1.873 16.472 ( 0.000 2.015 0.000) 2.015 16.552 ( 0.000 -4.261 0.000) 4.261 16.636 ( 0.000 -4.272 0.000) 4.272 17.502 ( 0.000 0.805 0.000) 0.805 17.561 ( 0.000 -1.093 0.000) 1.093 17.574 ( 0.000 -2.152 -0.000) 2.152 17.576 ( -0.000 -1.631 0.000) 1.631 21.291 ( 0.000 4.138 0.000) 4.138 21.329 ( 0.000 2.407 0.000) 2.407 21.431 ( 0.000 -0.974 0.000) 0.974 21.449 ( 0.000 -2.005 0.000) 2.005 26.827 ( 0.000 1.677 0.000) 1.677 26.860 ( 0.000 -0.026 0.000) 0.026 27.068 ( 0.000 2.113 0.000) 2.113 27.121 ( 0.000 -0.309 0.000) 0.309 28.912 ( 0.000 0.310 -0.000) 0.310 28.923 ( 0.000 -0.276 0.000) 0.276 28.981 ( -0.000 1.304 0.000) 1.304 28.994 ( 0.000 0.657 0.000) 0.657 29.571 ( 0.000 1.097 0.000) 1.097 29.661 ( 0.000 -2.898 0.000) 2.898 29.755 ( 0.000 -0.425 0.000) 0.425 29.768 ( 0.000 -1.197 -0.000) 1.197 30.549 ( 0.000 3.305 0.000) 3.305 30.611 ( 0.000 -0.179 0.000) 0.179 30.817 ( 0.000 0.539 0.000) 0.539 30.843 ( 0.000 0.513 -0.000) 0.513 31.014 ( 0.000 5.825 0.000) 5.825 31.239 ( 0.000 -3.956 0.000) 3.956 31.356 ( 0.000 -0.490 0.000) 0.490 31.391 ( 0.000 1.540 0.000) 1.540 31.856 ( 0.000 13.554 0.000) 13.554 32.137 ( 0.000 17.023 0.000) 17.023 32.531 ( 0.000 -14.518 0.000) 14.518 32.762 ( 0.000 4.744 0.000) 4.744 32.903 ( 0.000 -3.621 0.000) 3.621 33.120 ( 0.000 -24.392 -0.000) 24.392 33.252 ( -0.000 12.323 0.000) 12.323 33.801 ( 0.000 -13.393 0.000) 13.393 ======================= Grid point 33 (19/88) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.000 -9.572 0.000) 9.572 1.167 ( 0.000 9.572 0.000) 9.572 1.345 ( 0.000 -12.036 0.000) 12.036 1.345 ( 0.000 12.036 0.000) 12.036 1.513 ( 0.000 -4.254 0.000) 4.254 1.513 ( 0.000 4.254 0.000) 4.254 1.802 ( 0.000 -1.456 0.000) 1.456 1.802 ( 0.000 1.456 0.000) 1.456 1.880 ( 0.000 -1.247 0.000) 1.247 1.880 ( 0.000 1.247 0.000) 1.247 2.164 ( 0.000 -6.416 0.000) 6.416 2.164 ( 0.000 6.416 0.000) 6.416 2.460 ( 0.000 -1.561 0.000) 1.561 2.460 ( 0.000 1.561 0.000) 1.561 2.547 ( 0.000 -4.329 0.000) 4.329 2.547 ( 0.000 4.329 0.000) 4.329 2.675 ( 0.000 -1.989 0.000) 1.989 2.675 ( 0.000 1.989 0.000) 1.989 3.049 ( 0.000 -9.483 0.000) 9.483 3.049 ( 0.000 9.483 0.000) 9.483 3.448 ( 0.000 -15.571 0.000) 15.571 3.448 ( 0.000 15.571 0.000) 15.571 3.545 ( 0.000 -1.645 0.000) 1.645 3.545 ( 0.000 1.645 0.000) 1.645 3.672 ( 0.000 -6.478 0.000) 6.478 3.672 ( 0.000 6.478 0.000) 6.478 3.902 ( 0.000 -1.710 0.000) 1.710 3.902 ( 0.000 1.710 0.000) 1.710 4.166 ( 0.000 -5.100 0.000) 5.100 4.166 ( 0.000 5.100 0.000) 5.100 4.311 ( 0.000 -0.967 0.000) 0.967 4.311 ( 0.000 0.967 0.000) 0.967 4.728 ( 0.000 -1.420 0.000) 1.420 4.728 ( 0.000 1.420 0.000) 1.420 4.799 ( 0.000 -10.486 0.000) 10.486 4.799 ( 0.000 10.486 0.000) 10.486 4.933 ( 0.000 -0.478 0.000) 0.478 4.933 ( 0.000 0.478 0.000) 0.478 5.355 ( 0.000 -4.275 0.000) 4.275 5.355 ( 0.000 4.275 0.000) 4.275 5.788 ( 0.000 -2.863 0.000) 2.863 5.788 ( 0.000 2.863 0.000) 2.863 6.084 ( 0.000 -8.538 0.000) 8.538 6.084 ( 0.000 8.538 0.000) 8.538 6.336 ( 0.000 -1.602 0.000) 1.602 6.336 ( 0.000 1.602 0.000) 1.602 6.741 ( 0.000 -2.200 0.000) 2.200 6.741 ( 0.000 2.200 0.000) 2.200 7.146 ( 0.000 -14.859 0.000) 14.859 7.146 ( 0.000 14.859 0.000) 14.859 7.522 ( 0.000 -6.892 0.000) 6.892 7.522 ( 0.000 6.892 0.000) 6.892 7.695 ( 0.000 -4.228 0.000) 4.228 7.695 ( 0.000 4.228 0.000) 4.228 8.131 ( 0.000 -4.116 0.000) 4.116 8.131 ( 0.000 4.116 0.000) 4.116 8.269 ( 0.000 -4.873 0.000) 4.873 8.269 ( 0.000 4.873 0.000) 4.873 8.579 ( 0.000 -9.225 0.000) 9.225 8.579 ( 0.000 9.225 0.000) 9.225 9.707 ( 0.000 -4.384 0.000) 4.384 9.707 ( 0.000 4.384 0.000) 4.384 10.021 ( 0.000 -9.352 0.000) 9.352 10.021 ( 0.000 9.352 0.000) 9.352 10.183 ( 0.000 -10.225 0.000) 10.225 10.183 ( 0.000 10.225 0.000) 10.225 10.382 ( 0.000 -3.087 0.000) 3.087 10.382 ( 0.000 3.087 0.000) 3.087 10.540 ( 0.000 -13.574 0.000) 13.574 10.540 ( 0.000 13.574 0.000) 13.574 10.917 ( 0.000 -4.926 0.000) 4.926 10.917 ( 0.000 4.926 0.000) 4.926 12.269 ( 0.000 -1.992 0.000) 1.992 12.269 ( 0.000 1.992 0.000) 1.992 12.328 ( 0.000 -6.546 0.000) 6.546 12.328 ( 0.000 6.546 0.000) 6.546 13.906 ( 0.000 -3.931 0.000) 3.931 13.906 ( 0.000 3.931 0.000) 3.931 14.022 ( 0.000 -1.192 0.000) 1.192 14.022 ( 0.000 1.192 0.000) 1.192 14.491 ( 0.000 -5.479 0.000) 5.479 14.491 ( 0.000 5.479 0.000) 5.479 15.327 ( 0.000 -0.131 0.000) 0.131 15.327 ( 0.000 0.131 0.000) 0.131 15.465 ( 0.000 -1.095 0.000) 1.095 15.465 ( 0.000 1.095 0.000) 1.095 15.667 ( 0.000 -1.784 0.000) 1.784 15.667 ( 0.000 1.784 0.000) 1.784 15.716 ( 0.000 -3.364 0.000) 3.364 15.716 ( 0.000 3.364 0.000) 3.364 15.925 ( 0.000 -2.735 0.000) 2.735 15.925 ( 0.000 2.735 0.000) 2.735 16.214 ( 0.000 -3.857 0.000) 3.857 16.214 ( 0.000 3.857 0.000) 3.857 16.471 ( 0.000 -2.850 0.000) 2.850 16.471 ( 0.000 2.850 0.000) 2.850 17.599 ( 0.000 -5.064 0.000) 5.064 17.599 ( 0.000 5.064 0.000) 5.064 17.815 ( 0.000 -0.124 0.000) 0.124 17.815 ( 0.000 0.124 0.000) 0.124 21.346 ( 0.000 -1.537 0.000) 1.537 21.346 ( 0.000 1.537 0.000) 1.537 21.671 ( 0.000 -3.078 0.000) 3.078 21.671 ( 0.000 3.078 0.000) 3.078 26.892 ( 0.000 -2.159 0.000) 2.159 26.892 ( 0.000 2.159 0.000) 2.159 27.637 ( 0.000 -7.037 0.000) 7.037 27.637 ( 0.000 7.037 0.000) 7.037 28.825 ( 0.000 -0.222 0.000) 0.222 28.825 ( 0.000 0.222 0.000) 0.222 29.239 ( 0.000 -3.030 0.000) 3.030 29.239 ( 0.000 3.030 0.000) 3.030 29.677 ( 0.000 -2.100 0.000) 2.100 29.677 ( 0.000 2.100 0.000) 2.100 30.219 ( 0.000 -2.684 0.000) 2.684 30.219 ( 0.000 2.684 0.000) 2.684 30.430 ( 0.000 -5.555 0.000) 5.555 30.430 ( 0.000 5.555 0.000) 5.555 30.694 ( 0.000 -1.065 0.000) 1.065 30.694 ( 0.000 1.065 0.000) 1.065 31.067 ( 0.000 -5.508 0.000) 5.508 31.067 ( 0.000 5.508 0.000) 5.508 31.384 ( 0.000 -3.705 0.000) 3.705 31.384 ( 0.000 3.705 0.000) 3.705 31.483 ( 0.000 -0.509 0.000) 0.509 31.483 ( 0.000 0.509 0.000) 0.509 31.794 ( 0.000 -7.495 0.000) 7.495 31.794 ( 0.000 7.495 0.000) 7.495 33.057 ( 0.000 -4.540 0.000) 4.540 33.057 ( 0.000 4.540 0.000) 4.540 33.448 ( 0.000 -8.604 0.000) 8.604 33.448 ( 0.000 8.604 0.000) 8.604 ======================= Grid point 35 (20/88) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -0.232 -4.788 -4.944) 6.886 1.137 ( -0.232 4.788 -4.944) 6.886 1.330 ( -2.026 -5.528 4.326) 7.306 1.330 ( -2.026 5.528 4.326) 7.306 1.598 ( 6.418 -7.279 -0.725) 9.731 1.598 ( 6.418 7.279 -0.725) 9.731 1.774 ( 1.145 -5.013 -4.232) 6.660 1.774 ( 1.145 5.013 -4.232) 6.660 1.964 ( 4.531 -5.765 3.794) 8.256 1.964 ( 4.531 5.765 3.794) 8.256 2.160 ( -1.201 -6.489 2.387) 7.018 2.160 ( -1.201 6.489 2.387) 7.018 2.497 ( 2.365 -0.521 -0.633) 2.503 2.497 ( 2.365 0.521 -0.633) 2.503 2.627 ( 8.974 -3.786 2.426) 10.037 2.627 ( 8.974 3.786 2.426) 10.037 2.696 ( 1.557 -3.613 2.686) 4.764 2.696 ( 1.557 3.613 2.686) 4.764 3.118 ( 6.403 -10.130 0.175) 11.985 3.118 ( 6.403 10.130 0.175) 11.985 3.394 ( -1.896 -11.466 -5.793) 12.986 3.394 ( -1.896 11.466 -5.793) 12.986 3.503 ( -1.827 -1.610 -1.350) 2.784 3.503 ( -1.827 1.610 -1.350) 2.784 3.719 ( 2.576 -5.477 4.023) 7.267 3.719 ( 2.576 5.477 4.023) 7.267 3.973 ( 3.959 -3.184 -0.230) 5.085 3.973 ( 3.959 3.184 -0.230) 5.085 4.203 ( 1.737 -6.046 5.790) 8.549 4.203 ( 1.737 6.046 5.790) 8.549 4.318 ( 3.263 -3.751 -4.373) 6.622 4.318 ( 3.263 3.751 -4.373) 6.622 4.714 ( -0.919 -4.318 -0.294) 4.425 4.714 ( -0.919 4.318 -0.294) 4.425 4.803 ( 1.629 -7.127 -3.258) 8.004 4.803 ( 1.629 7.127 -3.258) 8.004 4.955 ( 1.458 -0.330 1.847) 2.376 4.955 ( 1.458 0.330 1.847) 2.376 5.346 ( -1.584 -2.631 0.243) 3.081 5.346 ( -1.584 2.631 0.243) 3.081 5.773 ( -1.935 -2.721 1.508) 3.664 5.773 ( -1.935 2.721 1.508) 3.664 6.055 ( -2.337 -9.991 -0.667) 10.282 6.055 ( -2.337 9.991 -0.667) 10.282 6.328 ( 0.053 -2.493 -2.401) 3.461 6.328 ( 0.053 2.493 -2.401) 3.461 6.726 ( -2.066 -3.879 1.048) 4.518 6.726 ( -2.066 3.879 1.048) 4.518 7.140 ( -1.528 -13.938 1.742) 14.130 7.140 ( -1.528 13.938 1.742) 14.130 7.501 ( -1.796 -7.712 -0.776) 7.957 7.501 ( -1.796 7.712 -0.776) 7.957 7.697 ( 0.133 -2.897 -0.207) 2.907 7.697 ( 0.133 2.897 -0.207) 2.907 8.056 ( -5.606 -2.710 -2.841) 6.845 8.056 ( -5.606 2.710 -2.841) 6.845 8.259 ( -1.038 -3.065 0.770) 3.327 8.259 ( -1.038 3.065 0.770) 3.327 8.620 ( 3.413 -8.642 0.417) 9.301 8.620 ( 3.413 8.642 0.417) 9.301 9.702 ( -1.013 -6.397 0.579) 6.502 9.702 ( -1.013 6.397 0.579) 6.502 10.024 ( -0.722 -4.646 -0.305) 4.712 10.024 ( -0.722 4.646 -0.305) 4.712 10.194 ( 0.983 -4.748 1.625) 5.114 10.194 ( 0.983 4.748 1.625) 5.114 10.397 ( 1.142 -2.977 1.425) 3.493 10.397 ( 1.142 2.977 1.425) 3.493 10.543 ( 0.296 -14.150 0.461) 14.160 10.543 ( 0.296 14.150 0.461) 14.160 10.886 ( -1.354 -5.075 -3.540) 6.334 10.886 ( -1.354 5.075 -3.540) 6.334 12.278 ( 0.126 -4.487 0.491) 4.516 12.278 ( 0.126 4.487 0.491) 4.516 12.341 ( 1.873 -5.362 -0.095) 5.680 12.341 ( 1.873 5.362 -0.095) 5.680 13.891 ( -1.572 -3.027 -0.376) 3.431 13.891 ( -1.572 3.027 -0.376) 3.431 14.000 ( -2.139 -1.259 0.883) 2.634 14.000 ( -2.139 1.259 0.883) 2.634 14.493 ( 0.662 -4.567 -1.134) 4.752 14.493 ( 0.662 4.567 -1.134) 4.752 15.257 ( -4.518 -2.696 -0.870) 5.333 15.257 ( -4.518 2.696 -0.870) 5.333 15.506 ( 1.596 -1.032 0.112) 1.904 15.506 ( 1.596 1.032 0.112) 1.904 15.632 ( -3.774 -4.260 -0.465) 5.710 15.632 ( -3.774 4.260 -0.465) 5.710 15.688 ( -1.808 -3.064 0.109) 3.559 15.688 ( -1.808 3.064 0.109) 3.559 15.902 ( -1.201 -1.009 -0.252) 1.589 15.902 ( -1.201 1.009 -0.252) 1.589 16.282 ( 5.293 -1.326 0.884) 5.528 16.282 ( 5.293 1.326 0.884) 5.528 16.486 ( 1.662 -4.508 -0.508) 4.831 16.486 ( 1.662 4.508 -0.508) 4.831 17.574 ( -2.371 -5.175 0.381) 5.705 17.574 ( -2.371 5.175 0.381) 5.705 17.788 ( -2.270 -0.467 -1.041) 2.541 17.788 ( -2.270 0.467 -1.041) 2.541 21.350 ( -0.039 -2.082 1.165) 2.386 21.350 ( -0.039 2.082 1.165) 2.386 21.634 ( -3.503 -2.794 -0.417) 4.500 21.634 ( -3.503 2.794 -0.417) 4.500 26.906 ( 0.290 -1.802 2.678) 3.240 26.906 ( 0.290 1.802 2.678) 3.240 27.533 ( -8.701 -4.447 -3.099) 10.251 27.533 ( -8.701 4.447 -3.099) 10.251 28.834 ( 0.607 -0.215 0.704) 0.954 28.834 ( 0.607 0.215 0.704) 0.954 29.193 ( -3.697 -1.760 -1.088) 4.237 29.193 ( -3.697 1.760 -1.088) 4.237 29.667 ( -1.661 -0.403 2.474) 3.007 29.667 ( -1.661 0.403 2.474) 3.007 30.164 ( -5.285 -2.922 -0.175) 6.041 30.164 ( -5.285 2.922 -0.175) 6.041 30.451 ( 1.865 -5.093 -0.240) 5.429 30.451 ( 1.865 5.093 -0.240) 5.429 30.706 ( 1.346 -0.974 -0.113) 1.665 30.706 ( 1.346 0.974 -0.113) 1.665 31.100 ( 3.982 -5.136 -5.090) 8.254 31.100 ( 3.982 5.136 -5.090) 8.254 31.367 ( 0.051 -4.885 1.079) 5.004 31.367 ( 0.051 4.885 1.079) 5.004 31.642 ( 10.660 -5.777 7.471) 14.242 31.642 ( 10.660 5.777 7.471) 14.242 31.880 ( 9.874 -6.640 -3.461) 12.392 31.880 ( 9.874 6.640 -3.461) 12.392 33.048 ( -1.541 -4.848 0.789) 5.148 33.048 ( -1.541 4.848 0.789) 5.148 33.438 ( -0.198 -9.375 -1.105) 9.442 33.438 ( -0.198 9.375 -1.105) 9.442 ======================= Grid point 37 (21/88) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 4.018 -1.786 -4.178) 6.065 1.130 ( 4.018 1.786 -4.178) 6.065 1.345 ( -0.095 -2.808 3.902) 4.809 1.345 ( -0.095 2.808 3.902) 4.809 1.680 ( 3.027 -2.311 -1.359) 4.044 1.680 ( 3.027 2.311 -1.359) 4.044 1.778 ( 1.702 -3.049 -3.333) 4.827 1.778 ( 1.702 3.049 -3.333) 4.827 2.054 ( 0.785 -5.784 3.981) 7.066 2.054 ( 0.785 5.784 3.981) 7.066 2.170 ( 0.805 -2.323 2.873) 3.781 2.170 ( 0.805 2.323 2.873) 3.781 2.540 ( 3.016 -4.601 -0.947) 5.582 2.540 ( 3.016 4.601 -0.947) 5.582 2.762 ( 5.118 -5.147 0.348) 7.267 2.762 ( 5.118 5.147 0.348) 7.267 2.900 ( 13.553 -4.440 3.939) 14.795 2.900 ( 13.553 4.440 3.939) 14.795 3.217 ( 2.283 -12.255 -0.609) 12.481 3.217 ( 2.283 12.255 -0.609) 12.481 3.340 ( 1.758 -2.404 -5.440) 6.202 3.340 ( 1.758 2.404 -5.440) 6.202 3.531 ( 5.838 -2.795 2.110) 6.808 3.531 ( 5.838 2.795 2.110) 6.808 3.817 ( 4.930 -3.855 2.354) 6.687 3.817 ( 4.930 3.855 2.354) 6.687 3.970 ( -0.747 -6.151 -4.469) 7.640 3.970 ( -0.747 6.151 -4.469) 7.640 4.292 ( 0.856 -6.938 6.499) 9.545 4.292 ( 0.856 6.938 6.499) 9.545 4.382 ( 7.309 -2.939 -5.852) 9.813 4.382 ( 7.309 2.939 -5.852) 9.813 4.713 ( 2.780 -7.728 -4.278) 9.260 4.713 ( 2.780 7.728 -4.278) 9.260 4.810 ( -0.872 -3.828 4.449) 5.934 4.810 ( -0.872 3.828 4.449) 5.934 5.010 ( 2.933 -1.864 1.259) 3.696 5.010 ( 2.933 1.864 1.259) 3.696 5.279 ( -5.850 -3.507 0.635) 6.851 5.279 ( -5.850 3.507 0.635) 6.851 5.763 ( 0.470 -3.195 0.500) 3.268 5.763 ( 0.470 3.195 0.500) 3.268 6.001 ( -3.011 -5.902 0.127) 6.627 6.001 ( -3.011 5.902 0.127) 6.627 6.298 ( -1.157 -1.914 -3.030) 3.766 6.298 ( -1.157 1.914 -3.030) 3.766 6.683 ( -2.809 -3.986 0.285) 4.885 6.683 ( -2.809 3.986 0.285) 4.885 7.107 ( -3.200 -11.188 0.955) 11.676 7.107 ( -3.200 11.188 0.955) 11.676 7.454 ( -2.073 -6.671 -0.998) 7.056 7.454 ( -2.073 6.671 -0.998) 7.056 7.686 ( -1.887 -0.746 1.104) 2.310 7.686 ( -1.887 0.746 1.104) 2.310 7.922 ( -6.111 -2.331 -1.741) 6.768 7.922 ( -6.111 2.331 -1.741) 6.768 8.262 ( 1.062 -3.058 1.086) 3.415 8.262 ( 1.062 3.058 1.086) 3.415 8.686 ( 3.131 -8.142 -0.403) 8.732 8.686 ( 3.131 8.142 -0.403) 8.732 9.669 ( -2.702 -9.565 -0.047) 9.939 9.669 ( -2.702 9.565 -0.047) 9.939 9.982 ( -2.612 -2.542 -0.485) 3.677 9.982 ( -2.612 2.542 -0.485) 3.677 10.223 ( 1.640 -4.388 -2.912) 5.516 10.223 ( 1.640 4.388 -2.912) 5.516 10.432 ( -0.800 -3.171 4.374) 5.462 10.432 ( -0.800 3.171 4.374) 5.462 10.577 ( 2.422 -13.003 2.233) 13.414 10.577 ( 2.422 13.003 2.233) 13.414 10.840 ( -0.293 -6.773 -2.499) 7.226 10.840 ( -0.293 6.773 -2.499) 7.226 12.272 ( -0.505 -5.111 -0.360) 5.148 12.272 ( -0.505 5.111 -0.360) 5.148 12.394 ( 3.163 -3.790 0.273) 4.944 12.394 ( 3.163 3.790 0.273) 4.944 13.847 ( -2.243 -1.161 -0.677) 2.614 13.847 ( -2.243 1.161 -0.677) 2.614 13.972 ( -1.616 -1.778 1.208) 2.689 13.972 ( -1.616 1.778 1.208) 2.689 14.500 ( 1.546 -2.804 -1.905) 3.726 14.500 ( 1.546 2.804 -1.905) 3.726 15.177 ( -3.808 -3.803 -0.074) 5.382 15.177 ( -3.808 3.803 -0.074) 5.382 15.491 ( -2.956 -1.911 -0.148) 3.523 15.491 ( -2.956 1.911 -0.148) 3.523 15.545 ( -3.232 -5.224 -0.616) 6.173 15.545 ( -3.232 5.224 -0.616) 6.173 15.682 ( 0.401 -0.966 0.562) 1.188 15.682 ( 0.401 0.966 0.562) 1.188 15.885 ( -0.887 -2.458 -0.224) 2.623 15.885 ( -0.887 2.458 -0.224) 2.623 16.382 ( 4.126 -4.183 0.873) 5.940 16.382 ( 4.126 4.183 0.873) 5.940 16.519 ( 2.103 -6.307 -0.873) 6.705 16.519 ( 2.103 6.307 -0.873) 6.705 17.537 ( -1.759 -3.939 0.977) 4.423 17.537 ( -1.759 3.939 0.977) 4.423 17.722 ( -3.742 -0.797 -1.031) 3.962 17.722 ( -3.742 0.797 -1.031) 3.962 21.360 ( -0.138 -3.004 1.570) 3.393 21.360 ( -0.138 3.004 1.570) 3.393 21.550 ( -4.411 -2.810 -0.846) 5.298 21.550 ( -4.411 2.810 -0.846) 5.298 26.938 ( 0.423 -1.032 3.320) 3.502 26.938 ( 0.423 1.032 3.320) 3.502 27.317 ( -10.357 -1.051 -3.377) 10.944 27.317 ( -10.357 1.051 -3.377) 10.944 28.856 ( 0.997 -0.256 0.957) 1.405 28.856 ( 0.997 0.256 0.957) 1.405 29.112 ( -3.637 -0.449 -0.937) 3.783 29.112 ( -3.637 0.449 -0.937) 3.783 29.659 ( -1.381 -0.869 2.555) 3.031 29.659 ( -1.381 0.869 2.555) 3.031 30.037 ( -7.277 -2.595 -1.072) 7.800 30.037 ( -7.277 2.595 -1.072) 7.800 30.488 ( 2.322 -4.561 -0.246) 5.124 30.488 ( 2.322 4.561 -0.246) 5.124 30.739 ( 1.998 -0.212 0.553) 2.084 30.739 ( 1.998 0.212 0.553) 2.084 31.111 ( 2.020 -4.942 -6.016) 8.043 31.111 ( 2.020 4.942 -6.016) 8.043 31.407 ( 1.914 -6.959 2.481) 7.632 31.407 ( 1.914 6.959 2.481) 7.632 31.908 ( 9.817 -7.165 7.248) 14.151 31.908 ( 9.817 7.165 7.248) 14.151 32.077 ( 13.852 -8.700 -4.978) 17.099 32.077 ( 13.852 8.700 -4.978) 17.099 33.005 ( -3.997 -4.292 2.126) 6.238 33.005 ( -3.997 4.292 2.126) 6.238 33.438 ( 1.653 -11.632 -2.089) 11.933 33.438 ( 1.653 11.632 -2.089) 11.933 ======================= Grid point 39 (22/88) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 6.806 -3.886 -2.528) 8.235 1.215 ( 6.806 3.886 -2.528) 8.235 1.370 ( 0.273 -1.715 1.134) 2.074 1.370 ( 0.273 1.715 1.134) 2.074 1.694 ( -0.301 -3.815 0.728) 3.896 1.694 ( -0.301 3.815 0.728) 3.896 1.802 ( 3.165 -5.532 -2.323) 6.784 1.802 ( 3.165 5.532 -2.323) 6.784 2.065 ( -1.442 -5.867 2.643) 6.595 2.065 ( -1.442 5.867 2.643) 6.595 2.211 ( 0.449 -2.331 1.891) 3.035 2.211 ( 0.449 2.331 1.891) 3.035 2.583 ( 2.083 -5.729 -1.459) 6.268 2.583 ( 2.083 5.729 -1.459) 6.268 2.874 ( 6.740 -6.687 -1.218) 9.572 2.874 ( 6.740 6.687 -1.218) 9.572 3.053 ( 1.100 -5.827 -2.717) 6.523 3.053 ( 1.100 5.827 -2.717) 6.523 3.265 ( 2.322 -6.944 -0.586) 7.345 3.265 ( 2.322 6.944 -0.586) 7.345 3.376 ( 5.719 -2.150 1.599) 6.316 3.376 ( 5.719 2.150 1.599) 6.316 3.721 ( 10.386 -6.826 2.494) 12.676 3.721 ( 10.386 6.826 2.494) 12.676 3.852 ( 0.343 -0.352 -4.403) 4.430 3.852 ( 0.343 0.352 -4.403) 4.430 4.021 ( 7.688 -10.450 -0.329) 12.977 4.021 ( 7.688 10.450 -0.329) 12.977 4.327 ( -0.796 -5.255 4.901) 7.230 4.327 ( -0.796 5.255 4.901) 7.230 4.470 ( 6.201 -3.197 -5.438) 8.846 4.470 ( 6.201 3.197 -5.438) 8.846 4.723 ( 2.249 -5.550 -6.161) 8.592 4.723 ( 2.249 5.550 -6.161) 8.592 4.850 ( -1.154 -1.029 8.081) 8.228 4.850 ( -1.154 1.029 8.081) 8.228 5.085 ( 4.299 -2.752 0.365) 5.118 5.085 ( 4.299 2.752 0.365) 5.118 5.165 ( -6.430 -3.842 3.447) 8.245 5.165 ( -6.430 3.842 3.447) 8.245 5.788 ( 1.954 -2.989 -1.252) 3.785 5.788 ( 1.954 2.989 -1.252) 3.785 5.947 ( -2.562 -4.070 -0.130) 4.811 5.947 ( -2.562 4.070 -0.130) 4.811 6.238 ( -2.863 -2.606 -1.857) 4.293 6.238 ( -2.863 2.606 -1.857) 4.293 6.632 ( -2.134 -4.655 -1.327) 5.290 6.632 ( -2.134 4.655 -1.327) 5.290 7.041 ( -3.875 -7.344 0.025) 8.304 7.041 ( -3.875 7.344 0.025) 8.304 7.421 ( -0.954 -6.242 0.159) 6.317 7.421 ( -0.954 6.242 0.159) 6.317 7.652 ( -2.130 -2.007 0.927) 3.070 7.652 ( -2.130 2.007 0.927) 3.070 7.808 ( -5.536 -1.917 0.327) 5.868 7.808 ( -5.536 1.917 0.327) 5.868 8.315 ( 2.948 -3.537 2.011) 5.024 8.315 ( 2.948 3.537 2.011) 5.024 8.718 ( 1.045 -7.731 -1.974) 8.047 8.718 ( 1.045 7.731 -1.974) 8.047 9.612 ( -2.998 -9.792 0.350) 10.247 9.612 ( -2.998 9.792 0.350) 10.247 9.945 ( -0.877 -3.807 -0.146) 3.909 9.945 ( -0.877 3.807 -0.146) 3.909 10.208 ( 0.325 -5.313 -4.999) 7.302 10.208 ( 0.325 5.313 -4.999) 7.302 10.423 ( -2.442 -4.484 2.002) 5.484 10.423 ( -2.442 4.484 2.002) 5.484 10.631 ( 1.067 -10.444 1.415) 10.593 10.631 ( 1.067 10.444 1.415) 10.593 10.860 ( 2.100 -8.749 2.837) 9.434 10.860 ( 2.100 8.749 2.837) 9.434 12.263 ( -0.036 -3.467 -0.212) 3.473 12.263 ( -0.036 3.467 -0.212) 3.473 12.449 ( 2.540 -2.728 -0.317) 3.741 12.449 ( 2.540 2.728 -0.317) 3.741 13.807 ( -1.414 -0.688 -0.636) 1.696 13.807 ( -1.414 0.688 -0.636) 1.696 13.956 ( -0.934 -2.582 0.764) 2.850 13.956 ( -0.934 2.582 0.764) 2.850 14.529 ( 3.132 -1.398 -1.692) 3.824 14.529 ( 3.132 1.398 -1.692) 3.824 15.094 ( -5.461 -3.532 0.270) 6.509 15.094 ( -5.461 3.532 0.270) 6.509 15.440 ( -1.546 -1.029 1.147) 2.183 15.440 ( -1.546 1.029 1.147) 2.183 15.522 ( 0.565 -2.351 0.025) 2.418 15.522 ( 0.565 2.351 0.025) 2.418 15.694 ( 0.591 -0.860 -0.444) 1.134 15.694 ( 0.591 0.860 -0.444) 1.134 15.853 ( -2.320 -3.594 -0.412) 4.297 15.853 ( -2.320 3.594 -0.412) 4.297 16.445 ( 2.205 -4.204 0.317) 4.758 16.445 ( 2.205 4.204 0.317) 4.758 16.542 ( 0.843 -4.587 -0.587) 4.700 16.542 ( 0.843 4.587 -0.587) 4.700 17.527 ( -0.353 -1.608 1.100) 1.980 17.527 ( -0.353 1.608 1.100) 1.980 17.641 ( -3.957 -1.175 -0.684) 4.184 17.641 ( -3.957 1.175 -0.684) 4.184 21.367 ( -0.344 -3.952 1.182) 4.139 21.367 ( -0.344 3.952 1.182) 4.139 21.469 ( -3.218 -3.803 -0.854) 5.055 21.469 ( -3.218 3.803 -0.854) 5.055 26.952 ( -1.002 -0.403 -0.505) 1.192 26.952 ( -1.002 0.403 -0.505) 1.192 27.138 ( -6.282 -0.401 0.646) 6.327 27.138 ( -6.282 0.401 0.646) 6.327 28.884 ( 1.165 -0.312 0.696) 1.392 28.884 ( 1.165 0.312 0.696) 1.392 29.049 ( -2.535 -0.214 -0.468) 2.587 29.049 ( -2.535 0.214 -0.468) 2.587 29.649 ( -1.279 -1.394 0.866) 2.080 29.649 ( -1.279 1.394 0.866) 2.080 29.892 ( -6.851 -1.108 -0.919) 7.000 29.892 ( -6.851 1.108 -0.919) 7.000 30.534 ( 2.660 -4.467 -0.074) 5.200 30.534 ( 2.660 4.467 -0.074) 5.200 30.785 ( 1.824 -2.477 1.631) 3.482 30.785 ( 1.824 2.477 1.631) 3.482 31.100 ( 1.647 -5.828 -4.639) 7.629 31.100 ( 1.647 5.828 -4.639) 7.629 31.442 ( -0.726 -7.698 2.247) 8.052 31.442 ( -0.726 7.698 2.247) 8.052 32.089 ( 6.500 -8.267 0.120) 10.516 32.089 ( 6.500 8.267 0.120) 10.516 32.301 ( 11.804 -17.179 -0.967) 20.866 32.301 ( 11.804 17.179 -0.967) 20.866 32.946 ( -4.450 -3.694 3.546) 6.784 32.946 ( -4.450 3.694 3.546) 6.784 33.465 ( 2.815 -13.562 -2.177) 14.021 33.465 ( 2.815 13.562 -2.177) 14.021 ======================= Grid point 41 (23/88) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 2.439 -2.369 -0.595) 3.452 1.299 ( 2.439 2.369 -0.595) 3.452 1.379 ( 1.270 -1.790 -1.287) 2.544 1.379 ( 1.270 1.790 -1.287) 2.544 1.715 ( 1.243 -3.000 2.235) 3.942 1.715 ( 1.243 3.000 2.235) 3.942 1.840 ( 2.196 -4.568 -1.935) 5.426 1.840 ( 2.196 4.568 -1.935) 5.426 2.053 ( -1.347 -2.720 1.700) 3.479 2.053 ( -1.347 2.720 1.700) 3.479 2.205 ( -1.737 -5.963 0.245) 6.216 2.205 ( -1.737 5.963 0.245) 6.216 2.599 ( 2.031 -4.850 -2.807) 5.961 2.599 ( 2.031 4.850 -2.807) 5.961 2.927 ( -0.856 -3.669 -4.461) 5.839 2.927 ( -0.856 3.669 -4.461) 5.839 3.063 ( 3.867 -6.664 1.574) 7.864 3.063 ( 3.867 6.664 1.574) 7.864 3.257 ( -1.890 -7.805 0.761) 8.067 3.257 ( -1.890 7.805 0.761) 8.067 3.520 ( 6.048 -3.609 0.351) 7.052 3.520 ( 6.048 3.609 0.351) 7.052 3.816 ( 0.367 -0.860 -1.923) 2.138 3.816 ( 0.367 0.860 -1.923) 2.138 3.936 ( 8.196 -5.241 0.598) 9.747 3.936 ( 8.197 5.241 0.598) 9.747 4.134 ( 3.304 -6.269 1.348) 7.213 4.134 ( 3.304 6.269 1.348) 7.213 4.368 ( 1.894 -1.527 2.759) 3.679 4.368 ( 1.894 1.527 2.759) 3.679 4.523 ( 3.108 -3.617 -3.923) 6.175 4.523 ( 3.108 3.617 -3.923) 6.175 4.709 ( 0.707 -4.677 -4.774) 6.720 4.709 ( 0.707 4.677 -4.774) 6.720 4.838 ( -3.823 -6.433 2.972) 8.051 4.838 ( -3.823 6.433 2.972) 8.051 5.089 ( -1.710 -1.438 0.962) 2.433 5.089 ( -1.710 1.438 0.962) 2.433 5.215 ( 4.334 -0.797 5.536) 7.076 5.215 ( 4.334 0.797 5.536) 7.076 5.802 ( 0.698 -2.482 -1.877) 3.189 5.802 ( 0.698 2.482 -1.877) 3.189 5.910 ( -0.953 -8.843 -0.484) 8.907 5.910 ( -0.953 8.843 -0.484) 8.907 6.181 ( -1.979 -2.962 -0.385) 3.583 6.181 ( -1.979 2.963 -0.385) 3.583 6.584 ( -1.600 -4.630 -1.683) 5.179 6.584 ( -1.600 4.630 -1.683) 5.179 6.977 ( -2.584 -4.054 -0.124) 4.809 6.977 ( -2.584 4.054 -0.124) 4.809 7.418 ( 0.273 -8.797 0.288) 8.806 7.418 ( 0.273 8.797 0.288) 8.806 7.626 ( -1.536 -4.401 0.984) 4.764 7.626 ( -1.536 4.401 0.984) 4.764 7.721 ( -3.680 -5.086 0.652) 6.311 7.721 ( -3.680 5.086 0.652) 6.311 8.387 ( 2.631 -3.447 1.787) 4.690 8.387 ( 2.631 3.447 1.787) 4.690 8.701 ( -0.622 -6.821 -2.179) 7.187 8.701 ( -0.622 6.821 -2.179) 7.187 9.575 ( -1.474 -7.267 1.019) 7.484 9.575 ( -1.474 7.267 1.019) 7.484 9.943 ( 0.399 -4.986 0.107) 5.003 9.943 ( 0.399 4.986 0.107) 5.003 10.171 ( -0.339 -5.058 -3.709) 6.281 10.171 ( -0.339 5.058 -3.709) 6.281 10.387 ( -2.009 -5.633 0.417) 5.995 10.387 ( -2.009 5.633 0.417) 5.995 10.645 ( 0.144 -10.840 0.234) 10.844 10.645 ( 0.144 10.840 0.234) 10.844 10.926 ( 1.608 -8.094 3.293) 8.885 10.926 ( 1.608 8.094 3.293) 8.885 12.268 ( 0.357 -1.909 0.199) 1.952 12.268 ( 0.357 1.909 0.199) 1.952 12.481 ( 1.284 -2.093 -0.581) 2.523 12.481 ( 1.284 2.093 -0.581) 2.523 13.784 ( -0.606 -0.914 -0.401) 1.167 13.784 ( -0.606 0.914 -0.401) 1.167 13.948 ( -0.398 -3.617 0.323) 3.653 13.948 ( -0.398 3.617 0.323) 3.653 14.590 ( 4.032 -0.865 -0.803) 4.202 14.590 ( 4.032 0.865 -0.803) 4.202 14.983 ( -5.773 -2.469 -0.063) 6.279 14.983 ( -5.773 2.469 -0.063) 6.279 15.452 ( 0.941 -1.934 1.826) 2.821 15.452 ( 0.941 1.934 1.826) 2.821 15.551 ( 1.632 -1.403 0.712) 2.267 15.551 ( 1.632 1.403 0.712) 2.267 15.693 ( 0.341 -0.297 -1.874) 1.928 15.693 ( 0.341 0.297 -1.874) 1.928 15.798 ( -2.880 -3.484 -0.036) 4.521 15.798 ( -2.880 3.484 -0.036) 4.521 16.472 ( 0.821 -2.233 -0.434) 2.418 16.472 ( 0.821 2.233 -0.434) 2.418 16.546 ( -0.018 -2.198 0.239) 2.211 16.546 ( -0.018 2.198 0.239) 2.211 17.532 ( 0.152 -0.819 0.120) 0.842 17.532 ( 0.152 0.819 0.120) 0.842 17.574 ( -2.592 -1.132 0.132) 2.831 17.574 ( -2.592 1.132 0.132) 2.831 21.362 ( -0.654 -3.549 0.244) 3.617 21.362 ( -0.654 3.549 0.244) 3.617 21.424 ( -1.178 -3.544 -0.166) 3.738 21.424 ( -1.178 3.544 -0.166) 3.738 26.891 ( -2.535 -0.661 -2.925) 3.927 26.891 ( -2.535 0.661 -2.925) 3.927 27.098 ( -1.041 -0.891 3.054) 3.347 27.098 ( -1.041 0.891 3.054) 3.347 28.908 ( 0.934 -0.326 0.205) 1.010 28.908 ( 0.934 0.326 0.205) 1.010 29.010 ( -1.364 -0.345 0.013) 1.407 29.010 ( -1.364 0.345 0.013) 1.407 29.624 ( -1.151 -2.281 -0.953) 2.727 29.624 ( -1.151 2.281 -0.953) 2.727 29.786 ( -3.905 -0.626 0.399) 3.975 29.786 ( -3.905 0.626 0.399) 3.975 30.579 ( 1.870 -3.557 -0.001) 4.018 30.579 ( 1.870 3.557 -0.001) 4.018 30.824 ( 0.793 -3.517 1.391) 3.864 30.824 ( 0.793 3.517 1.391) 3.864 31.112 ( 2.392 -6.207 -1.969) 6.938 31.112 ( 2.392 6.207 -1.969) 6.938 31.411 ( -3.145 -5.141 0.468) 6.045 31.411 ( -3.145 5.141 0.468) 6.045 32.171 ( 3.404 -15.394 -1.797) 15.868 32.171 ( 3.404 15.394 -1.797) 15.868 32.486 ( 7.559 -21.806 0.546) 23.085 32.486 ( 7.559 21.806 0.546) 23.085 32.892 ( -3.735 -3.801 2.535) 5.901 32.892 ( -3.735 3.801 2.535) 5.901 33.502 ( 2.162 -14.075 -1.100) 14.282 33.502 ( 2.162 14.075 -1.100) 14.282 ======================= Grid point 43 (24/88) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 -0.401 0.000) 0.401 1.311 ( 0.000 0.401 0.000) 0.401 1.390 ( 0.000 -2.161 0.000) 2.161 1.390 ( 0.000 2.161 0.000) 2.161 1.745 ( 0.000 -1.564 0.000) 1.564 1.745 ( 0.000 1.564 0.000) 1.564 1.849 ( 0.000 -3.160 0.000) 3.160 1.849 ( 0.000 3.160 -0.000) 3.160 2.049 ( 0.000 -4.429 0.000) 4.429 2.049 ( 0.000 4.429 0.000) 4.429 2.179 ( 0.000 -10.048 0.000) 10.048 2.179 ( 0.000 10.048 0.000) 10.048 2.614 ( 0.000 -5.511 0.000) 5.511 2.614 ( 0.000 5.511 0.000) 5.511 2.880 ( 0.000 -6.209 0.000) 6.209 2.880 ( 0.000 6.209 0.000) 6.209 3.133 ( 0.000 -9.760 -0.000) 9.760 3.133 ( 0.000 9.760 0.000) 9.760 3.229 ( 0.000 -5.339 0.000) 5.339 3.229 ( 0.000 5.339 0.000) 5.339 3.580 ( 0.000 -3.936 0.000) 3.936 3.580 ( 0.000 3.936 0.000) 3.936 3.810 ( 0.000 -0.318 0.000) 0.318 3.810 ( 0.000 0.318 0.000) 0.318 4.019 ( 0.000 -1.682 0.000) 1.682 4.019 ( 0.000 1.682 0.000) 1.682 4.176 ( -0.000 -5.453 -0.000) 5.453 4.176 ( 0.000 5.453 -0.000) 5.453 4.404 ( 0.000 -3.229 0.000) 3.229 4.404 ( 0.000 3.229 -0.000) 3.229 4.528 ( 0.000 -5.204 0.000) 5.204 4.528 ( 0.000 5.204 -0.000) 5.204 4.692 ( -0.000 -0.151 0.000) 0.151 4.692 ( 0.000 0.151 0.000) 0.151 4.811 ( 0.000 -6.884 0.000) 6.884 4.811 ( 0.000 6.884 0.000) 6.884 5.078 ( 0.000 -1.653 -0.000) 1.653 5.078 ( 0.000 1.653 0.000) 1.653 5.290 ( 0.000 -1.236 -0.000) 1.236 5.290 ( 0.000 1.236 0.000) 1.236 5.796 ( 0.000 -2.989 -0.000) 2.989 5.796 ( 0.000 2.989 0.000) 2.989 5.902 ( 0.000 -11.043 0.000) 11.043 5.902 ( 0.000 11.043 -0.000) 11.043 6.162 ( 0.000 -2.736 0.000) 2.736 6.162 ( 0.000 2.736 0.000) 2.736 6.559 ( 0.000 -4.158 0.000) 4.158 6.559 ( 0.000 4.158 -0.000) 4.158 6.951 ( 0.000 -2.272 0.000) 2.272 6.951 ( 0.000 2.272 0.000) 2.272 7.425 ( 0.000 -10.580 0.000) 10.580 7.425 ( 0.000 10.580 0.000) 10.580 7.611 ( 0.000 -6.539 0.000) 6.539 7.611 ( -0.000 6.539 0.000) 6.539 7.690 ( 0.000 -8.632 0.000) 8.632 7.690 ( 0.000 8.632 0.000) 8.632 8.422 ( 0.000 -2.888 0.000) 2.888 8.422 ( 0.000 2.888 0.000) 2.888 8.682 ( 0.000 -6.171 0.000) 6.171 8.682 ( 0.000 6.171 0.000) 6.171 9.567 ( 0.000 -5.732 0.000) 5.732 9.567 ( 0.000 5.732 0.000) 5.732 9.949 ( 0.000 -5.540 0.000) 5.540 9.949 ( 0.000 5.540 0.000) 5.540 10.151 ( 0.000 -5.418 -0.000) 5.418 10.151 ( 0.000 5.418 0.000) 5.418 10.367 ( 0.000 -6.120 0.000) 6.120 10.367 ( 0.000 6.120 0.000) 6.120 10.647 ( 0.000 -11.097 0.000) 11.097 10.647 ( 0.000 11.097 0.000) 11.097 10.955 ( 0.000 -7.686 0.000) 7.686 10.955 ( 0.000 7.686 0.000) 7.686 12.273 ( 0.000 -1.532 -0.000) 1.532 12.273 ( 0.000 1.532 0.000) 1.532 12.491 ( 0.000 -1.905 0.000) 1.905 12.491 ( 0.000 1.905 0.000) 1.905 13.777 ( 0.000 -1.023 0.000) 1.023 13.777 ( 0.000 1.023 0.000) 1.023 13.945 ( 0.000 -4.030 0.000) 4.030 13.945 ( 0.000 4.030 0.000) 4.030 14.636 ( 0.000 -0.111 0.000) 0.111 14.636 ( 0.000 0.111 0.000) 0.111 14.917 ( 0.000 -1.577 0.000) 1.577 14.917 ( 0.000 1.577 0.000) 1.577 15.474 ( 0.000 -2.569 0.000) 2.569 15.474 ( 0.000 2.569 0.000) 2.569 15.573 ( 0.000 -1.485 0.000) 1.485 15.573 ( 0.000 1.485 0.000) 1.485 15.686 ( 0.000 -1.568 0.000) 1.568 15.686 ( 0.000 1.568 -0.000) 1.568 15.766 ( -0.000 -2.495 0.000) 2.495 15.766 ( 0.000 2.495 0.000) 2.495 16.476 ( 0.000 -2.868 0.000) 2.868 16.476 ( 0.000 2.868 0.000) 2.868 16.547 ( 0.000 -4.358 0.000) 4.358 16.547 ( 0.000 4.358 0.000) 4.358 17.530 ( 0.000 -1.934 0.000) 1.934 17.530 ( 0.000 1.934 0.000) 1.934 17.553 ( 0.000 -0.419 0.000) 0.419 17.553 ( -0.000 0.419 0.000) 0.419 21.355 ( 0.000 -1.093 0.000) 1.093 21.355 ( 0.000 1.093 0.000) 1.093 21.414 ( 0.000 -0.275 0.000) 0.275 21.414 ( 0.000 0.275 0.000) 0.275 26.853 ( 0.000 -0.820 0.000) 0.820 26.853 ( 0.000 0.820 0.000) 0.820 27.104 ( 0.000 -1.380 0.000) 1.380 27.104 ( 0.000 1.380 0.000) 1.380 28.918 ( 0.000 -0.289 0.000) 0.289 28.918 ( 0.000 0.289 0.000) 0.289 28.998 ( 0.000 -0.321 0.000) 0.321 28.998 ( 0.000 0.321 0.000) 0.321 29.606 ( 0.000 -2.367 0.000) 2.367 29.606 ( 0.000 2.367 0.000) 2.367 29.752 ( 0.000 -0.281 -0.000) 0.281 29.752 ( 0.000 0.281 -0.000) 0.281 30.597 ( 0.000 -1.391 0.000) 1.391 30.597 ( 0.000 1.391 -0.000) 1.391 30.836 ( 0.000 -1.058 0.000) 1.058 30.836 ( 0.000 1.058 -0.000) 1.058 31.137 ( 0.000 -5.894 0.000) 5.894 31.137 ( 0.000 5.894 0.000) 5.894 31.372 ( 0.000 -1.774 0.000) 1.774 31.372 ( 0.000 1.774 0.000) 1.774 32.196 ( 0.000 -18.048 0.000) 18.048 32.196 ( 0.000 18.048 0.000) 18.048 32.567 ( 0.000 -24.676 0.000) 24.676 32.567 ( 0.000 24.676 0.000) 24.676 32.860 ( 0.000 -4.884 0.000) 4.884 32.860 ( 0.000 4.884 0.000) 4.884 33.520 ( 0.000 -14.017 0.000) 14.017 33.520 ( 0.000 14.017 0.000) 14.017 ======================= Grid point 77 (25/88) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -7.707 0.000 24.966) 26.129 0.540 ( -1.400 0.000 26.800) 26.836 0.810 ( 4.565 0.000 38.037) 38.310 1.141 ( 1.729 0.000 -4.746) 5.051 1.366 ( -0.972 0.000 -12.283) 12.322 1.539 ( 1.342 0.000 0.599) 1.470 1.583 ( -1.272 0.000 -1.699) 2.123 1.814 ( 6.729 0.000 -13.091) 14.719 1.932 ( -0.035 0.000 0.676) 0.677 1.982 ( 0.317 0.000 -1.328) 1.365 2.092 ( -0.729 0.000 3.638) 3.711 2.402 ( -0.124 0.000 -6.608) 6.609 2.487 ( -1.603 0.000 2.487) 2.959 2.488 ( -3.392 0.000 4.041) 5.276 2.517 ( 14.880 0.000 1.566) 14.962 2.596 ( -4.177 0.000 -9.585) 10.455 2.978 ( -0.201 0.000 -5.145) 5.149 2.987 ( -11.636 0.000 -5.067) 12.691 3.087 ( -1.005 0.000 5.571) 5.661 3.168 ( 2.025 0.000 12.141) 12.308 3.307 ( -4.268 0.000 -4.206) 5.992 3.453 ( -3.558 0.000 15.182) 15.593 3.483 ( -1.030 0.000 0.848) 1.334 3.620 ( -0.891 0.000 -0.588) 1.067 3.628 ( 13.192 0.000 0.770) 13.214 3.701 ( 2.782 0.000 -2.289) 3.603 3.896 ( 1.023 0.000 -9.455) 9.510 4.010 ( -2.083 0.000 -6.938) 7.244 4.098 ( -2.435 0.000 -0.146) 2.439 4.108 ( 3.453 0.000 -5.495) 6.490 4.260 ( -0.963 0.000 6.970) 7.037 4.334 ( 4.577 0.000 0.035) 4.577 4.437 ( -3.630 0.000 2.615) 4.474 4.447 ( -2.097 0.000 -0.744) 2.225 4.773 ( -8.958 0.000 5.355) 10.437 4.930 ( 2.996 0.000 -5.098) 5.913 4.935 ( 10.257 0.000 -1.596) 10.381 5.044 ( 0.690 0.000 -9.378) 9.404 5.310 ( 3.717 0.000 -2.765) 4.633 5.330 ( 1.377 0.000 -2.017) 2.442 5.540 ( -5.745 0.000 3.900) 6.944 5.691 ( -0.789 0.000 1.134) 1.381 5.911 ( -3.567 0.000 15.086) 15.502 6.004 ( -4.077 0.000 1.199) 4.250 6.360 ( 9.883 0.000 -0.014) 9.883 6.504 ( 2.634 0.000 -3.441) 4.334 6.590 ( -1.876 0.000 -1.400) 2.341 6.810 ( -1.020 0.000 -9.113) 9.170 7.015 ( 6.027 0.000 9.077) 10.896 7.295 ( -1.221 0.000 -1.410) 1.865 7.459 ( -20.910 0.000 3.920) 21.274 7.602 ( -2.959 0.000 8.126) 8.648 7.646 ( 3.769 0.000 -4.962) 6.231 7.922 ( -3.885 0.000 -0.880) 3.983 8.033 ( 22.539 0.000 3.317) 22.782 8.106 ( -2.591 0.000 -0.564) 2.652 8.221 ( 1.563 0.000 -2.045) 2.574 8.401 ( 0.204 0.000 -6.535) 6.538 8.841 ( 1.116 0.000 -1.844) 2.155 8.897 ( -0.446 0.000 -3.435) 3.464 9.281 ( -2.605 0.000 3.254) 4.169 9.405 ( -1.247 0.000 -1.362) 1.847 9.822 ( -1.181 0.000 0.789) 1.420 9.961 ( 5.852 0.000 -5.338) 7.921 10.086 ( 2.135 0.000 7.232) 7.540 10.242 ( 0.959 0.000 0.301) 1.006 10.429 ( 7.075 0.000 -1.048) 7.152 10.475 ( -0.305 0.000 -0.296) 0.425 10.530 ( -13.469 0.000 1.604) 13.565 10.591 ( -1.433 0.000 1.011) 1.754 11.105 ( -0.652 0.000 -0.892) 1.105 11.128 ( 2.859 0.000 -1.765) 3.360 11.929 ( -2.269 0.000 2.530) 3.398 12.104 ( 3.516 0.000 -5.632) 6.639 12.465 ( 1.271 0.000 3.347) 3.580 12.528 ( -0.403 0.000 -0.145) 0.428 13.944 ( -0.192 0.000 0.900) 0.921 13.986 ( -0.115 0.000 -0.821) 0.829 14.026 ( 0.423 0.000 0.337) 0.540 14.032 ( -0.126 0.000 0.192) 0.229 14.769 ( -0.014 0.000 3.052) 3.052 14.957 ( -1.393 0.000 -6.049) 6.207 15.152 ( -0.124 0.000 0.346) 0.368 15.172 ( 0.926 0.000 2.294) 2.474 15.392 ( -0.238 0.000 1.371) 1.392 15.403 ( 1.821 0.000 2.574) 3.153 15.502 ( -2.378 0.000 -1.787) 2.975 15.509 ( -1.382 0.000 -1.988) 2.421 15.596 ( -1.249 0.000 3.044) 3.290 15.698 ( 1.514 0.000 -0.478) 1.588 15.982 ( 5.737 0.000 -1.916) 6.049 15.993 ( -32.043 0.000 -2.677) 32.155 16.204 ( 24.804 0.000 2.225) 24.903 16.355 ( -11.882 0.000 -4.050) 12.553 16.477 ( 7.770 0.000 2.076) 8.042 16.510 ( -2.230 0.000 0.669) 2.328 17.463 ( -2.125 0.000 3.091) 3.751 17.669 ( 2.759 0.000 -6.241) 6.824 17.874 ( -1.505 0.000 2.447) 2.873 17.875 ( -4.328 0.000 1.355) 4.535 21.098 ( -0.937 0.000 0.895) 1.295 21.144 ( 3.051 0.000 -0.970) 3.201 21.651 ( 1.292 0.000 1.107) 1.701 21.703 ( -1.094 0.000 -1.016) 1.493 27.015 ( 1.577 0.000 3.110) 3.487 27.190 ( -2.424 0.000 -4.552) 5.157 27.356 ( 0.346 0.000 2.440) 2.465 27.418 ( 3.151 0.000 -0.673) 3.222 28.875 ( -0.181 0.000 1.096) 1.110 28.929 ( 1.033 0.000 -0.926) 1.387 29.051 ( -1.588 0.000 -0.047) 1.589 29.086 ( -3.388 0.000 -1.322) 3.637 29.602 ( 1.149 0.000 3.335) 3.528 29.809 ( -2.161 0.000 -5.624) 6.025 30.148 ( -1.667 0.000 4.038) 4.369 30.168 ( 0.389 0.000 2.781) 2.808 30.308 ( 1.131 0.000 -1.116) 1.589 30.367 ( 1.137 0.000 -3.988) 4.147 30.817 ( 4.418 0.000 1.322) 4.611 30.861 ( 1.281 0.000 -1.522) 1.989 30.913 ( -8.386 0.000 1.621) 8.541 30.946 ( 23.025 0.000 1.360) 23.065 31.343 ( -13.565 0.000 1.074) 13.608 31.397 ( 1.705 0.000 -1.174) 2.070 31.488 ( -0.548 0.000 2.979) 3.029 31.658 ( 0.409 0.000 -3.401) 3.426 32.394 ( 0.087 0.000 0.311) 0.323 32.432 ( 0.091 0.000 -1.373) 1.376 32.876 ( -0.206 0.000 2.552) 2.561 32.991 ( -1.160 0.000 -2.187) 2.476 33.314 ( -3.172 0.000 0.683) 3.245 33.343 ( 0.902 0.000 -0.477) 1.020 ======================= Grid point 78 (26/88) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 6.796 0.000 14.132) 15.681 0.914 ( 14.130 0.000 17.631) 22.594 1.169 ( 4.349 0.000 0.632) 4.395 1.303 ( 1.550 0.000 -10.978) 11.087 1.322 ( 20.889 0.000 16.433) 26.579 1.561 ( 0.470 0.000 -2.816) 2.855 1.566 ( 0.832 0.000 0.638) 1.048 1.806 ( 6.385 0.000 -13.529) 14.960 1.968 ( 3.305 0.000 1.016) 3.458 1.999 ( 3.123 0.000 -1.680) 3.546 2.122 ( 0.027 0.000 6.124) 6.125 2.336 ( 0.067 0.000 -10.025) 10.026 2.428 ( -5.839 0.000 5.048) 7.718 2.460 ( -2.655 0.000 0.120) 2.658 2.590 ( 9.748 0.000 1.882) 9.928 2.740 ( 5.047 0.000 2.968) 5.855 2.852 ( 3.740 0.000 -4.163) 5.596 2.909 ( -2.695 0.000 -7.561) 8.027 3.219 ( 0.780 0.000 -4.250) 4.321 3.222 ( 7.308 0.000 6.686) 9.905 3.308 ( 1.212 0.000 12.799) 12.856 3.485 ( 1.808 0.000 -4.917) 5.239 3.511 ( -2.460 0.000 14.185) 14.397 3.604 ( -1.916 0.000 0.843) 2.093 3.662 ( 0.584 0.000 -2.879) 2.938 3.779 ( -3.188 0.000 -13.491) 13.863 3.932 ( 14.536 0.000 -5.538) 15.555 3.932 ( 0.193 0.000 -7.306) 7.309 4.020 ( -4.585 0.000 1.126) 4.721 4.114 ( 1.641 0.000 -3.856) 4.191 4.354 ( -3.555 0.000 4.024) 5.369 4.374 ( 6.631 0.000 4.838) 8.208 4.502 ( 6.609 0.000 -3.261) 7.369 4.504 ( 5.453 0.000 2.663) 6.069 4.712 ( 1.786 0.000 2.466) 3.045 4.952 ( 4.130 0.000 -3.873) 5.662 4.987 ( 0.403 0.000 -8.675) 8.684 5.047 ( -1.986 0.000 3.465) 3.994 5.368 ( 6.219 0.000 -1.700) 6.447 5.390 ( 5.475 0.000 -3.423) 6.457 5.476 ( -3.473 0.000 8.097) 8.810 5.691 ( 0.036 0.000 -3.356) 3.356 5.924 ( -5.876 0.000 11.331) 12.764 5.969 ( 1.115 0.000 -3.550) 3.721 6.388 ( -7.748 0.000 6.068) 9.842 6.454 ( -1.835 0.000 -7.278) 7.506 6.652 ( 8.403 0.000 -4.171) 9.382 6.665 ( -7.824 0.000 -1.213) 7.918 7.054 ( -5.968 0.000 7.634) 9.690 7.182 ( -12.175 0.000 8.929) 15.098 7.208 ( -5.990 0.000 -3.431) 6.903 7.510 ( -10.469 0.000 -2.381) 10.736 7.718 ( 2.463 0.000 11.599) 11.857 7.881 ( -0.212 0.000 -5.095) 5.099 8.027 ( -3.278 0.000 -2.475) 4.108 8.214 ( 0.269 0.000 -5.435) 5.441 8.281 ( 3.743 0.000 0.758) 3.819 8.382 ( 1.503 0.000 -6.439) 6.612 8.868 ( 2.137 0.000 0.006) 2.137 8.871 ( 0.340 0.000 -3.290) 3.308 9.274 ( -0.420 0.000 2.770) 2.802 9.365 ( -1.626 0.000 -0.907) 1.862 9.817 ( -0.291 0.000 0.292) 0.412 10.002 ( 3.139 0.000 -3.945) 5.042 10.168 ( 0.712 0.000 5.491) 5.537 10.233 ( -9.232 0.000 4.621) 10.324 10.380 ( 3.963 0.000 -5.622) 6.878 10.460 ( -0.487 0.000 -3.881) 3.912 10.520 ( 2.606 0.000 -4.939) 5.585 10.648 ( 4.696 0.000 9.817) 10.882 11.099 ( 0.913 0.000 -1.785) 2.005 11.168 ( 2.026 0.000 0.409) 2.067 11.946 ( 2.421 0.000 1.910) 3.084 12.145 ( 4.941 0.000 -5.508) 7.399 12.505 ( -1.537 0.000 -0.725) 1.700 12.511 ( 0.900 0.000 1.754) 1.971 13.913 ( -3.362 0.000 1.196) 3.569 13.954 ( -1.794 0.000 -1.511) 2.346 14.026 ( -0.870 0.000 0.404) 0.959 14.052 ( 1.585 0.000 0.310) 1.615 14.746 ( -4.621 0.000 2.906) 5.459 14.784 ( -10.720 0.000 4.577) 11.656 15.076 ( -8.304 0.000 3.705) 9.093 15.140 ( -1.809 0.000 0.208) 1.821 15.417 ( -2.001 0.000 1.931) 2.781 15.433 ( 1.977 0.000 4.295) 4.728 15.485 ( 0.673 0.000 -2.889) 2.966 15.501 ( 2.464 0.000 1.140) 2.715 15.606 ( 0.997 0.000 0.219) 1.021 15.613 ( -6.182 0.000 1.328) 6.323 15.760 ( 0.136 0.000 -0.185) 0.229 15.913 ( -10.856 0.000 -4.924) 11.921 16.275 ( 5.916 0.000 2.867) 6.574 16.339 ( -4.555 0.000 -1.784) 4.892 16.625 ( 6.280 0.000 -0.034) 6.280 16.669 ( 12.173 0.000 -2.615) 12.450 17.475 ( 1.594 0.000 1.748) 2.365 17.654 ( 0.306 0.000 -5.936) 5.943 17.833 ( -3.400 0.000 3.685) 5.014 17.844 ( -3.471 0.000 2.394) 4.216 21.092 ( -0.078 0.000 0.204) 0.219 21.144 ( -0.700 0.000 0.639) 0.948 21.651 ( -2.545 0.000 -2.352) 3.465 21.663 ( -1.196 0.000 1.670) 2.054 27.064 ( 0.156 0.000 4.733) 4.736 27.085 ( -4.484 0.000 -4.862) 6.614 27.248 ( -11.705 0.000 8.113) 14.242 27.289 ( -8.111 0.000 -1.887) 8.327 28.881 ( 0.078 0.000 0.891) 0.894 28.936 ( 0.425 0.000 -1.126) 1.204 29.015 ( -2.127 0.000 0.080) 2.128 29.029 ( -2.288 0.000 2.658) 3.508 29.634 ( -0.882 0.000 3.282) 3.399 29.640 ( -5.975 0.000 -0.212) 5.979 30.112 ( -3.002 0.000 0.491) 3.042 30.140 ( -4.177 0.000 3.506) 5.454 30.263 ( -3.181 0.000 -0.114) 3.183 30.367 ( 2.850 0.000 -4.390) 5.234 30.773 ( -5.046 0.000 2.474) 5.619 30.818 ( -1.657 0.000 -2.535) 3.028 30.937 ( 5.221 0.000 -1.529) 5.440 31.178 ( 2.136 0.000 0.686) 2.243 31.393 ( 3.315 0.000 1.538) 3.655 31.542 ( 6.686 0.000 3.365) 7.486 31.559 ( 12.022 0.000 -0.582) 12.036 31.659 ( 3.056 0.000 -4.516) 5.453 32.403 ( 0.366 0.000 1.173) 1.229 32.444 ( 2.632 0.000 -1.697) 3.132 32.905 ( 0.267 0.000 4.145) 4.154 33.002 ( 0.824 0.000 -2.964) 3.077 33.365 ( 1.778 0.000 4.380) 4.727 33.581 ( 22.655 0.000 -18.865) 29.481 ======================= Grid point 79 (27/88) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 5.750 0.000 -1.140) 5.862 1.217 ( 8.468 0.000 5.963) 10.357 1.259 ( 3.220 0.000 -5.164) 6.086 1.262 ( 3.791 0.000 2.853) 4.744 1.519 ( -1.051 0.000 -2.471) 2.685 1.553 ( 0.830 0.000 -1.936) 2.107 1.751 ( 11.414 0.000 2.615) 11.710 1.888 ( 4.871 0.000 -2.131) 5.317 2.083 ( 8.261 0.000 0.219) 8.263 2.104 ( 8.302 0.000 -0.227) 8.305 2.179 ( 0.351 0.000 6.895) 6.904 2.275 ( 2.260 0.000 -8.729) 9.016 2.394 ( -3.872 0.000 -0.493) 3.903 2.408 ( -2.690 0.000 5.114) 5.778 2.663 ( 0.456 0.000 -12.825) 12.833 2.782 ( -2.170 0.000 11.556) 11.758 2.940 ( 12.530 0.000 -0.581) 12.544 3.036 ( 12.491 0.000 -0.799) 12.517 3.271 ( 6.352 0.000 -5.380) 8.324 3.379 ( 0.085 0.000 6.948) 6.949 3.411 ( -3.897 0.000 -13.505) 14.056 3.445 ( 9.560 0.000 6.226) 11.409 3.554 ( 1.315 0.000 -2.242) 2.599 3.589 ( 0.502 0.000 10.365) 10.377 3.676 ( 3.679 0.000 -1.838) 4.112 3.682 ( -0.144 0.000 -1.774) 1.780 3.896 ( 1.267 0.000 -6.834) 6.951 3.955 ( -1.622 0.000 -0.542) 1.710 4.120 ( 0.605 0.000 0.273) 0.664 4.175 ( 13.169 0.000 -1.220) 13.226 4.274 ( -4.970 0.000 0.976) 5.065 4.524 ( 5.804 0.000 2.365) 6.267 4.601 ( 7.463 0.000 -5.342) 9.178 4.652 ( 6.364 0.000 4.389) 7.731 4.791 ( 0.304 0.000 -1.473) 1.504 4.951 ( 4.467 0.000 -5.861) 7.370 4.968 ( -7.156 0.000 5.652) 9.119 5.033 ( 6.491 0.000 -1.878) 6.757 5.391 ( -0.136 0.000 -2.108) 2.112 5.471 ( 1.261 0.000 1.828) 2.221 5.597 ( 4.835 0.000 8.705) 9.957 5.647 ( -0.250 0.000 -4.542) 4.549 5.901 ( -3.245 0.000 8.699) 9.285 5.982 ( 4.755 0.000 -7.355) 8.758 6.268 ( -9.222 0.000 6.339) 11.191 6.367 ( 0.416 0.000 -11.150) 11.158 6.523 ( -7.427 0.000 2.418) 7.810 6.705 ( -1.652 0.000 -2.616) 3.094 6.953 ( -10.996 0.000 4.602) 11.920 7.053 ( -6.563 0.000 5.279) 8.423 7.071 ( -2.604 0.000 -4.932) 5.577 7.337 ( -5.695 0.000 -0.318) 5.704 7.805 ( -3.499 0.000 12.017) 12.516 7.813 ( -2.404 0.000 -7.267) 7.654 7.963 ( -3.082 0.000 1.179) 3.300 8.153 ( -1.263 0.000 -5.539) 5.681 8.334 ( -1.226 0.000 -2.635) 2.906 8.339 ( 1.958 0.000 1.283) 2.341 8.846 ( -1.323 0.000 -1.020) 1.670 8.894 ( -0.006 0.000 0.010) 0.011 9.314 ( 2.462 0.000 2.579) 3.565 9.356 ( 1.147 0.000 0.931) 1.477 9.804 ( -0.822 0.000 -1.215) 1.467 10.035 ( 2.753 0.000 -3.281) 4.283 10.083 ( -8.105 0.000 3.997) 9.037 10.199 ( -0.890 0.000 3.910) 4.010 10.397 ( -3.563 0.000 -0.877) 3.669 10.445 ( 6.851 0.000 -9.726) 11.896 10.493 ( 0.079 0.000 -6.695) 6.695 10.826 ( 4.232 0.000 10.223) 11.064 11.118 ( 2.187 0.000 -0.767) 2.318 11.212 ( 1.364 0.000 2.685) 3.011 12.039 ( 5.416 0.000 1.529) 5.628 12.206 ( 4.968 0.000 -3.076) 5.843 12.468 ( -1.761 0.000 -0.012) 1.761 12.518 ( -0.516 0.000 -0.815) 0.965 13.856 ( -3.470 0.000 1.642) 3.839 13.906 ( -1.446 0.000 -2.754) 3.110 14.008 ( -1.528 0.000 1.076) 1.869 14.083 ( 1.700 0.000 -0.178) 1.709 14.671 ( -4.225 0.000 1.112) 4.369 14.677 ( -5.087 0.000 4.616) 6.869 14.959 ( -5.843 0.000 0.828) 5.902 15.076 ( -4.725 0.000 -0.613) 4.764 15.406 ( -1.240 0.000 2.482) 2.774 15.464 ( -0.690 0.000 -1.358) 1.524 15.526 ( 2.537 0.000 3.484) 4.310 15.543 ( 0.626 0.000 1.344) 1.483 15.550 ( -0.724 0.000 -0.067) 0.728 15.631 ( 1.251 0.000 -2.448) 2.749 15.725 ( -2.492 0.000 -3.481) 4.281 15.773 ( 0.749 0.000 0.712) 1.033 16.239 ( -3.173 0.000 -2.488) 4.032 16.425 ( 4.295 0.000 5.371) 6.877 16.712 ( 3.373 0.000 -0.373) 3.394 16.793 ( 3.034 0.000 -0.507) 3.076 17.530 ( 2.854 0.000 0.253) 2.865 17.590 ( -1.915 0.000 -5.607) 5.925 17.785 ( -4.578 0.000 3.386) 5.694 17.787 ( -4.396 0.000 2.184) 4.908 21.103 ( 1.562 0.000 -0.536) 1.651 21.148 ( 0.242 0.000 1.411) 1.432 21.581 ( -2.571 0.000 -3.108) 4.033 21.635 ( -2.938 0.000 1.472) 3.286 26.956 ( -5.321 0.000 -4.285) 6.831 27.076 ( -8.634 0.000 -6.580) 10.856 27.085 ( -1.849 0.000 4.546) 4.908 27.164 ( -4.153 0.000 6.158) 7.428 28.892 ( 0.491 0.000 0.347) 0.601 28.931 ( 0.029 0.000 -1.038) 1.038 28.975 ( -1.939 0.000 -0.304) 1.963 29.018 ( -1.566 0.000 2.893) 3.289 29.571 ( -1.771 0.000 -0.545) 1.853 29.636 ( 0.140 0.000 0.593) 0.609 30.008 ( -5.936 0.000 -5.153) 7.860 30.087 ( -5.386 0.000 4.947) 7.313 30.248 ( 0.686 0.000 2.660) 2.747 30.432 ( 7.483 0.000 -3.425) 8.230 30.740 ( -1.512 0.000 4.215) 4.478 30.774 ( -1.278 0.000 -1.941) 2.324 30.981 ( 1.055 0.000 -2.883) 3.070 31.248 ( 4.003 0.000 0.378) 4.021 31.376 ( -5.580 0.000 6.894) 8.870 31.609 ( -0.606 0.000 -7.049) 7.074 31.707 ( 5.731 0.000 3.723) 6.834 31.770 ( 6.736 0.000 -3.551) 7.614 32.443 ( 2.711 0.000 2.689) 3.818 32.519 ( 7.067 0.000 -2.332) 7.442 32.923 ( -1.670 0.000 4.594) 4.888 32.971 ( -1.149 0.000 -3.581) 3.760 33.524 ( 6.094 0.000 14.831) 16.034 33.773 ( 14.625 0.000 -18.893) 23.892 ======================= Grid point 80 (28/88) ======================= q-point: ( 0.30 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 8.367 0.000 -0.503) 8.383 1.315 ( 0.918 0.000 0.245) 0.950 1.333 ( 4.890 0.000 -1.664) 5.165 1.358 ( 2.838 0.000 2.600) 3.849 1.530 ( 2.574 0.000 1.137) 2.814 1.564 ( 3.103 0.000 -2.864) 4.223 1.858 ( 1.857 0.000 -0.018) 1.857 1.916 ( -0.526 0.000 -0.187) 0.558 2.106 ( -5.151 0.000 -3.666) 6.323 2.187 ( 5.419 0.000 -6.891) 8.766 2.250 ( 0.611 0.000 1.235) 1.378 2.287 ( -1.574 0.000 -1.849) 2.428 2.354 ( 0.051 0.000 4.558) 4.558 2.395 ( 3.613 0.000 -2.080) 4.169 2.644 ( 2.726 0.000 -2.604) 3.770 2.878 ( 0.197 0.000 14.811) 14.812 3.102 ( 1.619 0.000 -2.493) 2.972 3.204 ( 4.163 0.000 3.453) 5.409 3.239 ( -2.272 0.000 -10.602) 10.843 3.376 ( 14.030 0.000 -6.457) 15.445 3.396 ( -3.023 0.000 5.881) 6.613 3.657 ( 2.401 0.000 3.099) 3.920 3.666 ( 8.428 0.000 1.704) 8.598 3.682 ( 7.427 0.000 1.409) 7.560 3.711 ( 3.028 0.000 1.381) 3.328 3.810 ( 12.508 0.000 -1.447) 12.591 3.857 ( -0.404 0.000 -4.942) 4.959 3.939 ( 0.152 0.000 -0.285) 0.323 4.133 ( -0.096 0.000 0.902) 0.908 4.250 ( 2.439 0.000 0.520) 2.494 4.372 ( 6.790 0.000 0.721) 6.828 4.620 ( 3.165 0.000 -0.032) 3.165 4.671 ( 1.509 0.000 -4.935) 5.160 4.728 ( 2.717 0.000 -7.334) 7.821 4.763 ( 2.680 0.000 0.904) 2.829 4.929 ( -1.464 0.000 4.995) 5.205 5.037 ( 4.955 0.000 -0.640) 4.997 5.151 ( 6.692 0.000 -0.862) 6.747 5.374 ( 0.877 0.000 -4.908) 4.986 5.428 ( -5.858 0.000 4.482) 7.375 5.632 ( 0.414 0.000 -0.919) 1.008 5.701 ( -0.895 0.000 8.721) 8.767 5.951 ( -0.203 0.000 7.937) 7.940 6.039 ( 8.190 0.000 -10.047) 12.963 6.156 ( -7.103 0.000 5.978) 9.284 6.297 ( 1.356 0.000 -9.866) 9.959 6.434 ( -3.281 0.000 -0.109) 3.283 6.588 ( -7.546 0.000 1.342) 7.664 6.741 ( -12.070 0.000 2.233) 12.274 7.012 ( -3.688 0.000 6.299) 7.299 7.044 ( 2.054 0.000 -5.729) 6.086 7.300 ( 1.224 0.000 1.721) 2.112 7.677 ( -5.403 0.000 -8.184) 9.806 7.790 ( -6.109 0.000 8.982) 10.862 7.907 ( -4.453 0.000 1.804) 4.804 8.059 ( -4.920 0.000 -3.611) 6.103 8.336 ( 2.983 0.000 -1.990) 3.586 8.395 ( 2.922 0.000 1.506) 3.287 8.810 ( -2.590 0.000 1.438) 2.962 8.864 ( -2.009 0.000 -1.843) 2.727 9.395 ( 3.414 0.000 3.246) 4.711 9.419 ( 3.323 0.000 3.382) 4.741 9.769 ( -1.323 0.000 -2.335) 2.684 9.951 ( -5.496 0.000 -0.953) 5.578 10.092 ( 2.416 0.000 0.688) 2.512 10.206 ( -1.335 0.000 3.640) 3.877 10.320 ( -4.003 0.000 0.857) 4.094 10.439 ( 0.526 0.000 -7.509) 7.528 10.491 ( 5.469 0.000 -8.024) 9.711 10.934 ( 0.415 0.000 6.004) 6.019 11.162 ( 2.416 0.000 0.134) 2.420 11.256 ( 0.894 0.000 2.599) 2.749 12.145 ( 4.730 0.000 -0.195) 4.734 12.281 ( 4.439 0.000 -0.741) 4.501 12.448 ( -1.426 0.000 2.642) 3.002 12.484 ( -1.238 0.000 -3.181) 3.413 13.813 ( -2.645 0.000 1.883) 3.247 13.863 ( -0.495 0.000 -3.326) 3.363 13.989 ( -1.588 0.000 1.940) 2.506 14.115 ( 1.881 0.000 -0.521) 1.952 14.621 ( -1.382 0.000 -0.350) 1.426 14.641 ( -1.935 0.000 2.049) 2.818 14.875 ( -3.310 0.000 -0.126) 3.313 14.971 ( -5.384 0.000 -0.699) 5.429 15.395 ( -1.865 0.000 1.937) 2.689 15.422 ( -3.269 0.000 0.628) 3.328 15.530 ( 1.936 0.000 -3.557) 4.050 15.558 ( 1.114 0.000 0.335) 1.163 15.626 ( 1.119 0.000 -1.349) 1.753 15.629 ( 2.534 0.000 5.189) 5.774 15.736 ( 2.409 0.000 -1.460) 2.817 15.789 ( -0.316 0.000 1.410) 1.445 16.208 ( 2.037 0.000 -1.826) 2.735 16.490 ( 0.531 0.000 0.809) 0.967 16.753 ( 0.820 0.000 0.658) 1.051 16.795 ( -2.196 0.000 0.084) 2.197 17.519 ( -1.386 0.000 -3.491) 3.757 17.577 ( 2.093 0.000 -0.192) 2.102 17.716 ( -4.348 0.000 1.129) 4.492 17.717 ( -4.821 0.000 2.190) 5.295 21.145 ( 3.335 0.000 -0.731) 3.414 21.170 ( 0.627 0.000 1.609) 1.727 21.515 ( -1.816 0.000 -2.808) 3.344 21.580 ( -4.024 0.000 1.304) 4.230 26.833 ( -3.782 0.000 -3.024) 4.842 26.921 ( -3.774 0.000 -3.762) 5.329 27.069 ( -2.602 0.000 2.528) 3.628 27.149 ( -1.757 0.000 2.670) 3.196 28.904 ( 0.736 0.000 -0.177) 0.757 28.924 ( -0.214 0.000 -0.320) 0.385 28.944 ( -0.772 0.000 -0.924) 1.204 29.008 ( -1.756 0.000 2.372) 2.951 29.552 ( -0.128 0.000 -0.009) 0.128 29.654 ( 1.746 0.000 -0.893) 1.961 29.853 ( -5.571 0.000 -4.374) 7.083 30.010 ( -6.416 0.000 4.176) 7.655 30.308 ( 3.247 0.000 2.309) 3.984 30.578 ( 9.631 0.000 -2.306) 9.903 30.736 ( -1.894 0.000 -0.547) 1.972 30.770 ( 0.465 0.000 4.918) 4.940 30.947 ( -1.292 0.000 -2.656) 2.954 31.246 ( -3.735 0.000 -1.967) 4.221 31.385 ( -0.026 0.000 9.482) 9.482 31.494 ( -5.117 0.000 -7.704) 9.249 31.793 ( 0.736 0.000 2.983) 3.073 31.794 ( 0.242 0.000 -4.214) 4.221 32.546 ( 5.020 0.000 3.613) 6.185 32.644 ( 8.711 0.000 -6.584) 10.919 32.915 ( -1.375 0.000 -3.689) 3.937 32.948 ( 0.159 0.000 6.847) 6.848 33.737 ( 2.564 0.000 15.443) 15.654 33.877 ( 10.884 0.000 -14.803) 18.374 ======================= Grid point 81 (29/88) ======================= q-point: ( 0.40 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 7.684 0.000 4.090) 8.704 1.311 ( -0.211 0.000 -0.753) 0.782 1.373 ( -0.670 0.000 0.365) 0.762 1.392 ( 0.572 0.000 -0.340) 0.665 1.599 ( 2.837 0.000 1.092) 3.040 1.617 ( 3.392 0.000 -1.360) 3.655 1.878 ( 0.284 0.000 0.826) 0.873 1.881 ( -0.103 0.000 -2.306) 2.308 2.023 ( -1.181 0.000 -0.105) 1.186 2.176 ( -5.076 0.000 -0.102) 5.077 2.223 ( -0.749 0.000 -2.389) 2.503 2.254 ( 5.760 0.000 -6.053) 8.356 2.441 ( 2.423 0.000 8.851) 9.176 2.484 ( 8.041 0.000 -7.268) 10.839 2.609 ( -5.754 0.000 0.082) 5.755 2.942 ( -4.380 0.000 8.514) 9.575 3.103 ( 1.626 0.000 1.175) 2.006 3.176 ( 1.179 0.000 -1.355) 1.797 3.268 ( -3.914 0.000 9.896) 10.642 3.360 ( -2.583 0.000 1.621) 3.049 3.600 ( 9.041 0.000 -2.598) 9.406 3.668 ( -1.055 0.000 0.962) 1.428 3.743 ( -2.982 0.000 3.150) 4.338 3.805 ( 5.536 0.000 -2.004) 5.887 3.811 ( 4.972 0.000 2.977) 5.795 3.899 ( 8.680 0.000 -3.007) 9.186 3.948 ( 3.380 0.000 -2.619) 4.276 4.020 ( 7.684 0.000 -2.935) 8.225 4.143 ( 1.812 0.000 -1.137) 2.139 4.335 ( 4.670 0.000 0.974) 4.770 4.434 ( 0.394 0.000 -0.208) 0.446 4.626 ( 0.256 0.000 -6.526) 6.531 4.648 ( 2.300 0.000 -1.967) 3.026 4.776 ( 4.147 0.000 -3.548) 5.458 4.804 ( 0.300 0.000 2.387) 2.406 4.928 ( -0.733 0.000 -0.361) 0.817 5.107 ( 3.336 0.000 -0.908) 3.457 5.247 ( 3.235 0.000 -0.529) 3.278 5.345 ( 0.734 0.000 -6.059) 6.103 5.352 ( -7.259 0.000 6.493) 9.740 5.660 ( 3.082 0.000 -1.166) 3.296 5.720 ( -3.432 0.000 7.509) 8.256 5.940 ( -5.957 0.000 5.581) 8.163 6.094 ( 6.054 0.000 -11.866) 13.321 6.122 ( -1.932 0.000 5.318) 5.658 6.315 ( 6.329 0.000 -3.956) 7.464 6.383 ( -0.811 0.000 -2.948) 3.057 6.490 ( -4.945 0.000 3.102) 5.837 6.606 ( -4.779 0.000 7.792) 9.141 6.988 ( -3.419 0.000 4.456) 5.616 7.025 ( 0.576 0.000 -4.983) 5.016 7.393 ( 5.658 0.000 1.920) 5.975 7.501 ( -5.359 0.000 -8.526) 10.070 7.711 ( -8.802 0.000 6.156) 10.741 7.836 ( -3.490 0.000 1.025) 3.638 7.949 ( -3.273 0.000 -2.595) 4.177 8.397 ( 5.194 0.000 -2.864) 5.931 8.451 ( 1.251 0.000 0.941) 1.565 8.767 ( -3.772 0.000 2.341) 4.439 8.815 ( -0.415 0.000 -3.182) 3.208 9.479 ( 2.169 0.000 4.136) 4.670 9.506 ( 1.974 0.000 4.320) 4.750 9.729 ( -0.639 0.000 -2.508) 2.588 9.852 ( -3.324 0.000 -2.972) 4.459 10.143 ( 1.804 0.000 2.555) 3.127 10.205 ( -1.719 0.000 3.644) 4.029 10.270 ( -3.304 0.000 3.805) 5.040 10.412 ( 2.255 0.000 -5.907) 6.323 10.537 ( 5.488 0.000 -6.164) 8.253 10.929 ( -2.930 0.000 -1.293) 3.203 11.203 ( 1.463 0.000 0.884) 1.710 11.279 ( -0.115 0.000 1.231) 1.236 12.211 ( 3.474 0.000 -1.668) 3.853 12.343 ( 1.108 0.000 0.418) 1.184 12.445 ( 1.365 0.000 -3.747) 3.988 12.446 ( -2.212 0.000 4.511) 5.024 13.784 ( -1.851 0.000 1.634) 2.469 13.840 ( 0.763 0.000 -3.098) 3.191 13.982 ( -1.178 0.000 3.105) 3.321 14.140 ( 1.202 0.000 -1.100) 1.629 14.608 ( 0.476 0.000 -1.223) 1.312 14.625 ( -1.112 0.000 0.530) 1.232 14.836 ( -0.392 0.000 -0.719) 0.819 14.879 ( -3.839 0.000 0.064) 3.840 15.366 ( -3.213 0.000 1.578) 3.579 15.371 ( -1.649 0.000 1.033) 1.946 15.555 ( 2.788 0.000 -1.816) 3.327 15.601 ( 2.556 0.000 0.766) 2.668 15.642 ( 0.998 0.000 -0.474) 1.104 15.695 ( 1.331 0.000 2.087) 2.475 15.754 ( 0.897 0.000 -1.723) 1.942 15.774 ( -2.267 0.000 0.752) 2.388 16.281 ( 5.504 0.000 0.461) 5.524 16.487 ( 0.167 0.000 -1.675) 1.683 16.729 ( -4.484 0.000 0.440) 4.506 16.750 ( -1.065 0.000 -0.221) 1.087 17.494 ( 0.149 0.000 -0.387) 0.415 17.606 ( 1.139 0.000 -0.018) 1.139 17.644 ( -3.697 0.000 0.255) 3.706 17.651 ( -2.783 0.000 0.303) 2.800 21.191 ( 0.083 0.000 1.674) 1.676 21.209 ( 3.822 0.000 -0.929) 3.933 21.476 ( -0.199 0.000 -1.911) 1.922 21.508 ( -4.342 0.000 1.062) 4.470 26.788 ( -0.470 0.000 1.011) 1.115 26.862 ( -0.857 0.000 -0.304) 0.909 27.030 ( -2.326 0.000 -0.199) 2.334 27.125 ( -1.637 0.000 -1.225) 2.045 28.915 ( 0.697 0.000 -0.535) 0.879 28.917 ( -0.303 0.000 -0.030) 0.304 28.934 ( 0.369 0.000 -0.553) 0.665 28.987 ( -1.842 0.000 1.216) 2.207 29.562 ( 0.464 0.000 1.264) 1.347 29.681 ( 2.401 0.000 -2.240) 3.284 29.758 ( -1.909 0.000 -1.017) 2.163 29.916 ( -6.218 0.000 2.628) 6.750 30.394 ( 3.986 0.000 1.627) 4.305 30.692 ( -3.314 0.000 1.924) 3.832 30.711 ( 5.098 0.000 -5.655) 7.614 30.792 ( 0.270 0.000 1.834) 1.854 30.957 ( 2.389 0.000 2.291) 3.310 31.155 ( -3.619 0.000 -1.703) 3.999 31.338 ( -4.700 0.000 -3.492) 5.856 31.444 ( -0.966 0.000 6.197) 6.272 31.760 ( -0.345 0.000 -2.343) 2.369 31.793 ( -1.875 0.000 1.036) 2.142 32.640 ( 2.057 0.000 -0.082) 2.059 32.720 ( 5.632 0.000 -8.800) 10.448 32.894 ( 1.193 0.000 1.226) 1.711 33.019 ( 1.117 0.000 6.131) 6.232 33.832 ( -3.092 0.000 10.124) 10.586 33.966 ( 8.914 0.000 -10.056) 13.438 ======================= Grid point 82 (30/88) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -2.022 0.000 2.177) 2.971 1.308 ( -0.004 0.000 -0.323) 0.323 1.341 ( 0.123 0.000 1.130) 1.136 1.399 ( 1.338 0.000 -1.313) 1.875 1.626 ( -0.864 0.000 0.441) 0.970 1.650 ( 0.637 0.000 -0.452) 0.781 1.880 ( -0.671 0.000 0.545) 0.864 1.905 ( 2.196 0.000 -0.899) 2.373 2.035 ( 0.659 0.000 3.646) 3.705 2.114 ( -1.143 0.000 1.034) 1.541 2.210 ( 0.283 0.000 -2.039) 2.058 2.325 ( 5.755 0.000 -6.400) 8.607 2.456 ( -8.146 0.000 1.436) 8.272 2.578 ( 7.960 0.000 -7.532) 10.959 2.616 ( 8.165 0.000 8.655) 11.898 2.837 ( -9.805 0.000 1.003) 9.856 3.162 ( -11.919 0.000 7.497) 14.081 3.179 ( 3.051 0.000 5.840) 6.589 3.270 ( 6.033 0.000 6.550) 8.905 3.361 ( -0.981 0.000 1.489) 1.784 3.636 ( -2.045 0.000 0.308) 2.068 3.655 ( -1.414 0.000 0.457) 1.486 3.741 ( 0.254 0.000 2.269) 2.283 3.860 ( -1.656 0.000 0.469) 1.721 3.866 ( 2.386 0.000 -1.342) 2.737 3.994 ( 4.440 0.000 -6.142) 7.579 4.002 ( 1.907 0.000 -0.156) 1.914 4.057 ( -0.659 0.000 -2.273) 2.367 4.189 ( 2.923 0.000 -0.686) 3.003 4.412 ( -0.277 0.000 -4.649) 4.657 4.424 ( 2.830 0.000 3.696) 4.655 4.536 ( -4.325 0.000 -7.859) 8.971 4.729 ( 5.293 0.000 0.796) 5.352 4.772 ( -4.242 0.000 1.382) 4.462 4.811 ( 0.361 0.000 2.088) 2.119 4.920 ( 0.724 0.000 -5.138) 5.189 5.167 ( 4.634 0.000 -1.727) 4.946 5.228 ( -5.978 0.000 3.404) 6.879 5.276 ( -1.832 0.000 -3.331) 3.801 5.324 ( 1.507 0.000 -3.775) 4.065 5.694 ( -4.745 0.000 6.232) 7.833 5.699 ( 1.331 0.000 1.050) 1.695 5.864 ( -4.188 0.000 0.951) 4.295 6.123 ( -3.090 0.000 6.003) 6.752 6.130 ( 7.777 0.000 -9.388) 12.191 6.325 ( -0.191 0.000 -4.264) 4.268 6.429 ( -3.504 0.000 0.928) 3.625 6.443 ( 4.085 0.000 2.239) 4.658 6.686 ( 3.355 0.000 11.161) 11.654 6.963 ( -1.898 0.000 4.188) 4.598 7.003 ( 1.355 0.000 -4.875) 5.060 7.300 ( -5.193 0.000 -9.371) 10.714 7.577 ( -6.982 0.000 1.645) 7.173 7.577 ( 7.673 0.000 3.413) 8.398 7.816 ( 0.805 0.000 0.784) 1.124 7.905 ( 0.572 0.000 -2.299) 2.369 8.441 ( -2.180 0.000 -0.752) 2.306 8.469 ( 3.817 0.000 -2.428) 4.524 8.711 ( -3.217 0.000 1.977) 3.776 8.813 ( 2.455 0.000 -2.755) 3.690 9.531 ( -0.541 0.000 5.025) 5.054 9.542 ( -1.591 0.000 4.123) 4.420 9.714 ( 0.995 0.000 -1.896) 2.141 9.787 ( -0.563 0.000 -4.674) 4.708 10.194 ( -0.592 0.000 4.602) 4.640 10.199 ( -1.685 0.000 3.287) 3.694 10.260 ( 0.111 0.000 4.012) 4.013 10.434 ( 3.925 0.000 -3.972) 5.584 10.605 ( 5.139 0.000 -1.970) 5.504 10.812 ( -5.208 0.000 -8.417) 9.898 11.228 ( 0.079 0.000 1.681) 1.682 11.268 ( -1.593 0.000 -0.029) 1.593 12.266 ( 3.721 0.000 -1.101) 3.881 12.313 ( -1.980 0.000 -2.461) 3.158 12.415 ( -4.735 0.000 3.709) 6.015 12.494 ( 3.876 0.000 -0.174) 3.880 13.767 ( -1.084 0.000 1.117) 1.556 13.844 ( 1.906 0.000 -2.581) 3.209 13.994 ( -0.648 0.000 4.256) 4.305 14.139 ( 0.020 0.000 -2.063) 2.063 14.599 ( -1.794 0.000 -0.329) 1.824 14.610 ( 0.331 0.000 -1.020) 1.072 14.836 ( -0.542 0.000 0.043) 0.544 14.846 ( 1.681 0.000 -0.561) 1.773 15.343 ( -0.288 0.000 1.839) 1.861 15.358 ( -0.246 0.000 0.735) 0.776 15.596 ( 1.846 0.000 0.356) 1.880 15.626 ( -1.277 0.000 -0.503) 1.373 15.655 ( 0.751 0.000 0.603) 0.962 15.711 ( -1.035 0.000 -1.550) 1.864 15.720 ( -2.485 0.000 0.772) 2.602 15.764 ( 1.843 0.000 -0.920) 2.060 16.370 ( 1.370 0.000 2.026) 2.446 16.476 ( -0.306 0.000 -2.215) 2.236 16.673 ( -0.667 0.000 0.862) 1.090 16.727 ( -0.201 0.000 -1.281) 1.296 17.513 ( 1.483 0.000 1.566) 2.157 17.587 ( -1.434 0.000 -1.417) 2.016 17.623 ( -0.417 0.000 0.115) 0.433 17.624 ( 0.452 0.000 0.107) 0.464 21.193 ( -1.224 0.000 1.423) 1.877 21.254 ( 1.120 0.000 -1.010) 1.508 21.451 ( -1.681 0.000 0.440) 1.737 21.482 ( 1.944 0.000 -0.766) 2.090 26.816 ( 1.275 0.000 3.910) 4.113 26.887 ( 2.293 0.000 2.963) 3.747 26.984 ( -1.339 0.000 -2.563) 2.892 27.067 ( -2.052 0.000 -4.699) 5.128 28.911 ( -0.281 0.000 -0.188) 0.338 28.921 ( 0.380 0.000 -0.631) 0.737 28.948 ( 1.114 0.000 0.478) 1.212 28.960 ( -1.560 0.000 0.045) 1.561 29.578 ( -0.309 0.000 2.046) 2.069 29.705 ( 2.116 0.000 -3.569) 4.149 29.778 ( 3.422 0.000 2.498) 4.237 29.824 ( -4.517 0.000 0.783) 4.584 30.466 ( 1.412 0.000 1.953) 2.410 30.654 ( -2.436 0.000 4.136) 4.800 30.656 ( -2.359 0.000 -6.800) 7.197 30.869 ( 4.036 0.000 -2.525) 4.761 30.944 ( -4.335 0.000 2.155) 4.841 31.101 ( -0.147 0.000 -2.745) 2.749 31.374 ( 7.257 0.000 5.207) 8.932 31.434 ( -3.526 0.000 2.328) 4.225 31.756 ( -1.895 0.000 -0.783) 2.051 31.764 ( 2.058 0.000 -0.634) 2.154 32.619 ( -2.084 0.000 -2.640) 3.364 32.723 ( 1.982 0.000 -8.595) 8.821 32.966 ( 2.399 0.000 5.278) 5.798 33.056 ( -1.518 0.000 3.624) 3.929 33.781 ( -8.283 0.000 5.104) 9.730 34.057 ( 7.043 0.000 -5.591) 8.993 ======================= Grid point 83 (31/88) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -4.216 0.000 4.479) 6.151 1.289 ( -1.632 0.000 -1.448) 2.182 1.388 ( 2.546 0.000 0.550) 2.605 1.412 ( -0.688 0.000 -0.427) 0.810 1.574 ( -4.477 0.000 0.168) 4.480 1.634 ( -1.715 0.000 -0.427) 1.767 1.868 ( -0.501 0.000 -0.277) 0.573 1.916 ( -0.434 0.000 -0.472) 0.641 2.086 ( 1.734 0.000 1.232) 2.127 2.147 ( 3.504 0.000 -0.679) 3.569 2.165 ( -3.413 0.000 -1.619) 3.777 2.314 ( -1.766 0.000 -8.738) 8.915 2.361 ( -1.873 0.000 1.151) 2.198 2.614 ( -4.280 0.000 -2.598) 5.007 2.702 ( 1.731 0.000 -1.285) 2.156 2.862 ( 7.696 0.000 11.033) 13.452 3.006 ( -8.562 0.000 4.609) 9.724 3.282 ( 1.261 0.000 7.814) 7.915 3.315 ( -3.461 0.000 -2.104) 4.050 3.454 ( 7.000 0.000 4.865) 8.525 3.580 ( -6.140 0.000 -3.348) 6.993 3.590 ( -2.639 0.000 -1.043) 2.837 3.747 ( -1.796 0.000 2.478) 3.061 3.829 ( -1.151 0.000 6.003) 6.112 3.852 ( -4.325 0.000 -0.093) 4.326 3.963 ( -5.203 0.000 -0.316) 5.213 3.970 ( -6.710 0.000 -5.668) 8.784 4.007 ( 0.896 0.000 -2.270) 2.440 4.197 ( -1.923 0.000 0.126) 1.927 4.336 ( -1.470 0.000 -13.677) 13.756 4.407 ( -1.685 0.000 -0.036) 1.685 4.477 ( -2.232 0.000 6.692) 7.054 4.693 ( -4.341 0.000 -2.771) 5.150 4.775 ( -0.262 0.000 -1.798) 1.816 4.825 ( -4.939 0.000 -8.450) 9.788 4.871 ( 1.937 0.000 7.227) 7.482 5.153 ( -3.267 0.000 0.962) 3.406 5.220 ( -0.021 0.000 -4.194) 4.195 5.251 ( 4.073 0.000 0.635) 4.122 5.344 ( 1.791 0.000 -1.039) 2.070 5.648 ( -4.317 0.000 4.638) 6.336 5.755 ( 2.290 0.000 5.803) 6.238 5.813 ( 0.186 0.000 -2.899) 2.905 6.073 ( -8.168 0.000 6.324) 10.330 6.235 ( 6.873 0.000 -7.633) 10.271 6.308 ( 4.412 0.000 -3.955) 5.925 6.399 ( 2.230 0.000 -2.148) 3.096 6.484 ( -3.460 0.000 6.312) 7.198 6.795 ( 0.029 0.000 5.315) 5.316 7.000 ( 2.952 0.000 -7.019) 7.614 7.035 ( 3.785 0.000 11.265) 11.884 7.181 ( 0.009 0.000 -6.400) 6.400 7.476 ( -2.388 0.000 -3.676) 4.383 7.752 ( 6.299 0.000 4.941) 8.006 7.868 ( 3.758 0.000 0.217) 3.764 7.943 ( 5.731 0.000 -2.610) 6.297 8.380 ( -2.438 0.000 -1.711) 2.979 8.470 ( -2.670 0.000 -0.240) 2.681 8.714 ( 2.629 0.000 1.027) 2.823 8.850 ( 2.935 0.000 -1.791) 3.438 9.529 ( -3.011 0.000 5.170) 5.983 9.530 ( -3.811 0.000 5.222) 6.465 9.738 ( 2.269 0.000 -0.286) 2.287 9.744 ( 0.513 0.000 -6.889) 6.908 10.180 ( -3.197 0.000 3.913) 5.053 10.197 ( -0.901 0.000 2.818) 2.958 10.330 ( 3.320 0.000 2.042) 3.898 10.480 ( 3.232 0.000 -4.741) 5.738 10.630 ( -4.264 0.000 -11.894) 12.635 10.702 ( 4.273 0.000 4.272) 6.043 11.220 ( -3.137 0.000 -0.532) 3.182 11.233 ( -1.253 0.000 2.594) 2.881 12.261 ( -1.044 0.000 -3.035) 3.210 12.327 ( -6.659 0.000 2.152) 6.998 12.335 ( 3.809 0.000 0.174) 3.813 12.552 ( 1.730 0.000 0.248) 1.747 13.764 ( 0.049 0.000 0.719) 0.721 13.869 ( 2.631 0.000 -2.306) 3.498 14.019 ( -0.527 0.000 4.729) 4.758 14.114 ( -0.598 0.000 -2.549) 2.618 14.555 ( -2.302 0.000 -0.525) 2.361 14.598 ( -0.804 0.000 -0.272) 0.848 14.866 ( 3.892 0.000 -0.854) 3.985 14.883 ( 2.380 0.000 0.269) 2.395 15.371 ( 0.541 0.000 1.368) 1.471 15.385 ( 3.210 0.000 1.235) 3.439 15.570 ( -2.780 0.000 -1.986) 3.417 15.614 ( -0.812 0.000 0.953) 1.253 15.629 ( -4.724 0.000 -0.162) 4.727 15.673 ( 0.573 0.000 1.629) 1.727 15.717 ( 0.773 0.000 -1.283) 1.498 15.797 ( 1.224 0.000 0.416) 1.292 16.362 ( -2.961 0.000 3.573) 4.641 16.417 ( -3.231 0.000 -4.746) 5.741 16.718 ( 3.462 0.000 0.418) 3.487 16.738 ( 1.832 0.000 -0.239) 1.847 17.563 ( 0.232 0.000 -3.082) 3.091 17.577 ( 3.433 0.000 2.876) 4.479 17.629 ( 0.960 0.000 -0.696) 1.185 17.635 ( 0.787 0.000 1.066) 1.325 21.167 ( -2.271 0.000 0.670) 2.368 21.229 ( -2.758 0.000 0.096) 2.759 21.461 ( 2.491 0.000 -1.163) 2.749 21.533 ( 3.428 0.000 0.294) 3.441 26.896 ( 3.431 0.000 5.328) 6.337 26.946 ( -0.075 0.000 -3.662) 3.663 26.979 ( 4.138 0.000 4.529) 6.135 26.981 ( -2.142 0.000 -6.900) 7.225 28.904 ( -0.250 0.000 -0.268) 0.367 28.920 ( -0.173 0.000 -0.111) 0.205 28.933 ( -0.691 0.000 -0.862) 1.105 28.982 ( 1.636 0.000 1.337) 2.113 29.583 ( -0.713 0.000 2.017) 2.140 29.676 ( -2.349 0.000 -3.210) 3.978 29.795 ( 2.105 0.000 -2.038) 2.930 29.905 ( 6.814 0.000 3.857) 7.830 30.452 ( -5.366 0.000 5.159) 7.443 30.562 ( -2.007 0.000 -6.412) 6.719 30.687 ( 2.601 0.000 2.904) 3.898 30.782 ( -5.471 0.000 -2.440) 5.991 31.008 ( 3.751 0.000 4.729) 6.036 31.097 ( 1.705 0.000 -3.683) 4.058 31.365 ( -3.583 0.000 -0.678) 3.646 31.582 ( 9.057 0.000 4.258) 10.008 31.719 ( -1.085 0.000 -1.256) 1.659 31.817 ( 3.588 0.000 -0.665) 3.649 32.546 ( -4.027 0.000 -0.669) 4.082 32.673 ( -0.651 0.000 -6.856) 6.887 33.016 ( -4.740 0.000 1.692) 5.033 33.034 ( 0.754 0.000 4.088) 4.157 33.614 ( -12.047 0.000 2.702) 12.347 34.140 ( 5.112 0.000 -2.610) 5.740 ======================= Grid point 84 (32/88) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -6.519 0.000 6.465) 9.182 1.194 ( -8.350 0.000 -6.307) 10.464 1.309 ( -8.271 0.000 -0.981) 8.329 1.404 ( -1.766 0.000 2.015) 2.679 1.528 ( 2.421 0.000 -1.022) 2.628 1.592 ( -1.928 0.000 -1.108) 2.223 1.864 ( -0.366 0.000 0.294) 0.470 1.885 ( -2.241 0.000 -1.363) 2.623 2.074 ( -1.580 0.000 -2.579) 3.024 2.116 ( -2.146 0.000 2.115) 3.013 2.119 ( -2.468 0.000 -8.302) 8.661 2.262 ( 0.356 0.000 -0.578) 0.679 2.386 ( 2.137 0.000 2.012) 2.935 2.446 ( -11.466 0.000 0.781) 11.493 2.794 ( 6.078 0.000 0.898) 6.144 2.923 ( -3.088 0.000 1.119) 3.284 3.017 ( 0.275 0.000 7.587) 7.592 3.211 ( -4.672 0.000 -4.014) 6.159 3.308 ( -4.500 0.000 5.771) 7.318 3.384 ( -10.054 0.000 -6.465) 11.953 3.495 ( -2.983 0.000 -6.445) 7.102 3.545 ( -3.492 0.000 4.224) 5.481 3.644 ( -14.923 0.000 -2.605) 15.149 3.732 ( -0.481 0.000 2.475) 2.521 3.782 ( -6.161 0.000 -1.491) 6.339 3.855 ( -2.671 0.000 -1.226) 2.939 3.958 ( 5.178 0.000 8.374) 9.845 4.022 ( 2.407 0.000 -4.559) 5.156 4.151 ( -3.999 0.000 5.970) 7.185 4.262 ( 1.509 0.000 -7.349) 7.502 4.384 ( -2.816 0.000 -0.020) 2.816 4.437 ( -6.349 0.000 4.505) 7.785 4.566 ( -3.340 0.000 -8.032) 8.698 4.652 ( -6.102 0.000 -5.642) 8.311 4.724 ( -2.924 0.000 -2.515) 3.856 4.945 ( -0.666 0.000 7.513) 7.542 5.108 ( -2.455 0.000 0.211) 2.464 5.235 ( 4.372 0.000 -3.297) 5.476 5.276 ( 0.134 0.000 -7.157) 7.159 5.362 ( -3.147 0.000 9.271) 9.790 5.614 ( -2.242 0.000 3.341) 4.023 5.844 ( 6.412 0.000 -5.340) 8.345 5.872 ( 4.833 0.000 6.270) 7.916 5.927 ( -10.623 0.000 5.620) 12.018 6.198 ( -1.636 0.000 -7.352) 7.532 6.411 ( -5.026 0.000 5.362) 7.349 6.472 ( 8.927 0.000 -3.977) 9.773 6.492 ( 8.785 0.000 -3.207) 9.352 6.802 ( -2.643 0.000 5.278) 5.903 7.026 ( 6.709 0.000 -7.175) 9.823 7.201 ( 4.834 0.000 -2.630) 5.504 7.229 ( 5.176 0.000 13.898) 14.830 7.421 ( 0.877 0.000 -6.693) 6.750 7.876 ( 3.350 0.000 4.376) 5.511 7.939 ( 3.200 0.000 0.447) 3.231 8.070 ( 9.377 0.000 -3.745) 10.097 8.348 ( 0.221 0.000 -1.113) 1.135 8.400 ( -4.000 0.000 1.183) 4.171 8.801 ( 5.022 0.000 1.060) 5.132 8.881 ( 1.334 0.000 -1.481) 1.993 9.473 ( -5.855 0.000 4.263) 7.242 9.514 ( -3.355 0.000 5.795) 6.696 9.709 ( 2.640 0.000 -8.026) 8.449 9.786 ( 1.913 0.000 2.197) 2.913 10.154 ( -2.492 0.000 3.592) 4.372 10.202 ( -1.742 0.000 3.078) 3.537 10.375 ( -3.250 0.000 -14.479) 14.839 10.393 ( 2.923 0.000 -1.103) 3.124 10.589 ( 4.380 0.000 -5.054) 6.688 10.818 ( 2.101 0.000 8.329) 8.590 11.151 ( -3.500 0.000 -0.245) 3.508 11.220 ( -2.474 0.000 3.117) 3.980 12.204 ( -7.727 0.000 2.275) 8.055 12.231 ( 0.275 0.000 -3.193) 3.205 12.411 ( 3.749 0.000 0.384) 3.769 12.553 ( -1.427 0.000 -0.881) 1.677 13.784 ( 1.691 0.000 0.655) 1.813 13.903 ( 2.885 0.000 -2.358) 3.726 14.039 ( -0.974 0.000 3.887) 4.007 14.082 ( -0.707 0.000 -2.227) 2.336 14.515 ( -1.958 0.000 1.365) 2.387 14.593 ( 0.667 0.000 0.364) 0.760 14.939 ( 3.122 0.000 0.840) 3.233 14.954 ( 6.081 0.000 -1.582) 6.283 15.386 ( -0.869 0.000 2.436) 2.586 15.455 ( 2.761 0.000 -0.835) 2.885 15.514 ( -0.885 0.000 -2.648) 2.792 15.551 ( -3.383 0.000 2.731) 4.348 15.595 ( -0.980 0.000 -0.633) 1.167 15.713 ( 1.969 0.000 2.277) 3.010 15.723 ( 0.541 0.000 -0.896) 1.047 15.806 ( -0.641 0.000 0.876) 1.085 16.299 ( -4.001 0.000 -6.388) 7.537 16.358 ( -0.651 0.000 5.292) 5.332 16.768 ( 0.340 0.000 1.018) 1.073 16.770 ( 1.680 0.000 -0.327) 1.711 17.527 ( -1.210 0.000 -3.941) 4.123 17.636 ( 1.569 0.000 -2.207) 2.708 17.684 ( 4.488 0.000 3.248) 5.541 17.689 ( 3.411 0.000 2.522) 4.242 21.123 ( -2.472 0.000 -0.204) 2.481 21.176 ( -2.989 0.000 1.030) 3.161 21.506 ( 3.430 0.000 -2.093) 4.019 21.605 ( 3.557 0.000 0.619) 3.611 26.887 ( -1.930 0.000 -6.561) 6.839 26.930 ( 1.234 0.000 -3.740) 3.938 27.017 ( 4.729 0.000 5.055) 6.922 27.101 ( 5.181 0.000 3.612) 6.316 28.900 ( 0.133 0.000 -0.386) 0.408 28.905 ( -1.141 0.000 0.073) 1.144 28.932 ( 0.882 0.000 -0.474) 1.001 29.025 ( 1.575 0.000 1.763) 2.364 29.584 ( -0.743 0.000 1.633) 1.794 29.605 ( -2.240 0.000 -2.564) 3.405 29.845 ( 5.037 0.000 -2.962) 5.843 30.068 ( 7.343 0.000 2.330) 7.704 30.370 ( -7.730 0.000 6.465) 10.077 30.481 ( -1.591 0.000 -5.891) 6.102 30.694 ( -3.050 0.000 1.079) 3.235 30.768 ( 3.433 0.000 2.353) 4.162 31.072 ( -0.853 0.000 -6.378) 6.435 31.100 ( 1.622 0.000 4.523) 4.805 31.334 ( 0.916 0.000 1.002) 1.358 31.690 ( -1.734 0.000 -0.140) 1.739 31.735 ( 4.775 0.000 0.178) 4.779 31.853 ( 0.504 0.000 -2.629) 2.677 32.467 ( -4.293 0.000 1.155) 4.445 32.608 ( -2.085 0.000 -2.851) 3.532 32.923 ( -5.129 0.000 0.164) 5.131 33.057 ( -0.462 0.000 1.518) 1.587 33.408 ( -11.135 0.000 3.539) 11.683 34.204 ( 3.599 0.000 -2.485) 4.373 ======================= Grid point 85 (33/88) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -20.828 0.000 -9.001) 22.690 0.963 ( -19.326 0.000 8.062) 20.941 1.183 ( -6.224 0.000 -0.054) 6.224 1.456 ( 3.473 0.000 3.557) 4.971 1.543 ( -2.722 0.000 -1.953) 3.350 1.615 ( 7.830 0.000 -4.099) 8.838 1.727 ( -22.475 0.000 4.962) 23.017 1.793 ( -6.121 0.000 -2.983) 6.809 2.030 ( -5.921 0.000 -0.487) 5.941 2.040 ( -0.956 0.000 -0.913) 1.322 2.084 ( -2.339 0.000 2.101) 3.144 2.112 ( -3.304 0.000 -0.525) 3.345 2.402 ( 3.252 0.000 -0.670) 3.320 2.442 ( 1.766 0.000 2.037) 2.695 2.822 ( 2.685 0.000 -16.034) 16.257 2.944 ( -12.570 0.000 2.482) 12.813 2.954 ( 0.487 0.000 8.919) 8.932 3.119 ( -3.522 0.000 0.253) 3.531 3.186 ( -3.967 0.000 1.540) 4.256 3.208 ( -9.022 0.000 0.765) 9.055 3.374 ( -12.593 0.000 -1.616) 12.696 3.380 ( -3.868 0.000 2.752) 4.747 3.509 ( -0.974 0.000 0.773) 1.243 3.704 ( -0.897 0.000 -2.959) 3.092 3.759 ( -1.154 0.000 2.932) 3.151 3.856 ( 6.390 0.000 -8.896) 10.953 3.996 ( 0.033 0.000 -9.721) 9.721 4.019 ( 0.134 0.000 -2.054) 2.059 4.179 ( -4.741 0.000 13.920) 14.705 4.246 ( -1.440 0.000 1.891) 2.376 4.276 ( -6.943 0.000 -1.459) 7.094 4.320 ( -5.266 0.000 -2.971) 6.046 4.497 ( 2.322 0.000 -7.162) 7.529 4.573 ( 0.657 0.000 1.392) 1.539 4.653 ( -3.981 0.000 1.094) 4.129 4.950 ( -4.739 0.000 7.153) 8.580 5.052 ( -2.740 0.000 -2.564) 3.752 5.188 ( -1.840 0.000 -7.778) 7.993 5.304 ( 4.279 0.000 -1.706) 4.606 5.340 ( -5.058 0.000 5.882) 7.757 5.616 ( -0.570 0.000 2.578) 2.640 5.820 ( -6.875 0.000 11.621) 13.503 5.960 ( 10.925 0.000 -7.460) 13.229 6.001 ( 0.686 0.000 6.135) 6.173 6.087 ( 1.187 0.000 -15.852) 15.896 6.325 ( -8.803 0.000 11.772) 14.699 6.617 ( 10.765 0.000 -10.268) 14.877 6.618 ( 6.228 0.000 -4.043) 7.425 6.798 ( -3.528 0.000 10.135) 10.731 7.154 ( 10.096 0.000 -2.527) 10.407 7.294 ( 7.622 0.000 -3.599) 8.429 7.367 ( 0.450 0.000 5.261) 5.281 7.450 ( 4.323 0.000 3.055) 5.294 7.971 ( 4.807 0.000 2.020) 5.214 7.994 ( 1.262 0.000 2.900) 3.163 8.176 ( 5.401 0.000 -9.193) 10.663 8.342 ( -0.891 0.000 -1.681) 1.902 8.382 ( 1.410 0.000 2.373) 2.760 8.874 ( -0.576 0.000 -1.486) 1.593 8.894 ( 3.549 0.000 0.559) 3.593 9.389 ( -5.644 0.000 2.920) 6.355 9.478 ( -3.389 0.000 1.675) 3.781 9.750 ( 7.229 0.000 -5.403) 9.025 9.837 ( 0.420 0.000 4.732) 4.751 10.116 ( -6.292 0.000 -3.600) 7.249 10.151 ( -0.938 0.000 4.692) 4.785 10.293 ( 3.271 0.000 -6.775) 7.523 10.430 ( 2.593 0.000 -2.209) 3.407 10.626 ( 2.733 0.000 -4.163) 4.980 10.871 ( -4.084 0.000 7.672) 8.691 11.098 ( -1.487 0.000 -0.505) 1.571 11.192 ( -2.504 0.000 2.349) 3.433 12.082 ( -7.183 0.000 2.768) 7.697 12.214 ( 0.704 0.000 -4.916) 4.966 12.477 ( 2.731 0.000 0.603) 2.797 12.496 ( -3.131 0.000 -1.202) 3.354 13.837 ( 3.141 0.000 0.772) 3.235 13.937 ( 2.561 0.000 -2.345) 3.472 14.041 ( -1.208 0.000 2.166) 2.481 14.055 ( -0.733 0.000 -1.346) 1.533 14.522 ( 0.013 0.000 7.155) 7.155 14.635 ( 3.079 0.000 1.026) 3.245 15.008 ( 3.105 0.000 1.261) 3.351 15.055 ( 5.698 0.000 -1.522) 5.898 15.375 ( -1.743 0.000 1.867) 2.554 15.447 ( -1.755 0.000 -0.259) 1.774 15.502 ( 0.889 0.000 -0.632) 1.091 15.544 ( -0.999 0.000 1.761) 2.025 15.598 ( 1.757 0.000 -0.146) 1.763 15.722 ( -3.838 0.000 1.808) 4.242 15.727 ( 1.219 0.000 -1.343) 1.814 15.837 ( 4.957 0.000 -2.263) 5.449 16.212 ( 0.032 0.000 -2.805) 2.805 16.418 ( 2.117 0.000 5.607) 5.993 16.745 ( -4.226 0.000 1.216) 4.397 16.768 ( -1.378 0.000 -1.492) 2.031 17.471 ( -1.720 0.000 -2.152) 2.755 17.646 ( 2.329 0.000 -4.379) 4.959 17.788 ( 3.548 0.000 3.237) 4.803 17.789 ( 4.496 0.000 3.401) 5.637 21.076 ( -2.066 0.000 -0.530) 2.133 21.137 ( -2.221 0.000 1.397) 2.624 21.555 ( 3.424 0.000 -1.849) 3.892 21.667 ( 2.581 0.000 0.100) 2.583 26.822 ( -0.554 0.000 -2.170) 2.239 26.937 ( 1.842 0.000 -1.815) 2.586 27.140 ( 4.673 0.000 3.417) 5.789 27.214 ( 4.630 0.000 0.818) 4.702 28.886 ( -0.978 0.000 0.296) 1.021 28.904 ( 0.690 0.000 -0.598) 0.913 28.957 ( 1.613 0.000 1.103) 1.954 29.061 ( 0.744 0.000 1.400) 1.585 29.563 ( -0.595 0.000 -1.284) 1.415 29.579 ( -0.886 0.000 1.264) 1.543 29.939 ( 6.911 0.000 -1.630) 7.101 30.200 ( 5.374 0.000 -0.129) 5.375 30.272 ( -7.176 0.000 5.429) 8.998 30.415 ( -0.857 0.000 -4.781) 4.857 30.682 ( 0.277 0.000 2.013) 2.032 30.842 ( 2.508 0.000 1.930) 3.165 30.989 ( -1.700 0.000 -7.054) 7.256 31.120 ( -3.275 0.000 4.240) 5.358 31.392 ( 2.601 0.000 2.986) 3.960 31.642 ( -4.046 0.000 1.610) 4.355 31.739 ( -3.420 0.000 -6.653) 7.481 31.784 ( -5.152 0.000 0.746) 5.206 32.415 ( -2.252 0.000 1.758) 2.857 32.540 ( -3.686 0.000 -1.339) 3.922 32.859 ( -1.865 0.000 1.520) 2.406 33.049 ( -0.513 0.000 -0.577) 0.772 33.295 ( -3.505 0.000 3.806) 5.174 34.222 ( 1.984 0.000 -8.881) 9.100 ======================= Grid point 86 (34/88) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -12.072 0.000 16.076) 20.103 0.653 ( -21.486 0.000 16.593) 27.147 0.953 ( -29.844 0.000 14.071) 32.995 1.233 ( -13.380 0.000 -0.971) 13.415 1.495 ( -2.116 0.000 -2.742) 3.463 1.532 ( -0.879 0.000 -1.105) 1.412 1.640 ( -4.950 0.000 -3.198) 5.894 1.737 ( 9.274 0.000 -7.666) 12.032 1.953 ( -2.456 0.000 0.306) 2.475 2.004 ( -1.726 0.000 -0.838) 1.919 2.080 ( -0.319 0.000 2.269) 2.291 2.176 ( 4.792 0.000 12.789) 13.657 2.437 ( 1.293 0.000 -3.308) 3.552 2.478 ( 0.714 0.000 1.268) 1.455 2.664 ( -16.618 0.000 4.042) 17.103 2.733 ( 1.417 0.000 -16.730) 16.790 2.998 ( 1.136 0.000 5.017) 5.144 3.053 ( -4.584 0.000 -4.318) 6.297 3.116 ( 0.600 0.000 7.747) 7.770 3.138 ( -4.912 0.000 -4.825) 6.886 3.305 ( 2.982 0.000 13.958) 14.273 3.367 ( -1.127 0.000 1.148) 1.608 3.511 ( -1.092 0.000 1.556) 1.901 3.661 ( -0.828 0.000 -7.995) 8.038 3.684 ( -6.037 0.000 -0.121) 6.038 3.839 ( -8.536 0.000 -12.367) 15.026 3.911 ( 5.442 0.000 -10.516) 11.840 4.040 ( 3.533 0.000 0.210) 3.540 4.111 ( -2.754 0.000 -5.283) 5.958 4.150 ( -4.612 0.000 -0.300) 4.622 4.244 ( -1.948 0.000 5.993) 6.302 4.273 ( -0.602 0.000 3.019) 3.078 4.514 ( 2.967 0.000 -6.335) 6.995 4.555 ( -7.804 0.000 1.470) 7.941 4.710 ( 8.473 0.000 10.065) 13.157 4.888 ( -8.331 0.000 8.788) 12.109 4.965 ( -2.434 0.000 -6.335) 6.787 5.109 ( -0.239 0.000 -8.515) 8.519 5.299 ( -0.707 0.000 -1.005) 1.229 5.340 ( 0.230 0.000 -1.469) 1.487 5.602 ( -2.931 0.000 1.781) 3.430 5.833 ( -9.004 0.000 -11.865) 14.894 5.844 ( -3.353 0.000 17.050) 17.376 6.079 ( -2.125 0.000 -1.496) 2.598 6.141 ( 13.806 0.000 -5.846) 14.993 6.361 ( 5.259 0.000 11.071) 12.256 6.644 ( -0.694 0.000 -2.133) 2.243 6.733 ( 10.328 0.000 -5.439) 11.672 6.839 ( -1.382 0.000 11.729) 11.810 7.282 ( 3.642 0.000 -0.784) 3.725 7.448 ( 6.075 0.000 4.037) 7.294 7.470 ( 14.349 0.000 -4.696) 15.098 7.533 ( -0.143 0.000 10.953) 10.954 8.006 ( -2.669 0.000 1.883) 3.266 8.082 ( 4.126 0.000 1.702) 4.463 8.097 ( -6.114 0.000 -15.041) 16.236 8.272 ( -3.608 0.000 -3.303) 4.892 8.432 ( 1.726 0.000 -2.568) 3.094 8.850 ( -0.375 0.000 -1.732) 1.772 8.925 ( 0.127 0.000 -1.429) 1.434 9.319 ( -3.990 0.000 2.745) 4.842 9.433 ( -1.395 0.000 -0.786) 1.601 9.852 ( -2.376 0.000 2.491) 3.443 9.866 ( 8.615 0.000 -5.845) 10.411 10.024 ( -0.962 0.000 1.950) 2.175 10.201 ( 2.121 0.000 4.942) 5.378 10.334 ( 4.817 0.000 -3.189) 5.776 10.460 ( 2.160 0.000 -1.574) 2.672 10.620 ( -0.559 0.000 -2.127) 2.199 10.763 ( -12.245 0.000 5.094) 13.262 11.094 ( 1.811 0.000 -1.706) 2.488 11.157 ( -2.633 0.000 -0.668) 2.717 11.983 ( -5.528 0.000 2.987) 6.283 12.155 ( -1.632 0.000 -8.350) 8.508 12.447 ( -1.509 0.000 1.252) 1.961 12.519 ( 1.232 0.000 0.455) 1.313 13.904 ( 3.068 0.000 0.820) 3.175 13.966 ( 2.170 0.000 -1.183) 2.471 14.034 ( -0.801 0.000 -0.329) 0.866 14.035 ( -0.683 0.000 1.089) 1.285 14.701 ( 12.702 0.000 16.515) 20.834 14.712 ( 3.444 0.000 1.854) 3.911 15.069 ( 1.894 0.000 2.734) 3.326 15.131 ( 2.801 0.000 -0.387) 2.828 15.366 ( -0.019 0.000 1.384) 1.384 15.411 ( -1.904 0.000 0.243) 1.919 15.525 ( 0.921 0.000 0.469) 1.033 15.538 ( -0.663 0.000 0.510) 0.836 15.634 ( 2.541 0.000 0.960) 2.716 15.639 ( -5.511 0.000 2.096) 5.896 15.778 ( 6.135 0.000 1.489) 6.313 15.901 ( 5.654 0.000 -6.378) 8.523 16.288 ( 7.445 0.000 2.320) 7.798 16.482 ( 0.170 0.000 -0.667) 0.689 16.614 ( -10.419 0.000 -0.097) 10.420 16.660 ( -8.833 0.000 -7.765) 11.761 17.453 ( -0.119 0.000 2.814) 2.817 17.658 ( 3.160 0.000 -5.892) 6.686 17.857 ( 1.177 0.000 2.793) 3.031 17.895 ( 3.785 0.000 1.254) 3.987 21.056 ( 0.574 0.000 2.522) 2.586 21.112 ( -1.528 0.000 1.264) 1.983 21.606 ( 2.928 0.000 -0.490) 2.968 21.700 ( 1.221 0.000 -0.372) 1.276 26.926 ( 10.747 0.000 13.477) 17.237 26.977 ( 3.843 0.000 4.677) 6.054 27.223 ( 1.975 0.000 -1.125) 2.273 27.290 ( 3.592 0.000 1.186) 3.782 28.874 ( -0.615 0.000 0.728) 0.953 28.915 ( 1.079 0.000 -0.825) 1.358 29.026 ( 4.562 0.000 3.787) 5.930 29.070 ( -0.546 0.000 0.506) 0.744 29.564 ( 0.885 0.000 0.707) 1.133 29.594 ( 2.401 0.000 5.314) 5.831 30.072 ( 6.942 0.000 0.917) 7.002 30.174 ( -5.466 0.000 3.284) 6.376 30.281 ( 2.899 0.000 -1.607) 3.315 30.380 ( 0.591 0.000 -4.003) 4.046 30.729 ( 3.161 0.000 1.474) 3.488 30.869 ( -0.562 0.000 -3.720) 3.762 30.911 ( -2.170 0.000 -1.887) 2.876 31.048 ( -7.389 0.000 4.054) 8.429 31.453 ( 1.232 0.000 2.794) 3.054 31.533 ( -11.582 0.000 -2.470) 11.842 31.569 ( -5.361 0.000 0.845) 5.428 31.704 ( -2.784 0.000 -2.608) 3.815 32.402 ( -0.784 0.000 1.013) 1.281 32.465 ( -2.504 0.000 -1.535) 2.937 32.862 ( -0.331 0.000 2.771) 2.790 33.036 ( -0.024 0.000 -1.478) 1.478 33.311 ( 1.922 0.000 0.994) 2.164 34.004 ( -16.653 0.000 -33.910) 37.779 ======================= Grid point 87 (35/88) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -0.902 13.925 12.189) 18.528 0.763 ( 5.307 14.031 20.164) 25.132 1.110 ( 1.331 3.793 -0.990) 4.140 1.201 ( -5.117 22.162 14.011) 26.714 1.409 ( -1.635 3.529 -10.176) 10.894 1.561 ( 0.466 2.595 -0.515) 2.686 1.625 ( -0.635 4.420 -1.466) 4.700 1.823 ( 3.771 0.227 -5.787) 6.911 1.885 ( -0.483 -4.528 0.841) 4.631 1.966 ( 0.030 -1.516 -2.150) 2.631 2.156 ( -1.028 2.327 2.827) 3.803 2.268 ( 3.154 -4.980 -3.191) 6.703 2.430 ( -3.973 -6.054 -0.621) 7.268 2.496 ( 1.968 -2.141 -1.976) 3.516 2.540 ( -3.050 2.124 1.870) 4.160 2.594 ( 7.330 1.973 2.186) 7.900 2.922 ( -1.351 -8.240 1.258) 8.444 3.007 ( -2.053 -1.869 3.495) 4.463 3.060 ( 0.961 2.060 4.104) 4.691 3.108 ( -2.888 -5.337 3.228) 6.873 3.248 ( 0.083 -7.751 7.631) 10.877 3.386 ( -4.070 2.796 -1.340) 5.117 3.476 ( -0.156 1.467 0.415) 1.533 3.574 ( 0.225 -1.562 1.889) 2.461 3.694 ( 2.951 -0.647 -2.174) 3.722 3.748 ( 2.356 3.271 -1.867) 4.443 3.842 ( 1.047 -0.774 -8.753) 8.849 3.986 ( 0.036 0.060 -9.656) 9.656 4.090 ( -3.936 2.877 3.444) 5.969 4.159 ( 3.195 -2.312 0.470) 3.972 4.268 ( 1.729 -4.069 1.595) 4.700 4.368 ( 2.366 -0.320 3.320) 4.089 4.409 ( -2.840 8.858 -5.713) 10.917 4.514 ( 0.570 3.486 -3.703) 5.118 4.740 ( 0.652 0.191 6.243) 6.279 4.823 ( 3.876 -0.048 5.572) 6.788 4.933 ( -0.182 -0.809 -7.692) 7.736 5.168 ( 3.847 3.207 -10.955) 12.046 5.396 ( -4.787 -8.621 6.640) 11.889 5.468 ( -2.212 10.608 0.928) 10.876 5.619 ( 2.197 12.486 -7.433) 14.696 5.669 ( 4.385 -1.173 -3.619) 5.805 5.837 ( -4.953 -5.656 14.649) 16.466 6.076 ( -4.054 7.085 0.896) 8.212 6.347 ( -1.523 -0.942 2.405) 2.999 6.395 ( 5.371 -6.039 -2.894) 8.585 6.510 ( 4.764 -2.047 -4.805) 7.069 6.806 ( 2.220 -1.403 -9.415) 9.775 7.068 ( -0.644 1.317 8.010) 8.143 7.099 ( -7.901 0.443 8.820) 11.849 7.529 ( 2.531 0.645 0.586) 2.677 7.606 ( -0.678 -3.546 -2.572) 4.432 7.866 ( -7.469 5.418 0.775) 9.260 7.979 ( 2.945 -3.976 2.529) 5.556 8.086 ( 0.255 7.883 -4.286) 8.976 8.155 ( -0.725 4.798 -1.694) 5.139 8.168 ( 2.900 -3.194 -1.651) 4.619 8.362 ( 1.174 -2.341 -2.021) 3.308 8.723 ( -2.120 -12.558 0.669) 12.753 8.800 ( 1.980 -4.282 -3.531) 5.892 9.379 ( -2.450 7.172 3.788) 8.473 9.570 ( 0.288 13.862 -3.849) 14.390 9.811 ( -0.895 -0.717 1.253) 1.699 9.963 ( 6.475 0.526 -5.263) 8.361 10.078 ( 2.002 -0.681 5.603) 5.989 10.244 ( 3.065 0.802 -0.741) 3.254 10.406 ( 0.674 -2.394 2.154) 3.290 10.481 ( -2.576 -1.153 5.237) 5.949 10.517 ( -4.103 -0.327 -0.508) 4.147 10.639 ( -3.341 4.045 -2.500) 5.811 11.063 ( -0.312 -5.494 -1.144) 5.621 11.071 ( 0.656 -4.737 -1.024) 4.890 11.994 ( -1.447 6.078 1.475) 6.419 12.125 ( 2.504 2.264 -4.333) 5.493 12.439 ( 0.793 -2.368 3.173) 4.037 12.509 ( -0.433 -1.987 -0.409) 2.074 13.923 ( 0.837 -2.486 1.643) 3.095 13.987 ( 0.081 0.150 -0.873) 0.889 14.010 ( -1.130 -0.372 0.136) 1.197 14.063 ( 1.078 0.270 -4.684) 4.814 14.545 ( -0.270 -8.850 6.947) 11.254 14.832 ( -1.173 -10.977 -7.290) 13.229 15.205 ( -1.391 4.328 0.610) 4.587 15.313 ( 2.903 2.197 -4.261) 5.604 15.419 ( -1.004 3.394 -0.381) 3.560 15.479 ( 1.554 1.234 0.126) 1.988 15.507 ( 0.652 1.736 -0.864) 2.046 15.563 ( -1.803 6.444 -3.824) 7.707 15.616 ( -1.141 1.906 1.978) 2.975 15.725 ( 0.622 1.727 -1.450) 2.339 15.913 ( 2.250 -4.026 -0.183) 4.616 16.003 ( -14.317 -1.424 -2.865) 14.670 16.191 ( 15.400 -0.619 3.301) 15.762 16.341 ( -10.362 -1.518 -3.875) 11.166 16.454 ( 4.463 -1.859 1.994) 5.229 16.522 ( 0.722 0.189 -1.182) 1.398 17.481 ( -1.921 1.809 3.165) 4.121 17.688 ( 2.361 1.106 -6.416) 6.926 17.834 ( -2.816 -2.722 2.887) 4.866 17.868 ( -1.209 -0.986 1.542) 2.194 21.162 ( -0.661 6.871 1.797) 7.132 21.219 ( 1.323 4.899 -0.345) 5.086 21.654 ( 0.763 -0.354 1.634) 1.838 21.710 ( -0.951 0.388 -0.970) 1.413 26.976 ( 0.583 -6.281 7.866) 10.083 27.001 ( 1.311 -1.743 3.123) 3.810 27.375 ( 0.291 3.915 1.294) 4.134 27.648 ( -1.035 5.505 -12.978) 14.135 28.861 ( -0.197 -0.924 0.655) 1.150 28.884 ( 0.812 -2.777 0.126) 2.896 29.074 ( -0.475 3.690 1.220) 3.916 29.185 ( -1.899 4.089 -6.017) 7.518 29.618 ( 1.439 1.667 3.508) 4.142 29.777 ( -0.946 -1.779 -0.755) 2.152 30.165 ( -0.780 1.154 2.748) 3.081 30.186 ( -0.808 2.811 3.024) 4.207 30.301 ( 0.773 -0.244 -0.427) 0.916 30.422 ( 0.005 3.413 -2.728) 4.370 30.813 ( -1.205 -0.838 -0.237) 1.487 30.852 ( -0.442 -3.053 -0.707) 3.165 30.895 ( -5.055 -0.353 0.841) 5.137 30.992 ( 19.276 3.610 -5.313) 20.318 31.337 ( -9.507 -0.437 1.645) 9.658 31.402 ( 0.276 0.575 -1.495) 1.626 31.485 ( -0.164 -0.251 3.020) 3.035 31.656 ( 0.124 0.004 -3.432) 3.435 31.986 ( 1.299 -21.966 18.391) 28.678 32.244 ( -0.378 -12.730 -1.598) 12.835 32.912 ( -1.284 3.659 3.489) 5.216 33.076 ( 0.220 6.234 -3.172) 6.998 33.216 ( -2.811 -0.129 7.106) 7.643 33.565 ( 2.230 3.070 -10.951) 11.590 ======================= Grid point 88 (36/88) ======================= q-point: ( 0.10 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 12.074 9.084 8.378) 17.277 1.008 ( 3.715 4.644 7.023) 9.203 1.168 ( 4.413 4.474 1.237) 6.405 1.283 ( 5.961 1.264 -4.227) 7.416 1.461 ( 9.907 8.066 6.764) 14.455 1.563 ( 1.811 0.853 -0.095) 2.004 1.595 ( -0.941 3.893 -2.411) 4.675 1.855 ( 5.138 4.323 -4.187) 7.914 1.916 ( 2.569 -4.304 0.420) 5.030 1.978 ( 2.874 -1.862 -0.935) 3.550 2.159 ( -0.323 2.366 2.099) 3.180 2.321 ( 3.862 -1.571 -1.060) 4.302 2.355 ( -3.113 -3.209 -0.301) 4.481 2.506 ( -0.092 1.382 -1.673) 2.172 2.608 ( 8.557 2.156 2.651) 9.214 2.753 ( 9.567 -4.520 -0.431) 10.590 2.856 ( -3.642 4.246 4.849) 7.403 2.998 ( -2.918 6.205 -9.442) 11.669 3.091 ( 1.990 -6.279 5.801) 8.777 3.190 ( 5.091 -5.512 8.340) 11.219 3.310 ( 0.055 -10.301 7.377) 12.670 3.360 ( 1.428 2.222 1.646) 3.112 3.449 ( -0.417 -2.617 -4.903) 5.573 3.565 ( -1.293 -3.596 -0.069) 3.822 3.702 ( -1.896 -3.184 -8.979) 9.713 3.805 ( 6.590 3.141 -5.899) 9.386 3.867 ( 2.948 2.393 1.679) 4.152 3.955 ( 6.298 2.852 -8.411) 10.888 4.054 ( -1.122 2.856 1.503) 3.417 4.245 ( -3.877 -1.667 0.749) 4.286 4.262 ( 4.958 3.505 -2.910) 6.733 4.413 ( 6.867 -0.123 5.117) 8.565 4.475 ( 5.402 -2.138 1.123) 5.917 4.550 ( 5.132 3.315 -3.496) 7.039 4.775 ( -0.658 3.521 3.452) 4.975 4.892 ( 3.406 -3.450 -6.396) 8.026 4.958 ( 4.670 -0.273 -0.766) 4.740 5.132 ( -0.909 2.028 -6.312) 6.692 5.393 ( -1.100 -4.555 6.676) 8.156 5.450 ( -1.170 5.339 2.248) 5.910 5.519 ( -5.806 10.979 1.155) 12.473 5.703 ( 3.489 -0.206 -6.065) 7.000 5.820 ( -6.798 -4.293 10.126) 12.930 6.062 ( 2.060 6.341 -1.626) 6.863 6.263 ( -6.281 -7.340 2.585) 10.001 6.412 ( -0.184 -3.147 -5.277) 6.146 6.628 ( 8.070 -1.308 -4.129) 9.159 6.731 ( -3.312 3.700 -7.041) 8.616 6.991 ( -9.651 -0.568 11.835) 15.282 7.082 ( -4.069 0.979 5.133) 6.622 7.444 ( -6.672 2.771 -3.201) 7.902 7.546 ( -6.875 3.270 -0.172) 7.615 7.790 ( -2.873 6.380 6.209) 9.354 7.985 ( -1.587 2.156 1.207) 2.937 8.023 ( -3.079 0.350 -3.190) 4.447 8.104 ( -1.754 -7.801 -4.859) 9.356 8.263 ( 3.595 0.579 -0.529) 3.680 8.366 ( 0.927 -0.319 -1.111) 1.482 8.703 ( -0.200 -12.528 0.339) 12.534 8.829 ( 3.206 -4.179 -2.356) 5.770 9.352 ( -3.176 6.405 3.832) 8.112 9.536 ( -0.252 14.234 -3.344) 14.623 9.820 ( 0.646 -0.010 -0.932) 1.134 10.023 ( 3.503 1.822 -3.462) 5.251 10.144 ( 0.507 -1.948 3.800) 4.300 10.249 ( -5.116 0.195 -0.624) 5.158 10.393 ( 0.999 1.204 -1.397) 2.098 10.422 ( -1.088 -0.991 1.332) 1.985 10.564 ( 2.086 2.014 -5.087) 5.855 10.627 ( 2.867 -1.219 8.376) 8.937 11.048 ( 0.827 -4.707 -1.735) 5.085 11.093 ( 1.149 -7.457 1.139) 7.631 12.008 ( 1.963 5.600 0.838) 5.993 12.169 ( 4.851 2.424 -3.581) 6.499 12.472 ( -0.656 -3.119 0.876) 3.305 12.493 ( -0.018 -1.781 0.276) 1.803 13.924 ( -2.890 -0.427 1.442) 3.258 13.953 ( -1.606 -0.871 -1.436) 2.324 13.979 ( -1.654 -1.237 -0.187) 2.074 14.053 ( 0.815 -0.762 -1.848) 2.158 14.577 ( -2.139 -8.030 6.729) 10.692 14.713 ( -4.361 -8.455 -5.386) 10.932 15.144 ( -5.157 1.851 0.321) 5.488 15.253 ( -5.513 10.688 -0.028) 12.026 15.395 ( -1.386 -3.447 1.801) 4.129 15.462 ( -2.608 1.457 -0.122) 2.990 15.526 ( 0.439 5.340 1.855) 5.670 15.565 ( 3.264 3.687 -0.456) 4.945 15.585 ( -2.759 0.913 1.507) 3.274 15.678 ( -3.101 2.682 -1.311) 4.304 15.785 ( -1.297 2.829 0.275) 3.124 15.915 ( -6.473 -0.087 -2.737) 7.028 16.237 ( 2.948 -2.552 0.841) 3.989 16.337 ( -1.932 -0.160 -0.271) 1.958 16.574 ( 7.285 -4.094 1.395) 8.472 16.641 ( 9.447 -3.196 -3.555) 10.588 17.479 ( 0.004 0.828 2.830) 2.948 17.662 ( -0.150 0.616 -5.829) 5.864 17.807 ( -3.192 -2.150 3.535) 5.226 17.838 ( -3.282 -0.944 1.890) 3.903 21.156 ( -0.782 5.987 0.977) 6.117 21.221 ( -0.437 6.192 0.296) 6.214 21.654 ( -3.170 0.116 -1.954) 3.726 21.657 ( -1.782 -0.767 1.971) 2.766 27.004 ( -1.643 -3.718 2.631) 4.842 27.034 ( -0.183 -2.121 2.701) 3.440 27.330 ( -6.837 4.313 2.514) 8.466 27.382 ( -13.082 6.340 -5.287) 15.469 28.866 ( 0.261 -0.987 0.283) 1.059 28.899 ( 0.662 -2.329 0.067) 2.422 29.063 ( -1.891 3.686 1.068) 4.278 29.087 ( -3.616 3.955 -0.908) 5.435 29.654 ( -1.787 1.838 2.265) 3.421 29.662 ( -4.347 1.917 0.715) 4.804 30.129 ( -3.935 0.692 1.988) 4.462 30.152 ( -4.350 1.619 0.188) 4.645 30.276 ( -2.318 1.687 1.807) 3.389 30.406 ( 2.388 3.540 -3.567) 5.564 30.759 ( -3.154 -1.212 1.244) 3.601 30.816 ( -1.583 -0.942 -1.263) 2.234 30.934 ( 4.698 -0.061 -1.886) 5.062 31.162 ( 1.999 -1.679 -0.571) 2.673 31.347 ( 3.750 -3.420 1.444) 5.276 31.526 ( 6.392 -1.481 2.068) 6.880 31.582 ( 10.513 1.957 0.769) 10.722 31.665 ( 3.587 0.776 -4.153) 5.542 32.250 ( 3.156 -12.190 -0.282) 12.595 32.284 ( 13.993 -15.032 0.740) 20.550 32.923 ( -0.559 2.775 5.114) 5.845 33.059 ( -0.132 5.332 -3.410) 6.331 33.267 ( 1.325 -4.091 6.454) 7.755 33.613 ( 10.753 -1.183 -12.418) 16.469 ======================= Grid point 89 (37/88) ======================= q-point: ( 0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 2.274 6.321 -3.131) 7.412 1.164 ( 10.049 -2.128 2.840) 10.657 1.226 ( 3.656 -1.149 -1.253) 4.032 1.339 ( 1.719 4.465 1.653) 5.062 1.545 ( -1.234 1.983 -2.071) 3.122 1.560 ( 2.063 1.593 -1.408) 2.963 1.771 ( 9.482 0.893 1.731) 9.680 1.904 ( 1.883 -0.057 -0.815) 2.052 2.028 ( 6.695 -3.123 -0.182) 7.390 2.079 ( 8.417 0.975 0.299) 8.478 2.188 ( 0.986 3.273 2.577) 4.281 2.304 ( -2.262 -2.968 -0.007) 3.732 2.377 ( 1.889 -1.546 -1.324) 2.777 2.489 ( -1.129 6.879 2.931) 7.562 2.747 ( 1.693 5.199 -9.792) 11.215 2.826 ( 2.071 -7.051 -0.882) 7.402 2.894 ( -0.933 8.279 10.272) 13.226 3.008 ( 14.611 -1.473 -3.242) 15.039 3.203 ( 5.516 -3.040 4.045) 7.486 3.339 ( -1.979 -10.780 -3.867) 11.623 3.377 ( 1.244 -7.334 -8.002) 10.926 3.383 ( 10.153 -4.879 3.768) 11.878 3.455 ( 4.692 3.374 4.613) 7.394 3.562 ( 3.427 2.205 -0.069) 4.076 3.639 ( 1.696 -2.276 -2.272) 3.636 3.814 ( 0.973 5.440 -5.900) 8.084 3.901 ( 0.421 3.575 1.766) 4.009 4.064 ( 0.450 3.931 1.359) 4.183 4.125 ( 11.305 -3.034 -0.704) 11.726 4.162 ( -0.722 4.072 -2.306) 4.735 4.345 ( 2.954 3.287 -2.549) 5.102 4.552 ( 2.960 -0.267 0.524) 3.018 4.583 ( 6.534 -0.445 0.387) 6.561 4.667 ( 6.927 0.428 2.916) 7.528 4.756 ( -0.823 -1.693 -6.741) 6.998 4.917 ( 3.157 -1.275 1.297) 3.644 5.049 ( 6.825 2.395 -5.129) 8.867 5.053 ( -5.118 4.406 3.742) 7.720 5.349 ( -4.500 -2.764 2.633) 5.902 5.446 ( -1.952 -2.530 2.642) 4.146 5.568 ( 4.156 -1.293 3.590) 5.642 5.715 ( 3.458 5.620 -5.171) 8.383 5.774 ( -4.793 -3.852 8.033) 10.116 6.096 ( 3.362 4.745 -3.356) 6.714 6.182 ( -6.062 -5.197 5.907) 9.933 6.351 ( 1.569 -1.477 -11.513) 11.713 6.583 ( -8.256 5.201 -0.844) 9.794 6.676 ( -0.801 -2.677 -3.512) 4.488 6.927 ( -4.028 -0.097 5.203) 6.581 7.000 ( -8.967 3.305 4.791) 10.690 7.301 ( -5.572 4.672 -3.168) 7.932 7.416 ( -5.390 8.675 2.484) 10.511 7.773 ( -3.453 2.613 2.102) 4.814 7.910 ( -5.009 -2.346 -0.596) 5.563 7.953 ( -5.070 2.301 -0.672) 5.609 8.058 ( -0.411 -7.519 -0.360) 7.539 8.286 ( 1.685 -0.831 -1.626) 2.484 8.390 ( 1.127 2.191 1.018) 2.666 8.710 ( -0.192 -11.241 1.322) 11.320 8.865 ( 1.765 -3.019 -2.074) 4.066 9.340 ( -1.347 4.834 5.423) 7.389 9.528 ( 1.848 12.434 -2.354) 12.789 9.807 ( -0.431 0.110 -2.872) 2.906 10.050 ( 1.694 1.245 -1.290) 2.467 10.096 ( -7.182 1.161 0.309) 7.282 10.182 ( -0.498 -1.511 2.134) 2.662 10.383 ( -3.389 -0.717 0.744) 3.543 10.444 ( 5.096 0.262 -6.491) 8.257 10.518 ( -0.442 2.029 -6.299) 6.633 10.791 ( 3.905 -2.947 10.577) 11.654 11.071 ( 2.340 -4.563 -0.764) 5.184 11.134 ( 1.618 -7.518 2.671) 8.141 12.073 ( 4.031 3.276 0.541) 5.222 12.242 ( 5.092 3.174 -2.107) 6.360 12.439 ( -1.906 -2.884 -0.359) 3.476 12.502 ( 0.005 -1.513 -0.154) 1.521 13.859 ( -3.825 -0.082 0.821) 3.913 13.908 ( -1.464 0.348 -2.697) 3.089 13.958 ( -1.531 -3.827 1.690) 4.455 14.064 ( 1.342 -1.783 -0.672) 2.331 14.576 ( -2.066 -5.034 4.265) 6.914 14.620 ( -1.812 -6.051 -3.181) 7.072 15.036 ( -6.425 4.574 1.481) 8.024 15.163 ( -5.433 8.233 0.995) 9.914 15.364 ( -2.374 -3.207 1.825) 4.388 15.450 ( 0.599 -0.975 0.979) 1.506 15.548 ( -1.488 0.129 0.679) 1.641 15.565 ( 1.111 3.917 2.387) 4.720 15.598 ( 0.129 3.310 -0.856) 3.421 15.633 ( -0.584 0.209 -2.487) 2.563 15.787 ( -1.389 2.518 -0.443) 2.909 15.799 ( 0.761 4.476 -2.871) 5.372 16.255 ( -1.575 1.413 -0.684) 2.224 16.379 ( 4.247 -3.228 3.616) 6.444 16.675 ( 3.313 -3.483 0.540) 4.837 16.745 ( 3.339 -4.686 -1.679) 5.994 17.518 ( 1.947 -0.643 1.241) 2.396 17.596 ( -1.994 0.425 -5.100) 5.493 17.760 ( -4.408 -1.908 2.932) 5.628 17.780 ( -4.360 -1.138 2.094) 4.969 21.157 ( 0.521 5.055 0.156) 5.084 21.219 ( -0.108 6.016 0.750) 6.064 21.574 ( -3.213 -0.742 -2.710) 4.268 21.624 ( -3.086 -1.169 1.651) 3.690 26.960 ( -3.322 0.124 -2.614) 4.229 27.004 ( -3.634 -2.469 -2.929) 5.280 27.177 ( -6.403 4.213 1.430) 7.796 27.207 ( -6.864 3.833 3.883) 8.768 28.874 ( 0.658 -1.042 -0.378) 1.289 28.908 ( 0.422 -1.563 -0.204) 1.632 29.015 ( -2.458 3.068 -0.203) 3.937 29.049 ( -2.093 2.360 2.005) 3.737 29.593 ( -2.041 2.058 -0.623) 2.964 29.651 ( -0.388 1.376 0.347) 1.471 30.014 ( -6.623 0.464 -4.949) 8.281 30.074 ( -5.707 -1.193 4.529) 7.383 30.284 ( 0.988 3.615 3.077) 4.849 30.470 ( 6.781 3.379 -2.574) 8.002 30.746 ( -0.135 0.455 3.149) 3.184 30.783 ( -1.058 0.576 -0.718) 1.402 30.970 ( 0.997 -0.775 -3.172) 3.414 31.218 ( 3.384 -2.801 0.984) 4.502 31.346 ( -4.203 -2.168 4.660) 6.640 31.636 ( 0.803 1.489 -7.360) 7.552 31.690 ( 6.070 -1.308 1.236) 6.331 31.782 ( 6.660 2.169 0.229) 7.008 32.336 ( 5.919 -9.518 1.979) 11.381 32.506 ( 11.091 -3.200 -3.082) 11.947 32.946 ( -1.531 1.914 4.809) 5.397 33.012 ( -1.577 4.328 -4.219) 6.246 33.388 ( 4.332 -9.671 12.150) 16.122 33.726 ( 11.008 -5.601 -12.854) 17.826 ======================= Grid point 90 (38/88) ======================= q-point: ( 0.30 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 6.517 4.548 0.012) 7.946 1.281 ( 3.423 -2.269 -0.213) 4.112 1.345 ( 5.969 -0.249 -0.733) 6.019 1.372 ( 0.567 1.464 1.199) 1.976 1.540 ( 2.135 1.530 -0.009) 2.626 1.600 ( 3.263 3.336 -1.158) 4.809 1.875 ( 2.697 -0.672 0.000) 2.780 1.917 ( -0.444 -0.259 0.329) 0.610 2.101 ( 0.764 -5.079 -1.059) 5.244 2.155 ( -4.123 2.831 -1.678) 5.275 2.183 ( -0.714 2.100 -2.937) 3.680 2.271 ( 4.116 -1.590 -4.088) 6.016 2.369 ( -1.986 -2.136 1.933) 3.499 2.559 ( 4.504 10.233 3.375) 11.678 2.687 ( 0.572 4.132 -4.666) 6.259 2.866 ( 0.311 -11.374 2.542) 11.659 2.972 ( -0.228 6.283 10.438) 12.185 3.205 ( -3.104 -3.342 -4.824) 6.639 3.243 ( 8.986 -2.730 -2.702) 9.773 3.361 ( 8.603 -2.433 0.697) 8.968 3.404 ( 5.587 -9.832 -5.318) 12.497 3.513 ( -0.128 6.718 2.679) 7.233 3.617 ( 10.977 -3.539 2.036) 11.712 3.696 ( 4.503 -1.022 -0.076) 4.618 3.726 ( 7.854 2.867 -0.647) 8.386 3.843 ( 8.417 2.054 -1.101) 8.734 3.911 ( -1.707 3.416 3.320) 5.060 4.069 ( 0.856 8.463 -1.847) 8.705 4.183 ( 3.907 2.645 -0.789) 4.784 4.285 ( 5.047 0.385 0.780) 5.121 4.386 ( 4.139 2.018 -2.561) 5.269 4.593 ( 0.966 -5.233 -4.888) 7.226 4.634 ( -0.411 0.359 2.245) 2.310 4.711 ( 4.244 -1.751 -5.650) 7.280 4.807 ( 4.864 3.444 -1.269) 6.093 4.970 ( -3.863 2.836 6.632) 8.183 5.026 ( 3.498 -0.620 0.135) 3.555 5.142 ( 4.796 0.491 -2.932) 5.642 5.308 ( -0.276 -6.185 -2.021) 6.512 5.402 ( -5.234 -2.067 6.482) 8.584 5.628 ( 1.816 -0.859 -0.537) 2.080 5.753 ( -1.763 1.423 4.759) 5.271 5.809 ( 5.674 -1.968 1.219) 6.128 6.092 ( -5.899 -2.105 4.719) 7.842 6.149 ( 2.308 1.841 -2.299) 3.742 6.317 ( 4.448 1.513 -11.459) 12.385 6.453 ( -4.900 2.766 1.079) 5.729 6.566 ( -6.829 -2.525 -1.932) 7.532 6.829 ( -11.389 7.492 4.582) 14.381 6.921 ( -1.202 -1.056 3.044) 3.439 7.193 ( -3.838 5.142 -1.902) 6.692 7.404 ( 1.214 7.772 2.793) 8.347 7.683 ( -5.075 3.227 -4.011) 7.229 7.809 ( -5.512 -5.443 -3.134) 8.357 7.857 ( -5.247 1.337 5.762) 7.907 8.031 ( -2.775 -3.965 -0.237) 4.846 8.324 ( 3.047 -0.342 -0.770) 3.161 8.428 ( 2.393 2.186 0.667) 3.309 8.712 ( -1.242 -8.575 2.572) 9.038 8.851 ( -0.945 -1.488 -3.129) 3.591 9.387 ( 0.821 2.910 7.109) 7.725 9.566 ( 3.057 9.840 -0.402) 10.312 9.764 ( -1.027 -0.814 -4.222) 4.421 9.969 ( -5.618 1.860 -1.609) 6.133 10.081 ( 1.761 -0.556 1.202) 2.203 10.188 ( -0.949 -1.137 2.347) 2.775 10.319 ( -4.045 -0.297 1.914) 4.485 10.452 ( 1.735 1.460 -7.824) 8.146 10.494 ( 2.848 -0.014 -4.861) 5.633 10.899 ( 0.518 -2.998 6.052) 6.774 11.111 ( 1.762 -5.244 0.455) 5.551 11.187 ( 1.969 -6.343 1.602) 6.832 12.150 ( 3.674 1.053 -0.361) 3.839 12.320 ( 4.024 2.999 -0.541) 5.047 12.408 ( -1.347 -2.911 0.660) 3.275 12.491 ( -0.369 -0.085 -1.050) 1.116 13.805 ( -2.484 -0.582 0.721) 2.651 13.865 ( -0.789 0.225 -2.776) 2.895 13.945 ( -1.401 -3.648 2.410) 4.591 14.089 ( 1.570 -2.447 -0.504) 2.950 14.570 ( 0.064 -3.067 -0.093) 3.069 14.599 ( 0.461 -3.462 0.208) 3.499 14.935 ( -5.292 4.592 1.219) 7.112 15.052 ( -6.291 6.172 -0.530) 8.829 15.349 ( -0.916 -1.667 1.697) 2.549 15.467 ( -0.599 1.528 0.990) 1.916 15.526 ( 0.378 -0.547 -2.474) 2.562 15.579 ( 0.457 1.811 -0.566) 1.952 15.613 ( 1.247 0.748 -0.286) 1.482 15.633 ( 1.279 0.078 3.570) 3.793 15.775 ( 0.182 2.103 -0.524) 2.175 15.808 ( 0.319 2.275 -0.997) 2.504 16.253 ( 2.243 4.154 -0.608) 4.759 16.451 ( 1.520 -3.174 0.671) 3.583 16.719 ( 0.837 -3.300 0.472) 3.437 16.749 ( -1.713 -4.466 -0.199) 4.787 17.520 ( -1.364 0.170 -3.073) 3.367 17.566 ( 1.581 -0.869 0.198) 1.815 17.693 ( -4.465 -1.717 1.735) 5.089 17.709 ( -4.484 -1.241 1.301) 4.831 21.180 ( 1.877 3.606 -0.136) 4.068 21.229 ( 0.522 5.066 0.823) 5.159 21.502 ( -2.147 -1.316 -2.486) 3.538 21.570 ( -3.805 -1.034 1.324) 4.160 26.853 ( -3.710 1.702 -3.292) 5.244 26.912 ( -2.826 -0.521 -3.102) 4.229 27.105 ( -4.007 2.962 2.487) 5.569 27.158 ( -2.272 0.856 2.746) 3.665 28.885 ( 0.996 -0.985 -0.940) 1.687 28.912 ( 0.240 -0.893 -0.297) 0.971 28.978 ( -1.395 2.446 0.030) 2.816 29.027 ( -1.984 1.490 1.864) 3.103 29.564 ( -0.634 1.152 -0.337) 1.358 29.656 ( 1.042 0.130 -1.148) 1.556 29.856 ( -5.806 0.267 -3.716) 6.899 29.991 ( -6.475 -1.779 3.872) 7.751 30.346 ( 3.058 3.622 2.420) 5.323 30.600 ( 8.067 1.744 -1.689) 8.424 30.749 ( -1.956 0.541 0.829) 2.192 30.808 ( 2.258 4.131 4.046) 6.207 30.934 ( -1.314 -1.326 -2.803) 3.368 31.237 ( -1.934 -0.594 -1.961) 2.817 31.345 ( 0.027 -3.165 7.880) 8.492 31.533 ( -4.560 3.123 -8.612) 10.234 31.753 ( 0.592 -1.566 -0.278) 1.697 31.865 ( 2.342 5.356 0.135) 5.847 32.494 ( 7.824 -5.788 4.466) 10.708 32.659 ( 8.128 0.669 -5.466) 9.817 32.941 ( -1.695 3.551 -5.518) 6.777 32.963 ( -0.035 0.783 5.349) 5.407 33.565 ( 3.091 -13.662 11.964) 18.421 33.825 ( 8.724 -6.452 -9.526) 14.439 ======================= Grid point 91 (39/88) ======================= q-point: ( 0.40 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 6.541 2.122 3.634) 7.778 1.321 ( 1.242 0.387 -0.482) 1.388 1.375 ( -1.175 0.028 0.585) 1.313 1.398 ( 1.103 0.263 -0.735) 1.351 1.619 ( 4.735 1.909 0.539) 5.134 1.656 ( 3.177 3.596 -0.891) 4.880 1.896 ( -0.099 0.279 -1.195) 1.231 1.906 ( 0.271 1.834 0.442) 1.906 1.989 ( -5.703 -2.260 -1.653) 6.353 2.082 ( -2.383 -5.326 -1.582) 6.046 2.209 ( 1.286 1.114 1.383) 2.193 2.333 ( 7.074 4.666 -4.040) 9.389 2.373 ( 1.839 -4.075 0.258) 4.478 2.616 ( -6.128 3.727 1.026) 7.246 2.652 ( 3.136 6.302 -0.894) 7.095 2.925 ( 1.798 -4.284 6.574) 8.050 3.018 ( -2.576 2.323 7.023) 7.833 3.152 ( -1.107 -2.652 1.089) 3.073 3.321 ( 2.378 -2.915 -1.419) 4.021 3.390 ( -2.102 -1.709 -0.538) 2.762 3.524 ( 0.781 -0.624 0.801) 1.281 3.569 ( 8.715 -1.921 -2.892) 9.381 3.776 ( 5.728 -1.701 -1.198) 6.094 3.789 ( 4.146 -0.656 1.213) 4.370 3.823 ( 1.072 2.042 2.808) 3.634 3.904 ( 0.912 2.411 2.946) 3.915 4.016 ( 5.363 5.645 1.943) 8.025 4.097 ( 4.036 7.870 -3.323) 9.448 4.260 ( 5.440 3.028 -4.580) 7.729 4.386 ( 4.598 3.356 0.735) 5.740 4.417 ( 1.603 1.544 -1.031) 2.453 4.571 ( 2.743 -5.341 -2.258) 6.415 4.642 ( -1.089 -1.405 -2.075) 2.732 4.739 ( 2.050 -1.797 -2.666) 3.813 4.846 ( -0.840 2.723 0.711) 2.937 4.929 ( -1.197 0.209 -1.026) 1.590 5.089 ( 2.879 -4.248 -1.301) 5.294 5.170 ( 0.400 -2.892 -1.398) 3.237 5.298 ( -0.037 -3.915 -2.921) 4.885 5.376 ( -2.992 1.338 5.739) 6.609 5.666 ( 2.717 -0.251 -1.096) 2.940 5.748 ( -2.597 0.575 5.397) 6.017 5.903 ( 0.884 0.754 1.981) 2.297 6.026 ( -1.251 -2.854 0.701) 3.194 6.174 ( 2.409 0.526 -3.233) 4.066 6.354 ( 6.168 4.081 -5.530) 9.234 6.403 ( -1.443 1.922 -1.854) 3.035 6.445 ( -5.310 -4.197 3.003) 7.405 6.689 ( -7.309 7.462 8.218) 13.290 6.914 ( -1.587 -1.048 1.456) 2.395 7.128 ( -1.493 4.854 -1.904) 5.424 7.467 ( 1.916 1.598 -0.566) 2.558 7.550 ( -2.713 6.813 -4.776) 8.751 7.680 ( -6.518 -1.676 0.019) 6.730 7.822 ( -2.876 -1.010 3.567) 4.693 7.961 ( -3.239 -1.096 -1.537) 3.748 8.383 ( 3.687 -0.393 -0.514) 3.743 8.478 ( 1.803 1.685 0.600) 2.539 8.697 ( -2.456 -6.317 2.440) 7.204 8.802 ( -0.467 -1.229 -4.319) 4.515 9.454 ( -0.249 0.985 7.038) 7.111 9.624 ( 2.409 7.861 1.402) 8.341 9.719 ( 0.003 -1.430 -4.108) 4.350 9.865 ( -3.231 2.019 -3.096) 4.909 10.134 ( 2.002 -0.592 3.165) 3.792 10.183 ( -1.778 -0.738 3.161) 3.701 10.273 ( -3.208 -0.390 3.943) 5.099 10.435 ( 2.030 2.260 -4.987) 5.840 10.522 ( 4.196 -1.752 -4.973) 6.738 10.898 ( -2.728 -2.613 -1.071) 3.926 11.137 ( 0.262 -6.745 1.390) 6.892 11.223 ( 1.319 -5.190 -0.494) 5.378 12.203 ( 2.757 -0.011 -0.933) 2.910 12.350 ( -1.209 -0.730 -0.453) 1.483 12.420 ( 1.923 0.456 1.556) 2.515 12.481 ( 0.057 1.103 -0.336) 1.154 13.776 ( -1.290 -0.544 0.772) 1.599 13.837 ( 0.101 -0.293 -2.701) 2.719 13.945 ( -0.935 -3.083 3.361) 4.655 14.107 ( 0.933 -3.053 -1.157) 3.396 14.588 ( 2.005 -1.082 -0.712) 2.387 14.618 ( 0.629 -0.599 0.526) 1.016 14.864 ( -2.637 2.569 0.450) 3.709 14.937 ( -5.015 4.077 -0.764) 6.508 15.347 ( -0.714 0.693 1.434) 1.745 15.438 ( -2.092 4.055 -0.220) 4.568 15.533 ( 2.295 -1.753 -2.049) 3.541 15.606 ( 1.817 -0.006 0.431) 1.867 15.641 ( 1.374 0.046 0.172) 1.385 15.687 ( 1.106 -0.214 2.907) 3.118 15.765 ( -1.413 0.589 0.412) 1.586 15.790 ( -0.584 1.405 -1.885) 2.423 16.323 ( 4.621 3.816 0.549) 6.018 16.465 ( 0.793 -1.779 -1.291) 2.337 16.685 ( -3.637 -4.009 -0.142) 5.414 16.723 ( -1.251 -2.763 0.299) 3.048 17.493 ( 0.001 0.026 -0.511) 0.511 17.593 ( 0.984 -1.242 0.125) 1.589 17.626 ( -3.363 -1.462 0.443) 3.694 17.642 ( -2.921 -1.125 0.141) 3.133 21.215 ( 1.220 2.493 0.561) 2.831 21.251 ( 1.492 3.686 -0.018) 3.977 21.462 ( -0.319 -1.351 -1.531) 2.067 21.504 ( -3.869 -0.506 0.844) 3.992 26.804 ( -0.613 1.462 0.769) 1.762 26.863 ( -0.729 0.118 -0.228) 0.773 27.052 ( -2.742 1.953 -0.121) 3.369 27.130 ( -1.764 0.449 -1.021) 2.087 28.898 ( 1.324 -0.719 -1.115) 1.875 28.912 ( -0.146 -0.472 -0.180) 0.526 28.963 ( -0.342 1.900 0.139) 1.935 29.002 ( -1.889 1.138 1.098) 2.464 29.564 ( 0.208 0.237 1.007) 1.056 29.668 ( 1.687 -1.221 -2.142) 2.987 29.762 ( -2.051 0.357 -0.826) 2.240 29.896 ( -6.057 -1.883 2.374) 6.773 30.428 ( 3.761 3.241 1.827) 5.290 30.703 ( -2.319 1.247 1.214) 2.900 30.726 ( 4.335 0.201 -2.237) 4.883 30.807 ( -1.900 1.674 -1.759) 3.083 30.968 ( 2.157 1.616 4.211) 4.999 31.202 ( 1.537 3.471 -0.808) 3.881 31.358 ( -6.342 2.220 -4.758) 8.233 31.408 ( -0.279 -3.000 4.383) 5.318 31.743 ( -0.872 0.117 0.216) 0.906 31.878 ( -0.235 7.314 -1.208) 7.416 32.661 ( 4.290 1.015 2.933) 5.295 32.720 ( 4.024 -2.407 -3.683) 5.962 32.879 ( -0.168 1.430 -4.961) 5.166 33.024 ( 2.189 -0.212 3.023) 3.738 33.663 ( -1.808 -14.223 9.721) 17.322 33.904 ( 6.788 -6.953 -7.664) 12.376 ======================= Grid point 92 (40/88) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -0.974 1.692 2.213) 2.951 1.329 ( 0.203 1.385 -0.337) 1.440 1.340 ( -0.932 0.048 1.369) 1.657 1.409 ( 1.256 0.680 -1.216) 1.876 1.666 ( -1.418 3.569 0.306) 3.852 1.689 ( 0.737 3.542 -0.550) 3.659 1.889 ( -0.943 0.453 -0.248) 1.075 1.916 ( 2.618 0.860 -1.234) 3.019 1.967 ( 2.563 -4.873 1.992) 5.855 2.030 ( -0.914 -5.453 -1.164) 5.650 2.214 ( -3.038 0.087 2.592) 3.995 2.420 ( 3.597 0.111 -4.230) 5.553 2.470 ( -5.999 5.039 0.835) 7.879 2.509 ( 10.057 -0.045 -0.660) 10.079 2.730 ( 4.256 5.156 3.619) 7.602 2.898 ( -8.189 6.089 0.615) 10.223 3.018 ( -4.113 -4.185 9.091) 10.820 3.210 ( 3.902 -5.235 5.630) 8.621 3.307 ( -1.051 0.987 -2.120) 2.563 3.364 ( -0.671 0.153 0.542) 0.876 3.521 ( -0.491 -3.732 -0.225) 3.771 3.660 ( 2.967 -3.094 -2.968) 5.214 3.807 ( -2.453 4.320 3.313) 5.971 3.831 ( -1.720 1.873 0.693) 2.636 3.855 ( 2.789 -0.297 0.493) 2.848 3.961 ( 0.208 -1.638 1.624) 2.317 4.057 ( -1.043 4.502 2.466) 5.238 4.140 ( 1.540 6.941 -1.627) 7.294 4.290 ( 3.432 4.744 -7.003) 9.129 4.406 ( -0.650 0.117 -1.922) 2.032 4.478 ( -0.779 2.685 0.598) 2.859 4.553 ( -1.019 2.341 -2.803) 3.792 4.684 ( 6.694 -3.759 0.433) 7.690 4.733 ( -1.835 -4.422 -0.450) 4.809 4.790 ( -4.295 0.156 2.440) 4.942 4.939 ( 3.002 1.081 -5.494) 6.354 5.120 ( 1.282 -9.131 -2.316) 9.507 5.145 ( -1.838 -2.929 -0.067) 3.459 5.260 ( -1.667 0.527 0.028) 1.748 5.345 ( -0.886 0.621 -3.695) 3.850 5.704 ( -0.271 -0.405 3.601) 3.634 5.736 ( -1.553 2.539 3.282) 4.431 5.865 ( -3.807 0.810 0.876) 3.989 6.067 ( 2.003 0.817 1.430) 2.593 6.194 ( 3.355 0.056 -4.365) 5.505 6.336 ( -1.395 0.217 -3.488) 3.763 6.398 ( -2.418 -2.876 1.395) 4.008 6.451 ( 3.668 3.234 1.323) 5.066 6.713 ( 0.969 3.229 10.960) 11.467 6.892 ( -1.025 -0.846 0.422) 1.395 7.113 ( 1.130 5.367 -0.695) 5.528 7.360 ( -4.065 4.041 -8.709) 10.426 7.576 ( -4.321 1.154 0.772) 4.538 7.621 ( 6.993 1.712 0.033) 7.199 7.806 ( -1.040 -0.966 2.466) 2.846 7.913 ( 0.052 -0.283 -2.119) 2.139 8.440 ( 1.861 0.374 0.166) 1.906 8.486 ( -1.310 1.387 0.052) 1.909 8.661 ( -2.307 -4.667 1.284) 5.362 8.789 ( 2.711 -2.121 -4.140) 5.384 9.469 ( -3.544 -1.239 6.128) 7.186 9.666 ( 0.401 7.378 2.413) 7.773 9.709 ( 1.999 -1.208 -3.086) 3.871 9.808 ( 0.034 2.849 -4.269) 5.132 10.177 ( -1.267 -0.661 3.510) 3.790 10.200 ( 1.065 0.590 4.553) 4.713 10.256 ( -1.651 -0.667 4.408) 4.754 10.453 ( 3.278 1.662 -3.477) 5.060 10.578 ( 4.452 -2.764 -1.246) 5.386 10.787 ( -5.067 -1.933 -7.994) 9.659 11.141 ( -1.203 -7.828 1.916) 8.148 11.226 ( -0.057 -4.677 -1.640) 4.956 12.249 ( 2.361 -0.827 0.079) 2.503 12.305 ( -1.552 -0.728 -2.206) 2.794 12.434 ( -3.011 1.523 2.957) 4.487 12.507 ( 2.895 0.812 -0.479) 3.045 13.765 ( -0.658 -0.060 0.789) 1.029 13.829 ( 1.207 -1.251 -2.494) 3.040 13.962 ( -0.440 -2.648 4.219) 5.001 14.104 ( 0.056 -3.311 -2.136) 3.941 14.607 ( -1.247 0.846 -0.168) 1.516 14.623 ( 0.766 1.172 -0.190) 1.414 14.850 ( -0.316 1.298 0.497) 1.425 14.874 ( 0.591 2.285 -0.819) 2.499 15.346 ( -0.400 1.361 1.432) 2.016 15.406 ( -0.488 3.341 -1.086) 3.546 15.574 ( 2.192 -1.794 0.367) 2.857 15.632 ( -0.983 0.691 -0.751) 1.417 15.640 ( 0.154 -1.249 0.401) 1.321 15.709 ( 0.092 -0.076 -1.186) 1.192 15.721 ( -3.592 0.648 2.201) 4.262 15.798 ( 2.606 1.880 -0.801) 3.312 16.393 ( 0.664 2.141 1.303) 2.593 16.464 ( -0.119 -0.834 -1.592) 1.801 16.641 ( -0.161 -3.014 1.019) 3.186 16.698 ( -0.451 -2.734 -1.202) 3.021 17.510 ( 1.443 -0.251 1.348) 1.991 17.575 ( -1.455 -1.102 -1.254) 2.214 17.609 ( 0.642 -1.360 0.113) 1.508 17.611 ( -0.648 -1.256 0.092) 1.416 21.224 ( -0.888 2.920 1.124) 3.253 21.275 ( 0.848 1.941 -0.870) 2.290 21.447 ( -1.750 -0.400 0.376) 1.834 21.473 ( 1.909 -0.890 -0.619) 2.195 26.831 ( 1.436 1.311 3.714) 4.192 26.887 ( 2.062 0.085 2.790) 3.471 27.002 ( -1.313 1.648 -2.439) 3.223 27.073 ( -2.061 0.468 -4.461) 4.936 28.902 ( -0.632 -0.392 -0.394) 0.842 28.917 ( 1.439 -0.463 -1.016) 1.821 28.963 ( -0.616 1.428 0.855) 1.775 28.978 ( -0.458 1.290 0.154) 1.378 29.578 ( -0.142 0.036 1.892) 1.897 29.689 ( 2.072 -1.446 -2.772) 3.751 29.771 ( 2.798 -0.686 1.739) 3.365 29.808 ( -4.031 -1.439 0.628) 4.326 30.500 ( 1.320 3.114 2.165) 4.016 30.648 ( -3.551 0.133 2.294) 4.230 30.698 ( -1.684 2.933 -4.669) 5.765 30.844 ( 3.753 -1.775 -2.826) 5.022 30.977 ( -2.816 3.491 4.480) 6.339 31.185 ( -2.385 6.240 -5.009) 8.350 31.364 ( 5.772 -1.425 4.510) 7.463 31.418 ( 0.129 -0.901 2.305) 2.478 31.739 ( -0.187 1.426 1.363) 1.981 31.853 ( -0.115 7.184 -3.029) 7.797 32.640 ( -3.475 2.142 -1.439) 4.328 32.786 ( 2.733 4.412 -5.851) 7.820 32.885 ( 1.552 -6.339 4.319) 7.826 33.063 ( 0.734 -0.521 -0.765) 1.181 33.638 ( -8.000 -12.765 7.798) 16.963 33.969 ( 5.807 -8.388 -5.867) 11.769 ======================= Grid point 93 (41/88) ======================= q-point: (-0.40 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -4.751 2.061 4.161) 6.644 1.307 ( -1.995 1.453 -1.091) 2.699 1.376 ( 1.437 -0.978 0.230) 1.754 1.419 ( -0.120 0.471 -0.473) 0.679 1.597 ( -4.734 2.127 0.162) 5.192 1.669 ( -2.016 3.362 -0.539) 3.957 1.872 ( -0.795 0.678 -0.712) 1.264 1.931 ( -0.746 -0.338 0.093) 0.825 2.042 ( 3.212 -3.059 -2.098) 4.907 2.075 ( 4.993 -3.123 0.227) 5.894 2.158 ( -1.983 -4.031 -0.273) 4.500 2.321 ( -6.094 2.602 0.393) 6.638 2.454 ( -0.225 5.754 -5.244) 7.788 2.660 ( 4.473 1.740 -2.493) 5.408 2.717 ( -5.805 3.095 1.195) 6.686 2.913 ( 4.157 5.104 8.628) 10.853 2.954 ( -6.615 -1.817 7.309) 10.024 3.244 ( -2.761 -5.388 -2.842) 6.688 3.312 ( 1.214 -1.514 -0.529) 2.012 3.400 ( 3.361 -3.257 3.120) 5.625 3.523 ( -0.643 -1.489 2.406) 2.902 3.639 ( -2.307 -2.819 -2.361) 4.341 3.732 ( -6.419 3.880 -1.652) 7.680 3.774 ( -4.624 -0.418 1.282) 4.817 3.900 ( 0.625 0.950 3.744) 3.913 3.923 ( -4.712 -1.782 3.833) 6.331 3.999 ( -7.851 2.575 -2.505) 8.634 4.133 ( -1.450 8.403 -0.850) 8.570 4.262 ( -5.822 3.070 -2.272) 6.963 4.328 ( 1.776 1.604 -8.679) 9.003 4.413 ( -1.168 0.777 1.000) 1.723 4.576 ( -2.133 5.266 3.444) 6.643 4.667 ( -0.915 -2.100 -6.970) 7.337 4.726 ( -3.396 1.939 -1.204) 4.091 4.812 ( 3.279 -4.989 5.308) 7.989 4.911 ( -1.176 2.783 -6.975) 7.601 5.050 ( -5.644 -8.241 2.751) 10.360 5.148 ( 1.703 -5.426 -1.822) 5.972 5.290 ( 3.677 2.399 0.577) 4.428 5.318 ( 0.340 -2.857 -0.978) 3.039 5.678 ( -4.222 0.901 3.582) 5.610 5.782 ( 1.829 2.162 4.858) 5.623 5.815 ( 0.249 -0.044 -3.684) 3.693 6.043 ( -8.776 1.823 7.079) 11.422 6.248 ( 4.969 -1.617 -5.255) 7.411 6.309 ( 2.747 -0.278 -4.726) 5.474 6.396 ( 2.621 -1.396 -0.813) 3.079 6.502 ( 0.867 5.132 1.729) 5.485 6.806 ( 0.524 1.963 5.757) 6.104 6.919 ( 2.912 -1.665 3.296) 4.702 7.165 ( 3.346 4.962 3.812) 7.096 7.244 ( -0.762 6.412 -8.557) 10.720 7.543 ( 1.268 4.826 -2.225) 5.463 7.755 ( 6.426 -1.573 -0.261) 6.621 7.831 ( 2.126 -3.174 2.752) 4.709 7.932 ( 3.378 -1.268 -1.588) 3.942 8.434 ( -2.419 3.973 -0.875) 4.733 8.442 ( -3.105 -0.902 1.058) 3.403 8.662 ( 1.631 -5.298 1.309) 5.696 8.825 ( 3.649 -2.291 -3.341) 5.452 9.433 ( -4.993 -2.205 6.709) 8.649 9.676 ( -0.835 7.278 1.782) 7.539 9.748 ( 3.508 0.079 -0.827) 3.605 9.779 ( 0.628 4.067 -5.952) 7.236 10.191 ( -0.391 -0.119 3.839) 3.860 10.207 ( -2.845 2.858 4.327) 5.914 10.304 ( 2.973 -2.242 1.590) 4.049 10.495 ( 3.598 0.580 -3.553) 5.090 10.601 ( -5.655 -1.814 -12.196) 13.565 10.673 ( 4.037 -2.824 4.852) 6.915 11.119 ( -2.595 -7.958 1.559) 8.514 11.203 ( -1.265 -4.664 -0.639) 4.875 12.237 ( -2.361 -0.966 -1.099) 2.778 12.322 ( 3.283 -1.073 -0.220) 3.461 12.375 ( -4.386 3.141 1.055) 5.497 12.547 ( 1.060 -0.515 0.106) 1.183 13.764 ( 0.180 0.215 0.424) 0.508 13.843 ( 1.998 -2.095 -1.950) 3.490 13.989 ( -0.377 -2.436 4.341) 4.991 14.082 ( -0.205 -3.105 -2.555) 4.026 14.565 ( -2.674 0.890 0.162) 2.823 14.620 ( -0.750 1.435 -0.393) 1.666 14.868 ( 2.705 1.129 0.472) 2.969 14.931 ( 4.556 3.489 -0.724) 5.784 15.354 ( -0.458 -0.162 2.138) 2.192 15.406 ( 1.369 0.987 -1.333) 2.151 15.564 ( -2.302 -1.023 -1.728) 3.055 15.608 ( -0.462 -0.304 0.291) 0.625 15.655 ( -3.353 2.220 1.095) 4.168 15.673 ( 1.479 0.399 2.338) 2.795 15.707 ( 0.244 0.027 -1.144) 1.170 15.844 ( 2.072 2.784 -0.440) 3.499 16.370 ( -3.331 0.843 2.395) 4.188 16.418 ( -2.910 0.412 -3.128) 4.292 16.680 ( 2.001 -3.506 -0.107) 4.039 16.711 ( 2.681 -2.623 0.228) 3.757 17.547 ( 0.015 -1.358 -2.186) 2.574 17.573 ( 3.336 -0.358 1.988) 3.900 17.608 ( 0.361 -1.817 0.265) 1.871 17.629 ( 1.496 -0.737 0.139) 1.674 21.203 ( -1.818 3.242 0.401) 3.739 21.259 ( -1.916 2.944 0.167) 3.517 21.448 ( 1.952 -1.265 -1.082) 2.565 21.525 ( 3.365 -0.851 0.370) 3.490 26.911 ( 3.138 1.203 4.244) 5.413 26.937 ( 0.460 -0.343 -1.456) 1.565 26.994 ( -1.274 1.263 -5.547) 5.830 27.004 ( 3.595 1.773 2.167) 4.556 28.884 ( -0.666 -0.721 -0.725) 1.220 28.923 ( -0.574 -0.786 -0.699) 1.198 28.957 ( 0.543 2.249 0.220) 2.324 28.997 ( 1.366 1.205 1.151) 2.155 29.586 ( -0.399 0.349 1.690) 1.771 29.668 ( -1.777 -0.782 -3.024) 3.594 29.787 ( 2.337 -0.612 -1.667) 2.935 29.886 ( 6.619 -1.844 3.382) 7.659 30.480 ( -5.418 2.730 4.765) 7.715 30.590 ( -2.232 2.151 -4.970) 5.858 30.694 ( 2.345 0.693 2.198) 3.287 30.813 ( -3.078 2.445 -2.683) 4.760 31.015 ( 1.575 1.168 5.719) 6.046 31.142 ( 0.942 4.073 -3.733) 5.605 31.347 ( -3.246 -1.769 0.282) 3.708 31.579 ( 8.531 -1.635 0.712) 8.715 31.743 ( -0.482 4.096 0.955) 4.233 31.846 ( 1.488 3.570 -2.174) 4.437 32.552 ( -5.716 0.970 1.555) 6.003 32.752 ( -0.331 5.825 -6.525) 8.753 32.933 ( -1.557 -5.703 4.362) 7.347 33.049 ( 0.218 -1.025 -3.049) 3.224 33.497 ( -12.069 -10.221 6.395) 17.060 34.027 ( 3.954 -10.416 -3.336) 11.630 ======================= Grid point 94 (42/88) ======================= q-point: (-0.30 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -6.151 0.684 4.173) 7.465 1.218 ( -7.465 1.984 -3.868) 8.639 1.305 ( -7.409 -0.160 -0.921) 7.468 1.412 ( -0.304 0.167 0.881) 0.947 1.548 ( 0.599 2.165 -0.207) 2.256 1.629 ( -1.179 3.423 -0.851) 3.719 1.853 ( -0.911 0.833 -0.116) 1.240 1.903 ( -2.350 -1.542 0.389) 2.838 2.035 ( -0.214 -2.609 -2.632) 3.712 2.123 ( -0.498 0.103 -0.504) 0.716 2.199 ( 4.947 -3.033 -1.551) 6.006 2.228 ( -2.788 6.090 -3.734) 7.668 2.381 ( -3.565 -0.234 -0.602) 3.623 2.547 ( -12.098 9.030 4.209) 15.672 2.750 ( 3.346 -4.895 -3.883) 7.088 2.855 ( -5.227 -0.653 7.127) 8.863 3.040 ( -0.515 -0.097 2.578) 2.631 3.163 ( -2.308 -2.181 -1.656) 3.581 3.281 ( -5.426 -4.670 -2.838) 7.701 3.398 ( -5.470 1.134 0.307) 5.595 3.504 ( -3.513 -3.311 2.918) 5.641 3.561 ( -4.221 -2.019 -3.275) 5.711 3.579 ( -6.700 2.217 -2.030) 7.344 3.710 ( -2.030 -4.830 0.840) 5.307 3.740 ( -13.818 2.727 -0.550) 14.095 3.865 ( -2.075 0.209 -0.161) 2.092 3.980 ( 3.093 0.190 4.528) 5.486 4.037 ( -4.766 2.942 -1.081) 5.705 4.211 ( -0.352 2.066 -1.062) 2.350 4.298 ( -1.242 2.365 -4.194) 4.972 4.402 ( -3.037 2.513 4.371) 5.886 4.553 ( 0.073 0.762 -3.756) 3.834 4.567 ( -4.415 5.909 -3.600) 8.208 4.634 ( -2.863 4.823 -3.848) 6.802 4.808 ( -3.223 3.647 -6.954) 8.488 4.874 ( -3.202 -5.899 6.810) 9.562 5.040 ( 1.991 -5.016 5.604) 7.780 5.163 ( 1.240 -4.281 -3.702) 5.794 5.302 ( 1.171 -1.487 -3.981) 4.408 5.380 ( 0.051 1.149 9.251) 9.322 5.611 ( -4.889 -3.002 1.398) 5.905 5.812 ( 3.623 -2.207 -6.587) 7.835 5.865 ( -2.636 2.128 3.152) 4.627 5.907 ( -4.844 2.013 9.493) 10.846 6.244 ( 0.391 2.881 -5.175) 5.936 6.341 ( 0.858 -3.366 -2.184) 4.103 6.479 ( 6.072 -1.883 -1.019) 6.439 6.556 ( 6.733 6.204 -4.807) 10.341 6.854 ( 0.869 5.107 5.661) 7.673 7.009 ( 3.798 -1.342 2.539) 4.762 7.202 ( 2.082 4.174 -4.651) 6.587 7.306 ( 6.800 3.495 6.129) 9.799 7.572 ( 3.833 9.696 -2.980) 10.843 7.851 ( 5.172 -5.762 -1.547) 7.896 7.908 ( 3.050 0.363 1.623) 3.474 8.024 ( 6.718 -5.453 0.378) 8.661 8.361 ( -4.226 -2.901 0.752) 5.181 8.401 ( -1.592 5.586 -0.481) 5.828 8.722 ( 2.286 -8.175 2.622) 8.884 8.858 ( 2.215 -1.939 -3.288) 4.413 9.398 ( -4.605 -0.569 7.947) 9.202 9.669 ( -0.669 7.600 -0.193) 7.632 9.742 ( 1.852 4.144 -8.096) 9.281 9.816 ( 2.602 2.231 2.805) 4.429 10.180 ( -3.141 2.294 4.275) 5.780 10.221 ( -0.413 2.240 3.270) 3.985 10.359 ( 2.477 -2.536 -2.356) 4.256 10.388 ( -3.444 0.676 -13.361) 13.814 10.550 ( 3.527 -3.252 -2.965) 5.640 10.791 ( 2.373 -2.587 8.269) 8.983 11.074 ( -2.939 -6.883 0.862) 7.534 11.173 ( -2.238 -5.024 1.328) 5.658 12.180 ( -3.343 -0.287 -0.074) 3.357 12.289 ( -3.717 3.597 -0.867) 5.245 12.393 ( 3.297 -1.761 0.279) 3.748 12.540 ( -1.612 -1.183 -0.592) 2.085 13.783 ( 1.689 0.060 0.242) 1.707 13.871 ( 2.337 -2.440 -1.479) 3.688 14.004 ( -0.966 -2.494 2.354) 3.563 14.068 ( 0.546 -2.252 -1.355) 2.684 14.515 ( -2.547 0.197 0.094) 2.557 14.617 ( 1.108 0.899 0.400) 1.482 14.947 ( 4.572 1.689 1.222) 5.024 15.020 ( 5.488 5.573 -0.744) 7.857 15.353 ( -1.216 -2.459 1.951) 3.366 15.432 ( 1.863 -0.279 0.041) 1.885 15.519 ( -1.074 0.114 -1.590) 1.922 15.585 ( -2.031 0.027 -0.086) 2.033 15.626 ( -0.116 3.989 0.932) 4.099 15.701 ( -0.105 -0.619 0.712) 0.949 15.731 ( 2.295 1.320 0.732) 2.746 15.858 ( 0.186 3.313 -1.235) 3.541 16.308 ( -3.956 1.323 -2.560) 4.895 16.358 ( -1.303 0.337 2.578) 2.908 16.698 ( -0.189 -5.255 0.149) 5.260 16.761 ( 1.532 -2.302 0.146) 2.769 17.512 ( -1.396 -1.236 -2.971) 3.508 17.625 ( 1.990 -1.387 -1.549) 2.878 17.671 ( 3.703 -1.087 2.571) 4.637 17.681 ( 3.963 -0.590 2.077) 4.513 21.169 ( -1.745 4.011 -0.139) 4.376 21.222 ( -2.129 4.459 0.771) 5.001 21.489 ( 3.345 -1.633 -1.799) 4.135 21.595 ( 3.478 -1.016 0.676) 3.686 26.889 ( -1.846 0.325 -5.269) 5.593 26.926 ( 0.926 -0.306 -3.398) 3.535 27.064 ( 6.215 3.903 4.328) 8.520 27.123 ( 5.843 1.909 3.152) 6.908 28.869 ( -0.278 -1.329 -0.791) 1.572 28.900 ( -1.215 -0.634 -0.194) 1.385 28.980 ( 1.609 3.003 0.039) 3.407 29.039 ( 1.786 1.176 1.611) 2.677 29.585 ( -0.820 0.291 0.372) 0.946 29.615 ( -1.116 0.718 -1.784) 2.223 29.846 ( 5.249 0.218 -2.341) 5.751 30.045 ( 7.423 -2.213 2.100) 8.025 30.403 ( -6.849 3.181 5.643) 9.428 30.508 ( -2.394 2.201 -4.336) 5.420 30.742 ( -1.694 2.776 0.754) 3.338 30.773 ( 2.255 1.587 2.328) 3.609 31.048 ( -1.700 -0.903 -1.002) 2.170 31.141 ( 1.043 3.335 -0.488) 3.528 31.327 ( 0.786 -0.777 1.970) 2.259 31.659 ( 1.030 -4.073 -3.010) 5.168 31.749 ( 0.746 1.130 -2.585) 2.918 31.853 ( -0.645 2.462 0.810) 2.671 32.451 ( -7.041 -1.283 3.275) 7.871 32.677 ( -4.002 3.797 -3.796) 6.696 32.890 ( -3.071 -2.640 -0.800) 4.128 33.049 ( 1.445 -1.073 -1.194) 2.160 33.325 ( -10.489 -6.411 7.105) 14.198 34.055 ( 1.229 -13.201 -3.103) 13.616 ======================= Grid point 95 (43/88) ======================= q-point: (-0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -16.672 7.266 -6.474) 19.305 1.037 ( -12.203 5.392 4.076) 13.950 1.196 ( -4.875 1.738 0.055) 5.176 1.462 ( 3.639 -0.655 2.081) 4.243 1.547 ( -1.975 1.331 -1.834) 3.006 1.639 ( 3.163 2.144 -1.751) 4.203 1.790 ( -7.448 2.170 1.167) 7.845 1.822 ( -8.911 4.327 0.732) 9.933 2.016 ( -2.034 -1.506 -0.515) 2.582 2.051 ( -6.969 -0.261 0.630) 7.002 2.156 ( -2.942 3.241 -1.164) 4.529 2.204 ( -1.136 9.370 2.211) 9.694 2.344 ( -1.271 -4.656 0.372) 4.841 2.414 ( 1.059 0.325 -0.812) 1.374 2.707 ( -2.610 -6.001 -5.427) 8.502 2.874 ( -1.981 -5.963 3.573) 7.228 2.951 ( -8.192 0.101 1.897) 8.409 3.083 ( -9.873 -5.456 0.251) 11.283 3.106 ( -3.621 -2.093 -0.200) 4.187 3.275 ( -6.546 2.141 1.876) 7.138 3.362 ( -12.002 0.549 -2.427) 12.258 3.480 ( 1.262 -4.182 -3.601) 5.661 3.521 ( -1.701 4.147 5.146) 6.824 3.571 ( -4.889 0.135 -0.328) 4.902 3.717 ( 2.783 -5.248 -2.864) 6.595 3.860 ( 2.869 -2.062 -5.635) 6.651 3.945 ( -4.791 1.010 -2.371) 5.440 4.038 ( 1.509 -0.826 0.458) 1.780 4.181 ( -3.903 0.559 4.226) 5.780 4.237 ( -1.298 -0.803 -4.836) 5.072 4.371 ( -6.907 8.261 3.697) 11.385 4.389 ( -6.220 -3.155 -1.259) 7.087 4.545 ( 2.535 3.509 -5.482) 6.985 4.631 ( 2.239 12.203 -1.566) 12.505 4.685 ( -5.821 1.687 -3.405) 6.951 4.833 ( -5.889 -6.675 6.947) 11.291 5.103 ( -1.133 2.203 0.421) 2.512 5.143 ( 2.263 -1.909 -5.789) 6.503 5.345 ( 6.031 -1.199 -1.064) 6.241 5.430 ( -1.238 6.320 8.740) 10.856 5.525 ( -4.793 -8.723 1.391) 10.050 5.756 ( -8.457 2.020 10.607) 13.715 5.807 ( 0.019 -7.078 -5.600) 9.025 6.032 ( 7.798 0.892 1.018) 7.914 6.226 ( 4.484 7.797 -10.466) 13.800 6.312 ( -3.704 -0.429 4.568) 5.897 6.565 ( 2.497 -3.495 -1.686) 4.615 6.648 ( 8.892 2.543 -8.307) 12.432 6.925 ( 0.528 8.245 7.950) 11.466 7.098 ( 2.224 -0.493 4.326) 4.889 7.257 ( 7.716 1.024 -3.942) 8.725 7.475 ( 5.995 1.812 3.026) 6.955 7.653 ( 6.176 12.908 0.684) 14.326 7.922 ( 3.951 -7.710 -1.756) 8.839 7.985 ( 3.996 1.644 1.805) 4.683 8.139 ( 5.308 -4.376 -3.717) 7.819 8.316 ( -1.088 -4.664 2.328) 5.325 8.365 ( -2.470 3.690 -0.422) 4.461 8.764 ( -0.222 -11.567 2.339) 11.803 8.854 ( 0.044 -2.215 -3.028) 3.752 9.382 ( -3.118 3.382 6.823) 8.229 9.637 ( -0.874 9.622 -4.027) 10.468 9.755 ( 5.492 1.500 -5.989) 8.263 9.881 ( 0.826 3.522 4.966) 6.144 10.115 ( -5.908 0.228 -3.182) 6.714 10.189 ( -1.769 3.894 1.927) 4.691 10.319 ( 3.409 1.380 -3.920) 5.375 10.398 ( 2.849 -2.693 -2.105) 4.450 10.586 ( 1.658 -3.252 -1.459) 3.931 10.853 ( -2.780 -1.990 6.583) 7.418 11.036 ( -1.222 -5.693 0.262) 5.828 11.141 ( -2.287 -4.799 1.791) 5.609 12.108 ( -4.732 2.414 1.412) 5.497 12.223 ( -1.892 1.554 -3.144) 3.985 12.442 ( 1.017 -2.877 -0.308) 3.067 12.495 ( -1.517 -0.627 -0.121) 1.646 13.830 ( 2.874 -0.549 0.209) 2.933 13.908 ( 2.718 -1.803 -0.896) 3.382 14.000 ( -0.218 -2.042 0.658) 2.156 14.074 ( 0.851 -1.117 -1.397) 1.981 14.483 ( -1.377 -1.578 1.735) 2.720 14.678 ( 5.164 -0.461 0.440) 5.203 15.048 ( 4.990 2.639 1.465) 5.832 15.126 ( 5.824 8.666 0.939) 10.483 15.351 ( -0.222 -2.536 1.405) 2.907 15.466 ( 0.416 1.443 1.125) 1.876 15.499 ( -0.062 1.142 0.089) 1.147 15.558 ( 0.186 0.560 -0.414) 0.721 15.644 ( 0.647 4.307 0.133) 4.357 15.702 ( 0.066 -0.667 0.742) 1.000 15.759 ( -0.180 0.823 -0.683) 1.085 15.847 ( 1.347 1.266 -3.516) 3.972 16.244 ( -0.229 3.327 -0.534) 3.378 16.383 ( 0.659 -2.858 3.694) 4.717 16.661 ( -4.436 -6.360 0.463) 7.769 16.754 ( -2.160 -2.760 -1.389) 3.770 17.466 ( -1.403 -0.123 -0.669) 1.559 17.648 ( 2.823 -0.178 -3.897) 4.816 17.763 ( 3.967 -2.096 2.960) 5.375 17.780 ( 3.625 -0.824 2.820) 4.666 21.142 ( -0.938 5.693 -0.016) 5.770 21.196 ( -1.321 5.316 0.924) 5.555 21.542 ( 3.671 -1.168 -1.384) 4.093 21.659 ( 2.730 -0.868 0.322) 2.883 26.832 ( -0.590 1.000 -1.821) 2.160 26.929 ( 1.519 -0.696 -1.699) 2.383 27.225 ( 7.020 4.883 2.983) 9.057 27.260 ( 8.053 5.437 0.441) 9.727 28.863 ( 0.182 -2.013 -0.510) 2.084 28.878 ( -1.014 -0.715 0.176) 1.253 29.017 ( 2.156 3.773 0.593) 4.386 29.086 ( 2.159 2.107 1.133) 3.222 29.569 ( -0.052 0.886 -0.631) 1.089 29.600 ( -0.398 1.517 0.382) 1.615 29.947 ( 6.972 0.891 -1.267) 7.142 30.181 ( 6.009 -1.944 -0.015) 6.315 30.312 ( -6.962 3.992 4.788) 9.345 30.442 ( -1.270 2.375 -3.268) 4.235 30.733 ( 0.305 3.713 1.661) 4.079 30.837 ( 1.875 -0.302 2.464) 3.111 30.969 ( -2.118 -0.911 -6.560) 6.953 31.142 ( -3.120 2.084 2.973) 4.787 31.384 ( 2.102 -0.824 3.533) 4.193 31.621 ( -3.118 -3.175 -0.481) 4.476 31.677 ( -4.798 -4.206 -5.519) 8.436 31.817 ( -4.338 3.287 0.705) 5.488 32.337 ( -6.993 -7.405 1.860) 10.354 32.517 ( -10.146 -4.803 -3.235) 11.683 32.861 ( -0.148 1.203 1.949) 2.295 33.077 ( 2.096 3.102 -1.228) 3.940 33.244 ( -3.543 -3.831 6.193) 8.098 34.002 ( -3.728 -17.167 -7.194) 18.983 ======================= Grid point 96 (44/88) ======================= q-point: (-0.10 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -10.107 13.594 7.170) 18.394 0.807 ( -16.466 13.001 6.506) 21.965 1.111 ( -4.870 7.010 4.059) 9.452 1.351 ( -15.958 10.947 2.950) 19.575 1.530 ( -0.280 1.912 -0.165) 1.939 1.580 ( -5.787 7.717 -0.278) 9.650 1.663 ( -3.651 2.471 -3.276) 5.493 1.750 ( 5.943 1.013 -3.533) 6.988 1.935 ( -3.497 -1.936 0.138) 4.000 1.998 ( -1.563 -1.301 -1.159) 2.341 2.149 ( -0.867 2.013 3.710) 4.309 2.247 ( 2.648 -2.938 -0.851) 4.045 2.347 ( 3.044 5.817 5.815) 8.771 2.471 ( 3.932 -4.517 -3.468) 6.920 2.608 ( -3.185 -6.030 -4.974) 8.441 2.671 ( -13.828 0.366 2.007) 13.978 2.891 ( -1.364 -8.857 0.632) 8.984 3.009 ( -2.343 -3.866 7.361) 8.638 3.096 ( -2.534 -5.230 4.976) 7.650 3.147 ( -5.117 0.288 -1.799) 5.432 3.223 ( -1.717 0.024 1.421) 2.229 3.479 ( 0.164 -5.112 -3.121) 5.992 3.484 ( -4.207 4.119 0.251) 5.893 3.555 ( 0.305 1.631 3.099) 3.515 3.723 ( 0.460 -2.419 -5.346) 5.886 3.786 ( -6.543 0.051 -0.772) 6.589 3.880 ( 3.165 0.774 -10.090) 10.603 4.090 ( 1.895 -0.654 -2.418) 3.141 4.139 ( -5.598 1.016 4.737) 7.403 4.154 ( -6.050 -7.219 -1.827) 9.594 4.200 ( 2.327 0.949 -5.010) 5.605 4.382 ( -3.398 4.371 4.615) 7.208 4.525 ( -6.339 2.299 -3.868) 7.774 4.551 ( -0.038 3.820 -3.363) 5.090 4.671 ( 2.450 8.236 2.619) 8.983 4.778 ( -4.734 -4.786 6.894) 9.635 5.026 ( -3.567 1.374 -4.779) 6.120 5.163 ( 4.438 1.986 -8.035) 9.392 5.429 ( -0.759 -4.955 3.595) 6.168 5.479 ( 1.673 2.790 -1.737) 3.688 5.514 ( 4.637 13.579 2.658) 14.593 5.694 ( -3.695 -7.502 -0.600) 8.384 5.785 ( -2.602 -5.965 12.960) 14.502 6.145 ( 2.332 4.231 -5.753) 7.512 6.247 ( 7.569 5.233 -7.372) 11.790 6.326 ( 1.570 1.234 5.184) 5.556 6.542 ( -2.723 -4.782 -1.193) 5.631 6.766 ( 9.244 -1.181 -8.449) 12.579 6.988 ( -0.642 8.634 10.391) 13.525 7.140 ( -2.164 -0.908 6.159) 6.590 7.409 ( 9.777 -2.230 -3.164) 10.515 7.572 ( 4.177 2.103 -0.246) 4.683 7.806 ( 7.317 8.178 4.371) 11.812 7.973 ( 1.775 -4.471 -1.435) 5.019 8.065 ( 2.850 0.576 -0.618) 2.972 8.147 ( 1.041 3.102 -5.767) 6.630 8.275 ( -5.396 3.098 -3.073) 6.939 8.349 ( 0.638 -6.963 2.411) 7.397 8.754 ( -1.767 -12.846 1.122) 13.015 8.819 ( -0.853 -3.628 -3.203) 4.914 9.383 ( -1.751 6.412 4.750) 8.169 9.592 ( 0.188 11.445 -4.879) 12.443 9.828 ( 3.469 -0.302 -2.320) 4.184 9.898 ( -0.230 1.794 -0.123) 1.813 10.025 ( -0.286 0.230 0.612) 0.713 10.201 ( 0.707 2.292 2.292) 3.317 10.369 ( 2.437 -0.825 0.704) 2.667 10.443 ( 3.411 -0.922 -1.845) 3.986 10.582 ( -1.844 -2.408 0.974) 3.186 10.775 ( -8.703 0.538 2.691) 9.125 11.039 ( 1.646 -5.428 -0.743) 5.721 11.110 ( -2.220 -4.031 0.029) 4.602 12.035 ( -4.032 4.824 1.859) 6.556 12.158 ( -1.526 1.182 -5.004) 5.363 12.424 ( -1.231 -2.201 1.192) 2.789 12.505 ( 0.853 -1.547 0.332) 1.797 13.883 ( 2.294 -1.747 0.606) 2.946 13.959 ( 2.926 -0.430 -0.540) 3.006 14.012 ( 0.556 -0.733 0.699) 1.156 14.073 ( 1.303 -0.459 -3.998) 4.230 14.496 ( 0.054 -5.260 4.887) 7.180 14.807 ( 7.892 -6.442 -3.172) 10.670 15.156 ( 5.413 2.982 0.357) 6.190 15.255 ( 6.796 10.997 -0.363) 12.933 15.366 ( 1.476 1.411 1.680) 2.644 15.460 ( 0.188 2.302 -0.321) 2.332 15.519 ( -0.106 0.796 1.787) 1.959 15.589 ( 2.291 2.657 0.248) 3.517 15.627 ( -2.278 4.221 -0.447) 4.817 15.713 ( 0.232 2.883 -0.022) 2.893 15.782 ( 6.406 0.524 2.908) 7.055 15.864 ( 4.254 -2.524 -4.610) 6.762 16.304 ( 4.799 1.290 1.737) 5.264 16.387 ( -4.014 -7.216 -1.769) 8.445 16.534 ( -8.593 -5.272 0.579) 10.098 16.641 ( -7.894 -2.425 -3.685) 9.043 17.466 ( 0.281 1.366 3.053) 3.356 17.674 ( 3.623 0.796 -5.388) 6.541 17.841 ( 0.956 -3.007 2.597) 4.087 17.850 ( 1.967 -1.430 1.932) 3.105 21.144 ( 0.702 7.716 1.612) 7.913 21.190 ( 0.241 5.388 0.766) 5.447 21.605 ( 3.289 -0.428 0.217) 3.324 21.701 ( 1.694 -0.105 -0.132) 1.702 26.867 ( 2.384 -1.504 7.410) 7.928 26.956 ( 1.740 -0.971 0.612) 2.085 27.329 ( 3.775 3.914 -0.275) 5.444 27.490 ( 16.829 12.008 -2.873) 20.872 28.864 ( -0.505 -1.105 0.480) 1.306 28.870 ( 0.456 -2.298 -0.019) 2.343 29.060 ( 1.183 3.342 1.152) 3.728 29.156 ( 5.724 4.474 -1.050) 7.340 29.579 ( 0.694 1.665 0.789) 1.969 29.630 ( 4.104 2.473 4.156) 6.343 30.080 ( 6.748 0.860 0.915) 6.864 30.222 ( -5.421 4.472 3.056) 7.663 30.266 ( 3.421 -1.360 -1.179) 3.866 30.416 ( 0.755 2.939 -2.213) 3.756 30.781 ( 3.707 2.459 1.366) 4.653 30.871 ( 0.272 -0.864 0.924) 1.294 30.887 ( -0.902 0.235 -7.512) 7.569 31.056 ( -8.430 1.113 2.584) 8.887 31.437 ( -0.151 -1.762 2.785) 3.299 31.498 ( -7.840 -3.012 -2.701) 8.822 31.559 ( -5.044 -0.839 0.618) 5.151 31.720 ( -4.226 1.429 -2.072) 4.919 32.168 ( -17.825 -22.251 1.553) 28.552 32.300 ( -6.806 -9.883 0.106) 12.001 32.890 ( 0.366 3.160 3.588) 4.795 33.093 ( 0.836 5.396 -2.025) 5.824 33.250 ( -2.518 -3.459 5.108) 6.664 33.768 ( -11.323 -12.332 -14.050) 21.856 ======================= Grid point 97 (45/88) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 0.542 13.997 2.130) 14.169 1.073 ( -0.808 13.470 6.695) 15.063 1.178 ( 3.682 4.887 -4.851) 7.808 1.438 ( 0.753 2.791 4.704) 5.521 1.503 ( -6.235 4.204 -5.203) 9.144 1.585 ( -0.787 0.873 -3.552) 3.742 1.718 ( 0.668 -7.886 0.319) 7.921 1.823 ( 2.541 -0.758 1.236) 2.925 1.869 ( -2.244 4.187 0.575) 4.785 1.978 ( -1.510 8.592 -0.168) 8.726 2.064 ( 0.571 -6.103 5.073) 7.956 2.267 ( 2.600 -3.329 -2.663) 4.994 2.390 ( -2.536 2.202 0.137) 3.361 2.467 ( 4.670 1.529 -0.683) 4.961 2.550 ( -0.175 1.302 3.955) 4.167 2.689 ( -1.658 6.459 -0.988) 6.741 2.778 ( 2.751 -3.175 8.489) 9.471 2.868 ( -2.435 -9.530 8.826) 13.215 2.953 ( -1.341 -7.289 7.799) 10.759 3.120 ( 1.663 -0.397 -2.129) 2.731 3.188 ( -1.247 3.060 -2.657) 4.240 3.460 ( -0.596 2.964 -2.204) 3.741 3.517 ( -3.602 -2.586 -4.732) 6.485 3.558 ( -0.846 -0.930 -4.695) 4.860 3.647 ( 3.302 -1.583 -0.165) 3.665 3.760 ( 1.313 3.984 -0.671) 4.248 3.889 ( -1.093 1.475 0.074) 1.837 3.977 ( 2.153 -2.781 -0.580) 3.564 4.103 ( 5.748 -1.036 -0.130) 5.842 4.174 ( 1.808 3.171 -0.720) 3.721 4.234 ( -0.489 -0.344 -4.110) 4.153 4.305 ( -0.528 -3.708 -1.780) 4.147 4.561 ( -4.214 8.388 -3.512) 10.022 4.615 ( 1.209 6.144 -2.419) 6.713 4.761 ( 2.717 1.380 5.838) 6.585 4.898 ( -1.940 -0.454 0.501) 2.055 4.939 ( -0.251 4.685 -1.712) 4.994 5.108 ( -2.063 -8.717 -1.725) 9.122 5.291 ( 0.946 0.244 1.780) 2.031 5.479 ( 1.922 -9.899 -2.970) 10.512 5.707 ( 1.195 6.276 2.921) 7.025 5.744 ( -1.244 3.351 6.623) 7.526 5.923 ( -1.450 9.992 -1.159) 10.163 6.212 ( 3.785 -1.830 -8.177) 9.194 6.267 ( -5.291 0.810 3.641) 6.474 6.365 ( -3.520 1.391 4.626) 5.977 6.541 ( 6.067 3.918 -8.442) 11.110 6.741 ( 6.040 -5.233 -9.708) 12.574 7.093 ( -3.749 4.027 10.607) 11.949 7.240 ( -3.588 9.935 0.296) 10.568 7.463 ( 2.409 -8.724 1.283) 9.141 7.548 ( 0.079 -0.928 -0.681) 1.154 7.794 ( 1.104 -6.544 4.368) 7.945 7.887 ( -3.977 -5.465 1.994) 7.047 8.079 ( 0.234 -3.004 -4.644) 5.535 8.128 ( -3.010 -0.622 -5.387) 6.203 8.292 ( 1.066 0.779 3.745) 3.971 8.378 ( 0.348 3.713 1.103) 3.889 8.483 ( -1.685 -8.193 2.712) 8.793 8.692 ( 2.028 -5.866 -5.202) 8.098 9.573 ( -3.177 11.046 4.783) 12.449 9.749 ( 3.846 0.639 -1.042) 4.035 9.876 ( -3.289 7.236 -0.385) 7.958 10.015 ( 8.002 5.917 -6.603) 11.943 10.075 ( 0.331 1.258 3.469) 3.705 10.257 ( 0.635 0.073 -2.451) 2.533 10.373 ( 1.792 -2.555 3.280) 4.527 10.447 ( 0.280 0.532 6.675) 6.702 10.480 ( -5.776 -3.096 2.877) 7.157 10.729 ( -0.003 3.297 -5.974) 6.823 10.873 ( -1.479 -10.678 1.629) 10.902 10.974 ( -1.546 -5.367 -3.196) 6.435 12.148 ( -0.308 8.429 0.232) 8.438 12.192 ( 1.342 4.162 -1.845) 4.746 12.375 ( 0.461 -3.922 2.479) 4.662 12.443 ( -0.467 -4.727 -0.727) 4.805 13.884 ( 0.197 -0.530 1.690) 1.782 13.973 ( -1.017 -2.282 -1.304) 2.818 14.005 ( 0.421 0.429 0.281) 0.664 14.042 ( 1.203 -1.409 -1.685) 2.504 14.451 ( -0.088 -1.336 1.850) 2.284 14.615 ( -0.852 -9.371 -4.662) 10.501 15.293 ( -4.623 3.597 0.470) 5.877 15.336 ( 3.219 0.838 0.598) 3.380 15.450 ( -1.715 -0.122 -0.433) 1.773 15.470 ( 2.088 0.990 -0.600) 2.387 15.603 ( 1.562 4.998 -1.330) 5.403 15.643 ( -1.331 0.618 0.023) 1.467 15.658 ( -0.535 2.261 -3.493) 4.196 15.738 ( 0.497 -1.137 -1.930) 2.295 15.855 ( 3.234 -0.354 0.188) 3.259 15.955 ( -3.943 -2.914 -2.679) 5.587 16.192 ( 6.207 0.874 2.769) 6.853 16.292 ( -5.597 -3.182 -1.552) 6.622 16.431 ( 2.242 0.011 0.778) 2.373 16.501 ( 0.151 -2.043 -2.094) 2.929 17.537 ( -1.296 3.617 2.911) 4.821 17.689 ( 1.222 -1.804 -2.616) 3.404 17.791 ( -1.562 -0.780 0.877) 1.954 17.840 ( -0.772 -1.716 0.318) 1.908 21.298 ( -0.792 5.316 1.608) 5.610 21.331 ( 0.877 5.515 1.338) 5.742 21.641 ( 0.338 -0.300 1.527) 1.592 21.705 ( -0.556 -1.151 -1.088) 1.679 26.922 ( 0.693 -0.254 5.626) 5.674 26.968 ( 0.889 -1.681 2.820) 3.402 27.472 ( 0.006 5.307 -1.204) 5.442 27.660 ( -1.400 -2.656 -8.957) 9.447 28.843 ( 0.163 -1.006 0.472) 1.123 28.844 ( 0.425 -0.986 0.588) 1.224 29.155 ( -0.063 3.739 -0.263) 3.749 29.227 ( -0.667 0.469 -4.138) 4.217 29.664 ( 1.390 2.668 3.357) 4.507 29.749 ( -0.023 -1.326 1.679) 2.140 30.188 ( -0.031 1.418 1.570) 2.116 30.243 ( -0.566 0.401 -1.005) 1.221 30.336 ( -0.591 5.397 3.847) 6.654 30.484 ( -0.466 2.424 0.518) 2.522 30.737 ( -1.379 -5.625 -0.910) 5.863 30.762 ( 0.138 -5.037 -0.332) 5.049 30.937 ( -3.587 3.795 -1.308) 5.383 31.043 ( 6.390 0.782 -7.007) 9.515 31.340 ( -2.647 1.218 1.962) 3.512 31.412 ( -0.560 -0.167 -1.699) 1.797 31.487 ( 1.735 1.027 3.603) 4.128 31.655 ( 1.775 -2.792 0.173) 3.313 31.707 ( 0.943 -4.692 8.149) 9.450 31.973 ( -1.038 -12.727 -3.049) 13.128 33.008 ( -1.305 5.475 4.765) 7.375 33.188 ( -1.425 -0.802 4.667) 4.946 33.235 ( -0.170 6.579 -2.169) 6.929 33.528 ( 2.021 -5.145 -7.335) 9.185 ======================= Grid point 98 (46/88) ======================= q-point: ( 0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 6.379 6.541 3.628) 9.831 1.049 ( -0.903 1.247 -3.659) 3.970 1.327 ( 0.659 7.631 3.746) 8.526 1.349 ( 1.498 4.540 -2.798) 5.539 1.532 ( 4.618 2.295 1.533) 5.380 1.569 ( 2.337 0.633 -0.575) 2.489 1.720 ( -0.012 -0.104 -1.205) 1.210 1.822 ( 0.385 -5.820 -3.561) 6.833 1.943 ( 4.777 4.063 4.394) 7.657 1.996 ( 4.128 7.110 0.262) 8.226 2.130 ( 2.311 -4.079 3.405) 5.794 2.293 ( 2.815 -3.942 -3.203) 5.807 2.378 ( 0.558 5.590 -0.253) 5.623 2.536 ( 1.449 2.589 2.130) 3.653 2.648 ( 4.516 -3.348 1.712) 5.877 2.704 ( 7.105 7.093 -0.535) 10.054 2.863 ( 0.492 -3.317 6.709) 7.500 2.922 ( 2.149 -6.821 3.803) 8.100 3.019 ( 0.934 -5.233 10.117) 11.428 3.168 ( 2.325 1.645 -4.100) 4.992 3.197 ( 6.015 0.031 0.130) 6.017 3.384 ( -2.709 -5.335 -7.740) 9.783 3.451 ( 0.398 2.855 -0.513) 2.928 3.530 ( 1.583 -2.955 -2.753) 4.338 3.651 ( -1.013 4.606 -2.066) 5.149 3.815 ( 4.053 0.064 1.740) 4.412 3.930 ( 2.579 2.195 -0.465) 3.418 4.008 ( 1.367 -0.210 -4.957) 5.146 4.124 ( 0.371 3.069 -4.715) 5.638 4.213 ( 4.811 -0.405 3.128) 5.753 4.251 ( 1.920 -3.605 -8.313) 9.262 4.368 ( 9.413 -3.318 0.765) 10.010 4.514 ( 0.364 6.814 2.382) 7.228 4.650 ( 3.328 5.999 -1.038) 6.938 4.821 ( -1.938 1.168 -0.375) 2.294 4.883 ( 2.934 0.249 3.729) 4.752 4.984 ( 2.673 2.323 2.195) 4.166 5.054 ( -1.313 -6.097 -3.367) 7.088 5.320 ( 0.754 -2.500 1.377) 2.952 5.464 ( -1.269 -5.782 -1.053) 6.013 5.717 ( -7.602 2.350 0.749) 7.992 5.764 ( -2.256 1.655 5.439) 6.116 5.806 ( -1.077 12.936 0.539) 12.992 6.184 ( -1.557 -1.611 -3.742) 4.361 6.218 ( -1.629 6.885 0.484) 7.091 6.347 ( -1.069 -2.833 -0.620) 3.091 6.604 ( 5.667 -0.265 -5.969) 8.235 6.745 ( 1.309 -3.764 -8.440) 9.333 7.070 ( -8.014 6.577 10.907) 15.048 7.169 ( -3.494 9.021 0.383) 9.681 7.423 ( -3.919 -4.060 -0.469) 5.662 7.566 ( -0.987 -1.529 0.010) 1.819 7.819 ( -4.177 -2.388 2.950) 5.644 7.842 ( -0.478 -8.759 3.816) 9.566 8.008 ( -3.567 -2.222 -3.969) 5.780 8.030 ( -3.269 -2.158 -1.774) 4.299 8.313 ( -1.720 0.146 2.282) 2.861 8.397 ( 1.159 -2.785 -0.064) 3.018 8.484 ( 0.078 -1.313 2.551) 2.870 8.720 ( 4.720 -5.821 -4.741) 8.868 9.532 ( -4.360 10.736 4.051) 12.275 9.802 ( -0.571 -0.635 0.304) 0.907 9.822 ( 0.912 10.633 -3.973) 11.387 10.079 ( -1.356 2.355 2.051) 3.404 10.104 ( 5.632 -0.257 -6.300) 8.455 10.225 ( -2.678 -1.366 -3.374) 4.519 10.399 ( -2.579 -0.665 3.133) 4.112 10.457 ( 1.332 2.502 2.553) 3.815 10.533 ( 2.756 -2.158 8.759) 9.433 10.677 ( 0.268 4.624 -5.577) 7.250 10.879 ( 0.263 -12.468 3.228) 12.881 10.933 ( 0.211 -6.475 -2.346) 6.890 12.144 ( 0.357 7.264 -0.402) 7.284 12.239 ( 4.271 4.309 -1.190) 6.182 12.391 ( -1.027 -4.720 0.709) 4.882 12.436 ( 0.787 -3.878 0.099) 3.958 13.889 ( -1.317 -1.402 2.109) 2.854 13.921 ( -2.987 -1.675 -1.483) 3.732 13.992 ( -1.958 0.903 -0.350) 2.184 14.032 ( -0.346 -1.144 -1.524) 1.936 14.470 ( 0.106 -2.586 2.700) 3.740 14.553 ( -1.287 -6.356 -4.436) 7.858 15.193 ( -5.338 3.002 0.502) 6.145 15.324 ( -3.464 -3.386 1.346) 5.028 15.439 ( -0.154 6.934 -1.745) 7.152 15.489 ( -1.259 1.716 0.069) 2.130 15.576 ( -3.923 0.511 1.416) 4.202 15.618 ( -0.452 2.332 -0.369) 2.404 15.644 ( 0.756 2.125 -0.938) 2.443 15.703 ( -2.058 -0.121 -2.245) 3.048 15.851 ( -1.898 2.650 -1.395) 3.545 15.900 ( 0.285 -1.159 0.250) 1.220 16.224 ( 1.133 1.937 -1.226) 2.557 16.337 ( 2.610 -0.057 1.643) 3.084 16.487 ( 4.832 -3.990 1.094) 6.361 16.549 ( 5.469 -5.250 -3.418) 8.316 17.521 ( -2.099 3.314 3.275) 5.110 17.663 ( -1.324 -1.229 -3.275) 3.741 17.763 ( -2.770 -1.360 2.335) 3.870 17.807 ( -2.781 -1.873 0.358) 3.372 21.291 ( -1.142 6.462 1.567) 6.747 21.347 ( 0.054 5.290 0.508) 5.314 21.629 ( -2.972 -1.564 1.789) 3.805 21.649 ( -3.602 -0.964 -1.654) 4.079 26.964 ( -0.214 -0.519 3.383) 3.430 26.996 ( -0.098 -1.587 1.898) 2.476 27.409 ( -6.364 3.244 0.816) 7.189 27.460 ( -10.644 1.503 -6.401) 12.511 28.850 ( 0.498 -0.507 0.043) 0.713 28.862 ( 0.844 -1.242 0.506) 1.585 29.132 ( -2.219 2.790 0.305) 3.578 29.151 ( -3.702 2.106 -1.901) 4.664 29.696 ( -1.954 1.954 1.688) 3.238 29.702 ( -2.620 1.719 1.385) 3.426 30.139 ( -5.354 0.625 1.864) 5.704 30.173 ( -5.663 -0.097 -2.293) 6.111 30.354 ( -0.477 5.949 3.900) 7.130 30.487 ( 1.600 3.554 -0.540) 3.934 30.714 ( 0.335 -3.295 -0.831) 3.414 30.769 ( 0.300 -3.480 0.209) 3.499 30.950 ( 3.163 2.046 -1.765) 4.160 31.105 ( 3.121 -3.928 -2.853) 5.771 31.315 ( 1.250 1.058 1.329) 2.109 31.471 ( 3.953 -3.947 0.762) 5.638 31.645 ( 10.072 4.556 1.942) 11.223 31.699 ( 6.462 2.772 -3.699) 7.945 31.980 ( 14.025 -12.663 -0.309) 18.898 31.993 ( 9.174 -12.333 1.781) 15.474 33.014 ( -2.280 5.541 5.875) 8.392 33.194 ( -2.367 5.351 -1.723) 6.100 33.209 ( -0.375 -0.474 4.244) 4.286 33.523 ( 4.007 -6.792 -8.002) 11.234 ======================= Grid point 99 (47/88) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 2.812 1.525 -2.011) 3.778 1.133 ( 6.424 -1.683 1.045) 6.723 1.287 ( 1.165 5.929 -0.606) 6.073 1.405 ( -0.257 1.636 0.655) 1.781 1.581 ( 1.630 2.785 -1.024) 3.386 1.634 ( 1.901 3.759 0.560) 4.250 1.761 ( 4.013 -1.741 0.526) 4.406 1.825 ( 2.633 -6.838 -2.778) 7.836 2.021 ( 0.714 3.288 2.587) 4.244 2.131 ( 7.905 1.806 -0.575) 8.129 2.203 ( 2.989 -2.034 2.312) 4.291 2.311 ( 0.119 -4.375 -1.495) 4.625 2.377 ( -0.507 8.482 -0.332) 8.503 2.593 ( 2.677 2.966 5.073) 6.458 2.679 ( 0.407 -2.252 -0.601) 2.367 2.862 ( 3.545 1.732 -4.341) 5.866 2.914 ( 1.287 -1.703 1.941) 2.885 3.018 ( 10.893 0.110 -2.541) 11.186 3.146 ( 0.037 -4.480 4.161) 6.114 3.174 ( 8.093 -4.688 -4.217) 10.260 3.311 ( 2.830 -0.226 -3.196) 4.275 3.354 ( 7.138 1.045 2.458) 7.621 3.549 ( 6.143 3.454 3.192) 7.736 3.559 ( 5.849 -1.369 -1.087) 6.105 3.659 ( 3.725 6.762 -0.632) 7.746 3.844 ( -2.780 0.540 -2.284) 3.638 3.945 ( -1.834 -0.747 1.159) 2.295 4.027 ( 8.517 -6.553 -1.099) 10.802 4.138 ( 4.481 2.932 -3.543) 6.421 4.266 ( 5.635 3.814 -8.198) 10.654 4.325 ( 4.162 -2.957 -1.449) 5.308 4.508 ( 2.891 -3.540 2.386) 5.156 4.570 ( 3.878 1.415 0.246) 4.135 4.697 ( 1.268 2.252 -2.737) 3.764 4.825 ( 3.130 6.288 3.808) 7.990 4.945 ( -0.547 3.195 4.817) 5.806 5.036 ( 1.122 -3.395 1.842) 4.022 5.054 ( 3.796 -1.429 -0.978) 4.172 5.309 ( -3.735 -3.317 -0.119) 4.997 5.388 ( -6.733 -4.544 2.785) 8.587 5.613 ( 0.269 5.483 -1.281) 5.637 5.738 ( -2.240 -0.238 2.912) 3.681 5.859 ( 2.797 8.798 -0.939) 9.279 6.114 ( -4.925 -1.230 3.185) 5.993 6.204 ( -0.413 4.939 -0.839) 5.027 6.313 ( 0.794 -2.124 -5.495) 5.944 6.615 ( -0.920 -2.697 -4.920) 5.685 6.661 ( -4.011 0.191 -5.047) 6.450 6.988 ( -6.062 5.776 6.180) 10.407 7.110 ( -4.458 7.888 1.083) 9.125 7.349 ( -3.988 1.177 0.684) 4.214 7.519 ( -2.981 0.913 1.177) 3.332 7.765 ( -3.192 -4.235 -0.489) 5.326 7.811 ( -4.405 -5.297 1.250) 7.001 7.920 ( -2.775 -4.486 -2.228) 5.726 7.971 ( -4.498 -2.019 3.355) 5.964 8.311 ( -0.257 1.545 3.473) 3.810 8.424 ( 2.430 -3.605 -1.541) 4.613 8.508 ( 0.599 -1.140 2.007) 2.385 8.775 ( 3.945 -5.669 -4.018) 7.990 9.492 ( -3.124 9.461 4.955) 11.128 9.763 ( -1.083 4.991 -2.172) 5.550 9.809 ( -0.570 3.836 -3.493) 5.219 10.047 ( -2.742 -1.947 1.349) 3.623 10.132 ( -1.634 1.505 -4.031) 4.603 10.158 ( 2.354 0.140 -3.196) 3.972 10.376 ( -2.704 0.681 1.823) 3.332 10.472 ( 0.229 2.402 -1.050) 2.631 10.569 ( -1.252 2.647 -2.195) 3.659 10.739 ( 4.279 -1.539 6.125) 7.629 10.918 ( 0.118 -11.082 4.261) 11.873 10.965 ( 4.068 -6.895 -0.110) 8.007 12.160 ( 1.586 5.008 -0.236) 5.258 12.315 ( 4.459 3.854 -1.074) 5.991 12.362 ( -1.489 -4.507 -0.385) 4.762 12.459 ( 1.064 -2.759 0.085) 2.958 13.848 ( -3.295 -0.739 -0.430) 3.404 13.874 ( -1.862 -2.750 1.364) 3.590 13.942 ( -2.128 1.651 -1.456) 3.062 14.022 ( 0.173 -2.181 -0.558) 2.258 14.496 ( 0.652 -2.734 2.534) 3.784 14.515 ( 0.428 -3.628 -2.986) 4.719 15.109 ( -4.401 3.323 0.699) 5.559 15.262 ( -5.221 -3.439 0.485) 6.271 15.377 ( -3.059 8.575 0.784) 9.138 15.463 ( -1.487 1.948 2.081) 3.215 15.543 ( -1.154 -0.855 1.335) 1.961 15.601 ( -1.367 -0.704 0.769) 1.719 15.650 ( -0.878 1.583 -2.293) 2.921 15.656 ( 0.630 1.425 -1.609) 2.239 15.831 ( -0.925 2.408 0.173) 2.585 15.882 ( -0.053 1.940 -3.088) 3.647 16.288 ( 3.690 2.869 1.569) 4.930 16.368 ( 1.673 2.542 0.329) 3.060 16.582 ( 3.052 -5.534 1.973) 6.620 16.614 ( 3.813 -7.703 -3.738) 9.373 17.523 ( -0.219 1.322 2.499) 2.835 17.600 ( -2.394 -0.391 -3.149) 3.975 17.717 ( -4.150 -1.805 2.713) 5.277 17.746 ( -3.980 -1.999 0.523) 4.484 21.281 ( -0.814 6.571 0.787) 6.668 21.346 ( -0.221 5.589 0.062) 5.594 21.547 ( -4.598 -1.886 -1.513) 5.195 21.587 ( -3.314 -2.433 1.132) 4.264 26.958 ( -1.413 -0.064 -1.077) 1.778 26.976 ( -2.252 -0.745 -2.726) 3.613 27.251 ( -7.924 3.012 0.830) 8.518 27.276 ( -8.183 2.270 2.835) 8.953 28.861 ( 0.907 -0.232 -0.680) 1.157 28.880 ( 0.880 -1.121 -0.036) 1.426 29.074 ( -3.169 2.442 -0.184) 4.005 29.092 ( -2.809 1.560 1.135) 3.408 29.644 ( -2.386 2.608 -0.794) 3.622 29.680 ( -1.395 1.113 -0.304) 1.810 30.019 ( -7.553 0.037 -3.188) 8.199 30.045 ( -6.560 -1.467 3.049) 7.381 30.387 ( 1.284 6.262 2.895) 7.018 30.538 ( 3.888 2.251 -0.021) 4.493 30.741 ( 2.187 -1.012 -0.130) 2.413 30.785 ( 1.326 -0.775 1.889) 2.435 30.972 ( 0.479 1.776 -2.189) 2.859 31.144 ( 2.147 -4.430 1.137) 5.052 31.336 ( -0.367 2.163 1.378) 2.591 31.571 ( 4.095 -6.162 -0.779) 7.440 31.744 ( 5.586 5.271 -6.978) 10.377 31.877 ( 8.765 7.198 2.527) 11.620 32.109 ( 9.803 -11.595 -1.575) 15.265 32.345 ( 16.940 -11.942 0.081) 20.726 33.006 ( -3.551 4.191 5.709) 7.923 33.125 ( -2.927 4.717 -3.048) 6.334 33.249 ( 0.212 -2.276 8.034) 8.353 33.561 ( 6.634 -9.847 -8.369) 14.526 ======================= Grid point 100 (48/88) ======================= q-point: ( 0.30 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 5.951 4.340 1.275) 7.475 1.240 ( 5.284 -1.692 -0.582) 5.578 1.339 ( 3.618 0.242 -0.989) 3.759 1.388 ( -1.062 -0.087 -0.388) 1.134 1.607 ( 2.352 5.003 0.082) 5.528 1.680 ( 2.672 3.897 0.529) 4.754 1.813 ( 0.834 -3.832 1.639) 4.250 1.875 ( 4.012 -5.406 -2.292) 7.112 2.030 ( -1.317 0.297 1.662) 2.141 2.185 ( -1.664 1.013 -3.285) 3.819 2.218 ( -2.420 -1.877 -1.429) 3.380 2.291 ( -1.225 -4.072 2.526) 4.946 2.378 ( 2.435 9.688 -2.137) 10.215 2.662 ( -0.908 -5.475 -1.445) 5.735 2.734 ( 6.276 6.193 5.302) 10.288 2.812 ( 1.502 5.684 -6.047) 8.434 2.994 ( 4.195 -5.177 1.585) 6.849 3.114 ( -2.229 -2.038 0.255) 3.031 3.191 ( 4.837 -0.470 0.604) 4.897 3.292 ( 5.618 -3.296 -5.944) 8.818 3.401 ( 7.543 2.491 2.656) 8.376 3.546 ( 4.288 -2.476 5.851) 7.666 3.636 ( 8.960 3.444 -0.466) 9.610 3.719 ( 3.935 4.811 -1.075) 6.308 3.768 ( 5.739 1.968 -1.289) 6.203 3.868 ( 9.768 1.206 0.278) 9.846 3.920 ( 0.324 -2.634 3.044) 4.039 4.186 ( 7.760 -5.067 -3.581) 9.936 4.227 ( 5.512 3.704 0.394) 6.653 4.300 ( 3.796 4.034 -6.933) 8.874 4.362 ( 3.445 -0.761 -2.538) 4.346 4.541 ( -0.755 -1.371 3.180) 3.544 4.631 ( 1.502 -0.793 -0.871) 1.909 4.673 ( 1.125 -0.355 -3.736) 3.918 4.918 ( -0.176 4.649 5.085) 6.892 4.968 ( 0.269 0.420 2.358) 2.410 5.041 ( -3.827 0.691 1.611) 4.209 5.130 ( 5.381 -2.467 -3.574) 6.915 5.214 ( -2.384 -1.816 -0.789) 3.100 5.341 ( -2.447 -4.554 7.183) 8.850 5.631 ( 2.916 2.420 -3.233) 4.981 5.747 ( -0.176 0.667 3.619) 3.684 5.888 ( 3.363 4.439 -4.086) 6.907 6.041 ( -6.381 -2.092 4.960) 8.348 6.186 ( -0.838 2.025 -0.311) 2.213 6.313 ( 1.855 -2.201 -2.032) 3.523 6.519 ( -3.075 -0.561 -6.291) 7.025 6.550 ( -4.262 4.339 -1.847) 6.356 6.944 ( -4.376 4.324 5.063) 7.967 7.011 ( -5.625 7.942 0.379) 9.740 7.285 ( -3.346 5.118 0.687) 6.153 7.495 ( -0.333 0.605 0.251) 0.735 7.674 ( -5.453 -1.650 -1.305) 5.844 7.756 ( -2.071 -3.493 1.608) 4.368 7.847 ( -4.389 -3.636 -1.761) 5.965 7.908 ( -3.570 -5.723 1.739) 6.966 8.351 ( 1.152 2.485 3.958) 4.813 8.462 ( 3.932 0.372 -3.766) 5.457 8.539 ( -0.198 -4.745 4.382) 6.462 8.788 ( 0.863 -5.168 -4.379) 6.829 9.495 ( -1.385 6.918 6.173) 9.374 9.717 ( -1.731 -2.266 -3.752) 4.712 9.780 ( 0.534 8.907 -1.707) 9.085 10.003 ( -2.573 0.181 -0.482) 2.624 10.089 ( -0.754 1.074 0.917) 1.601 10.177 ( 1.592 0.164 -2.179) 2.703 10.327 ( -3.631 2.221 1.973) 4.691 10.463 ( 0.848 -0.515 -3.464) 3.603 10.528 ( -0.920 3.952 -2.115) 4.576 10.834 ( 1.763 -4.216 2.918) 5.422 10.946 ( -0.644 -9.024 3.697) 9.774 11.044 ( 3.777 -7.069 -0.463) 8.028 12.194 ( 1.934 3.151 -0.071) 3.698 12.334 ( -1.113 -2.936 0.535) 3.185 12.390 ( 3.774 2.278 -0.851) 4.489 12.474 ( 0.882 -1.477 -0.527) 1.799 13.795 ( -1.936 -0.226 -0.253) 1.965 13.850 ( -1.637 -2.656 0.749) 3.209 13.904 ( -0.949 1.165 -0.536) 1.595 14.026 ( 0.505 -3.561 -0.554) 3.640 14.525 ( 2.321 -1.308 -0.966) 2.833 14.540 ( 2.414 -2.048 1.573) 3.535 15.022 ( -5.457 3.815 0.299) 6.665 15.131 ( -7.640 0.284 -0.372) 7.655 15.374 ( 0.812 4.654 1.054) 4.841 15.474 ( 0.482 0.425 2.580) 2.659 15.533 ( -0.526 0.517 -0.098) 0.744 15.596 ( 0.172 -2.115 1.083) 2.382 15.626 ( 0.076 2.058 -2.465) 3.212 15.654 ( 0.610 0.767 -0.533) 1.116 15.809 ( -1.940 1.801 1.421) 3.004 15.856 ( -0.625 1.309 -3.053) 3.380 16.355 ( 2.550 5.330 1.394) 6.071 16.411 ( 2.385 0.579 -0.493) 2.504 16.622 ( 0.221 -6.451 -2.452) 6.905 16.636 ( 0.649 -5.783 1.825) 6.099 17.528 ( -1.129 0.634 -1.471) 1.959 17.551 ( -0.082 -0.495 0.282) 0.576 17.655 ( -4.202 -1.737 1.894) 4.926 17.672 ( -4.067 -2.115 0.455) 4.606 21.275 ( 0.001 5.345 -0.074) 5.345 21.344 ( -0.177 5.704 0.347) 5.717 21.461 ( -2.863 -2.624 -1.670) 4.228 21.534 ( -3.265 -2.642 1.133) 4.350 26.887 ( -3.115 1.361 -3.406) 4.812 26.906 ( -2.151 -0.080 -2.644) 3.409 27.161 ( -4.898 2.197 2.820) 6.063 27.180 ( -3.904 1.037 2.831) 4.933 28.874 ( 1.296 -0.050 -1.222) 1.782 28.894 ( 0.826 -0.839 -0.506) 1.281 29.025 ( -2.169 2.061 0.539) 3.040 29.053 ( -2.367 0.852 1.320) 2.841 29.596 ( -1.565 1.900 -1.199) 2.738 29.654 ( -0.518 -0.444 -1.788) 1.914 29.866 ( -6.220 0.821 -1.605) 6.476 29.944 ( -6.541 -2.628 2.896) 7.621 30.444 ( 2.474 5.736 2.340) 6.671 30.622 ( 4.414 -0.587 0.617) 4.496 30.753 ( -0.300 0.681 -0.339) 0.818 30.869 ( 3.637 -2.302 1.696) 4.627 30.945 ( -0.725 5.873 0.345) 5.928 31.195 ( 1.325 -4.616 2.494) 5.412 31.336 ( -0.326 3.835 1.298) 4.062 31.552 ( -2.968 -2.709 -5.807) 7.061 31.789 ( 3.705 6.681 -3.756) 8.513 32.021 ( 5.850 9.542 -0.806) 11.221 32.312 ( 10.248 -10.734 3.381) 15.221 32.606 ( 11.478 -8.160 -2.284) 14.267 32.972 ( -3.717 1.470 3.873) 5.565 33.042 ( -2.240 3.623 -5.240) 6.753 33.334 ( 0.552 -5.181 10.454) 11.681 33.634 ( 7.011 -11.355 -6.821) 14.987 ======================= Grid point 101 (49/88) ======================= q-point: ( 0.40 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 4.317 3.384 2.275) 5.938 1.321 ( 3.128 -0.099 0.172) 3.134 1.365 ( -1.296 -1.032 0.567) 1.751 1.387 ( 2.246 -1.444 -1.339) 2.987 1.675 ( 4.306 3.728 0.086) 5.696 1.739 ( 3.229 3.867 -0.108) 5.039 1.837 ( 0.440 -3.499 2.149) 4.130 1.897 ( -0.807 -5.151 -2.038) 5.598 1.992 ( -2.466 3.083 -0.064) 3.948 2.075 ( -5.706 4.266 -1.181) 7.222 2.208 ( 1.163 -3.002 0.542) 3.265 2.281 ( 0.418 -4.202 0.026) 4.223 2.429 ( 4.328 5.554 -1.455) 7.190 2.641 ( 0.061 -2.245 -0.801) 2.385 2.784 ( -0.692 7.645 2.753) 8.155 2.931 ( 6.428 3.998 4.143) 8.629 3.041 ( -0.556 -2.782 0.525) 2.885 3.107 ( 0.084 -0.332 2.471) 2.495 3.221 ( 1.032 -2.073 -2.344) 3.295 3.327 ( 1.501 -3.706 -3.309) 5.190 3.548 ( 6.326 -0.431 -0.484) 6.359 3.572 ( -3.763 -0.638 4.851) 6.173 3.773 ( 4.825 0.845 0.214) 4.903 3.817 ( 2.401 1.991 0.921) 3.253 3.857 ( 7.846 3.831 0.293) 8.736 3.949 ( 3.187 3.920 1.426) 5.250 4.110 ( 6.598 0.603 2.316) 7.019 4.260 ( 2.432 3.715 -5.289) 6.906 4.285 ( 5.791 0.665 -5.022) 7.694 4.345 ( 1.708 0.837 5.135) 5.476 4.435 ( 5.419 -5.404 -4.615) 8.937 4.553 ( 2.842 5.674 -0.637) 6.378 4.615 ( -3.039 -0.270 4.506) 5.442 4.694 ( 2.444 -2.899 -4.187) 5.648 4.866 ( -8.670 -2.922 4.848) 10.355 4.944 ( -1.152 -2.524 -2.093) 3.476 4.997 ( 1.223 2.121 -4.583) 5.196 5.135 ( -0.274 -2.392 -2.964) 3.818 5.238 ( 1.888 -0.400 -1.383) 2.374 5.379 ( -0.534 -2.366 4.926) 5.491 5.671 ( 2.829 2.499 -1.071) 3.923 5.769 ( -0.523 2.134 3.689) 4.293 5.948 ( 6.525 -2.922 -4.749) 8.582 5.961 ( -5.401 0.228 4.257) 6.881 6.177 ( -0.704 0.763 1.888) 2.155 6.313 ( -3.355 -6.473 3.679) 8.166 6.448 ( 0.575 3.866 -5.405) 6.670 6.495 ( 0.834 5.332 -2.566) 5.976 6.873 ( -6.215 9.197 5.577) 12.422 6.948 ( -1.869 3.582 0.033) 4.041 7.242 ( -1.335 7.225 0.143) 7.349 7.502 ( 1.447 0.082 -1.815) 2.322 7.562 ( -4.888 1.656 -0.987) 5.254 7.725 ( -5.996 -4.695 -1.113) 7.696 7.749 ( -0.568 -1.678 0.638) 1.883 7.867 ( -1.172 -7.997 -1.349) 8.195 8.407 ( 1.394 2.041 3.850) 4.575 8.511 ( 3.689 2.728 -2.755) 5.351 8.555 ( -1.775 -6.150 4.252) 7.684 8.756 ( -0.017 -3.921 -4.566) 6.019 9.512 ( -2.060 3.967 4.922) 6.649 9.660 ( -0.572 -3.463 -4.085) 5.386 9.796 ( 1.347 8.340 0.338) 8.455 9.947 ( -1.827 4.880 -2.050) 5.600 10.114 ( 0.970 -1.691 3.602) 4.096 10.193 ( 0.520 1.246 1.733) 2.197 10.284 ( -2.564 2.685 2.542) 4.500 10.460 ( 1.591 -3.835 -3.006) 5.126 10.504 ( 0.216 4.621 -2.017) 5.047 10.850 ( -0.844 -2.667 -1.720) 3.284 10.945 ( -1.505 -10.122 2.097) 10.446 11.087 ( 2.002 -7.830 -2.524) 8.466 12.226 ( 1.460 2.108 -0.072) 2.566 12.318 ( -1.094 -1.900 0.080) 2.194 12.446 ( 2.040 1.428 0.829) 2.625 12.488 ( 1.156 -0.384 -0.656) 1.383 13.771 ( -0.637 0.165 0.091) 0.664 13.825 ( -1.037 -1.361 -0.375) 1.752 13.898 ( -0.139 -0.316 1.278) 1.324 14.028 ( 0.325 -4.522 -1.181) 4.685 14.582 ( 3.677 0.383 0.177) 3.701 14.606 ( 2.936 -0.544 1.210) 3.222 14.923 ( -4.501 2.978 0.099) 5.398 14.991 ( -6.404 0.808 -0.727) 6.496 15.398 ( 0.705 4.040 0.348) 4.116 15.500 ( 0.255 -0.825 -1.599) 1.817 15.519 ( 0.305 3.235 0.121) 3.252 15.600 ( 0.577 -0.689 0.142) 0.910 15.640 ( 1.215 -0.097 -0.080) 1.221 15.679 ( 1.834 -0.909 1.402) 2.481 15.780 ( -2.562 0.977 1.583) 3.166 15.811 ( -1.400 0.325 -2.160) 2.595 16.414 ( 2.521 4.194 0.965) 4.988 16.443 ( 1.826 0.832 -0.735) 2.137 16.585 ( -2.124 -5.304 -0.817) 5.772 16.646 ( -0.726 -4.614 0.664) 4.717 17.500 ( -0.286 0.831 -0.693) 1.119 17.562 ( 0.425 -1.723 0.169) 1.782 17.596 ( -2.990 -1.301 0.643) 3.324 17.610 ( -2.678 -1.764 0.211) 3.214 21.282 ( 0.805 3.876 -0.122) 3.961 21.338 ( -0.933 4.432 0.235) 4.536 21.424 ( 0.162 -2.299 -0.990) 2.508 21.482 ( -3.004 -1.862 0.666) 3.597 26.837 ( -0.759 1.563 0.327) 1.768 26.865 ( -0.599 0.037 -0.107) 0.610 27.097 ( -3.199 2.134 -0.026) 3.845 27.137 ( -2.233 0.111 -0.571) 2.308 28.891 ( 1.537 -0.004 -1.320) 2.026 28.903 ( 0.497 -0.414 -0.639) 0.909 29.000 ( -1.106 1.618 0.637) 2.060 29.022 ( -1.898 0.649 0.980) 2.232 29.575 ( -0.261 0.919 0.243) 0.986 29.637 ( 0.479 -1.764 -1.724) 2.513 29.773 ( -2.926 0.832 -0.186) 3.048 29.848 ( -5.451 -2.618 1.690) 6.279 30.512 ( 2.855 4.749 2.144) 5.942 30.684 ( -0.912 -3.083 2.819) 4.276 30.754 ( 3.002 2.814 -2.040) 4.593 30.837 ( -2.540 0.340 -3.847) 4.623 31.033 ( 2.944 4.652 5.565) 7.828 31.229 ( 1.189 -2.044 2.841) 3.696 31.356 ( 0.918 -0.132 1.702) 1.938 31.415 ( -5.250 1.077 -6.694) 8.575 31.828 ( 2.365 9.834 -0.522) 10.128 32.084 ( 2.561 12.307 -3.522) 13.055 32.514 ( 6.598 -11.646 6.071) 14.697 32.734 ( 3.738 -0.478 -1.190) 3.952 32.927 ( -2.478 -0.185 -0.887) 2.638 32.983 ( 1.346 -3.560 -6.712) 7.716 33.407 ( -2.070 -5.909 10.943) 12.607 33.705 ( 5.495 -11.732 -5.885) 14.229 ======================= Grid point 102 (50/88) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.779 1.176 1.452) 2.024 1.338 ( -1.978 -0.257 1.840) 2.713 1.355 ( 0.570 1.329 -0.136) 1.453 1.413 ( 1.513 -0.522 -1.006) 1.891 1.731 ( -2.185 1.722 0.383) 2.808 1.757 ( 0.575 1.557 -1.366) 2.150 1.837 ( -1.033 -2.111 1.790) 2.955 1.909 ( 4.415 -3.377 -1.872) 5.865 1.975 ( -2.577 2.907 0.047) 3.885 1.991 ( 1.831 5.868 -0.189) 6.150 2.174 ( -5.730 -4.206 3.753) 8.038 2.333 ( 2.611 -6.648 -2.313) 7.508 2.529 ( 4.957 4.746 2.938) 7.465 2.635 ( 0.180 4.141 -1.888) 4.555 2.824 ( 2.255 5.380 6.513) 8.743 2.992 ( -5.416 3.588 1.093) 6.588 3.055 ( 0.800 0.887 3.345) 3.552 3.087 ( 0.714 -0.835 0.743) 1.326 3.249 ( 2.601 -4.050 -3.760) 6.108 3.308 ( -0.518 -5.041 -1.728) 5.354 3.523 ( -3.109 1.523 1.888) 3.943 3.626 ( 2.630 -2.381 -1.657) 3.916 3.842 ( 0.401 1.203 4.185) 4.373 3.860 ( 0.968 0.963 3.985) 4.213 3.957 ( -2.502 6.592 0.857) 7.102 3.969 ( -1.232 4.170 0.885) 4.437 4.120 ( -1.875 1.468 -0.864) 2.533 4.255 ( 1.363 2.007 -7.618) 7.995 4.353 ( 1.340 -1.194 0.363) 1.831 4.415 ( 0.374 1.752 4.228) 4.592 4.439 ( -1.120 -2.892 -2.138) 3.767 4.611 ( 1.568 2.638 3.298) 4.504 4.659 ( 5.710 3.191 -1.951) 6.826 4.681 ( -0.205 -1.815 -2.495) 3.092 4.770 ( -2.596 -2.503 1.358) 3.853 4.926 ( -0.073 -6.852 -1.005) 6.926 4.987 ( 1.020 1.876 -5.018) 5.453 5.095 ( -1.243 -2.612 -3.665) 4.669 5.232 ( -0.575 -1.097 -0.410) 1.305 5.347 ( -3.450 -2.389 -2.182) 4.730 5.717 ( 1.150 4.186 2.388) 4.955 5.783 ( 0.075 1.957 1.889) 2.721 5.883 ( -5.439 0.209 2.887) 6.162 6.064 ( 7.763 -4.875 -3.339) 9.756 6.179 ( -2.347 0.649 4.743) 5.331 6.262 ( -3.361 -4.850 2.444) 6.387 6.429 ( 0.313 4.896 -1.981) 5.291 6.541 ( 5.542 2.990 -3.969) 7.443 6.842 ( -1.836 9.062 6.318) 11.199 6.927 ( -0.309 3.423 0.518) 3.476 7.244 ( 0.830 8.352 1.463) 8.519 7.452 ( -2.495 5.423 -5.166) 7.895 7.550 ( 2.055 -2.525 0.205) 3.262 7.623 ( -1.150 -2.784 -3.387) 4.532 7.750 ( -1.181 -5.030 2.232) 5.628 7.848 ( 1.099 -6.853 -2.725) 7.457 8.440 ( -1.667 -0.775 3.278) 3.759 8.533 ( -2.304 -2.264 3.961) 5.111 8.560 ( 1.967 1.538 -1.747) 3.048 8.740 ( 2.460 -2.860 -4.475) 5.853 9.487 ( -3.457 2.640 2.910) 5.234 9.646 ( 2.264 -4.334 -3.450) 5.985 9.821 ( 0.345 7.495 1.549) 7.661 9.914 ( -0.026 6.173 -2.494) 6.658 10.164 ( 0.689 -1.476 4.560) 4.842 10.223 ( 0.758 2.495 2.713) 3.762 10.278 ( -0.834 2.899 4.207) 5.177 10.460 ( 0.662 -3.990 -3.114) 5.104 10.525 ( 2.781 1.351 0.912) 3.224 10.772 ( -3.251 1.187 -7.567) 8.321 10.935 ( -1.553 -11.666 2.518) 12.035 11.083 ( 0.362 -8.934 -3.759) 9.699 12.251 ( 0.868 0.933 0.597) 1.407 12.291 ( -1.046 -0.657 -1.029) 1.608 12.465 ( -1.119 1.441 1.551) 2.394 12.512 ( 1.686 -0.405 -0.526) 1.812 13.770 ( 0.091 0.531 0.543) 0.765 13.808 ( -0.182 -0.686 -0.907) 1.151 13.913 ( 0.259 -1.390 2.299) 2.700 14.019 ( 0.033 -4.700 -1.973) 5.098 14.631 ( -0.698 1.317 0.715) 1.653 14.647 ( 0.891 0.909 0.758) 1.482 14.881 ( -0.646 1.636 0.491) 1.827 14.913 ( 0.696 1.086 -0.957) 1.606 15.396 ( -0.736 3.264 -0.117) 3.348 15.460 ( -1.097 1.309 -3.199) 3.627 15.555 ( 1.091 0.260 1.300) 1.716 15.605 ( -0.909 -2.067 -0.528) 2.319 15.658 ( 1.701 1.923 0.640) 2.646 15.715 ( 0.079 0.768 -0.635) 1.000 15.733 ( -2.798 0.333 2.219) 3.587 15.809 ( 2.448 -1.098 -0.446) 2.720 16.442 ( -0.350 1.976 0.380) 2.042 16.466 ( 0.079 2.074 -0.556) 2.148 16.565 ( 0.961 -4.097 1.313) 4.408 16.626 ( -0.859 -4.178 -1.038) 4.390 17.511 ( 1.303 0.519 0.833) 1.631 17.552 ( -1.435 -0.816 -0.825) 1.845 17.574 ( 1.026 -2.025 0.102) 2.273 17.578 ( -1.128 -1.794 0.079) 2.121 21.296 ( -0.224 3.758 0.474) 3.794 21.323 ( 0.358 2.527 -0.580) 2.617 21.433 ( -1.843 -1.040 0.229) 2.129 21.446 ( 1.755 -1.751 -0.247) 2.491 26.861 ( 1.692 1.487 3.308) 4.002 26.889 ( 1.850 0.025 2.743) 3.309 27.040 ( -1.513 1.883 -2.586) 3.539 27.080 ( -2.018 0.066 -3.862) 4.358 28.899 ( -0.280 0.098 -0.789) 0.843 28.909 ( 1.081 -0.322 -1.112) 1.584 28.992 ( -0.528 1.263 0.846) 1.609 29.001 ( -0.401 0.849 0.457) 1.045 29.585 ( 0.355 0.763 1.382) 1.618 29.652 ( 1.727 -2.104 -1.134) 2.949 29.755 ( 1.233 -0.690 0.532) 1.510 29.775 ( -2.642 -1.625 0.247) 3.111 30.573 ( 0.887 3.643 2.577) 4.550 30.649 ( -3.512 -0.208 3.414) 4.902 30.756 ( -1.920 2.572 -4.637) 5.640 30.818 ( 3.726 -0.855 -2.814) 4.747 31.072 ( -1.928 5.536 5.063) 7.746 31.266 ( -2.996 -0.338 0.359) 3.037 31.317 ( 0.939 -0.983 -1.020) 1.699 31.402 ( 4.200 -1.629 -0.126) 4.507 31.876 ( 2.100 12.662 2.239) 13.029 32.064 ( -0.611 13.287 -6.091) 14.630 32.608 ( -2.886 -9.054 6.825) 11.700 32.777 ( 2.406 1.917 1.588) 3.462 32.875 ( -1.480 -0.253 -2.854) 3.225 32.966 ( 2.683 -11.078 -9.570) 14.883 33.415 ( -5.903 -3.727 10.550) 12.650 33.749 ( 3.868 -12.410 -5.198) 13.999 ======================= Grid point 103 (51/88) ======================= q-point: (-0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -4.508 2.765 2.722) 5.948 1.332 ( -1.909 0.619 0.351) 2.037 1.360 ( 0.699 -0.137 -0.889) 1.139 1.420 ( -0.772 -0.679 -0.562) 1.172 1.644 ( -4.009 2.147 -0.057) 4.548 1.758 ( -1.733 4.685 -0.153) 4.997 1.813 ( -1.331 -6.046 0.943) 6.262 1.914 ( -1.399 -1.183 -0.736) 1.974 2.015 ( 1.966 0.496 -0.318) 2.053 2.053 ( 2.993 1.614 -0.413) 3.425 2.107 ( 0.240 -0.913 0.047) 0.945 2.317 ( -2.430 -3.255 0.576) 4.102 2.552 ( -3.078 4.047 -1.218) 5.228 2.648 ( 1.461 -0.730 -1.351) 2.120 2.853 ( -7.378 7.301 0.812) 10.411 2.966 ( 3.788 3.649 6.549) 8.400 3.050 ( -1.814 5.880 0.662) 6.189 3.118 ( 0.194 -5.415 -2.478) 5.959 3.252 ( 1.552 -3.964 -0.720) 4.318 3.305 ( 0.653 -5.243 0.087) 5.284 3.491 ( -2.658 -1.000 2.486) 3.774 3.614 ( -3.810 -3.185 0.720) 5.018 3.787 ( -10.182 5.032 -0.699) 11.379 3.875 ( -3.534 7.776 2.986) 9.049 3.895 ( -3.060 -0.944 4.503) 5.526 3.922 ( -1.385 1.953 2.301) 3.320 4.050 ( -7.431 1.650 -2.361) 7.970 4.192 ( -0.175 -5.698 -8.048) 9.863 4.260 ( -6.332 1.074 -1.255) 6.544 4.349 ( -5.114 -1.500 -1.567) 5.555 4.542 ( 5.903 11.584 0.859) 13.029 4.618 ( -0.713 2.574 -2.034) 3.357 4.661 ( -1.232 -6.451 2.758) 7.123 4.743 ( -1.465 -1.200 4.835) 5.193 4.779 ( 4.002 4.810 -4.216) 7.545 4.889 ( -4.674 -2.550 1.913) 5.658 4.948 ( 1.994 -0.540 -7.141) 7.434 5.065 ( 1.374 -3.055 -2.958) 4.469 5.233 ( -1.167 -4.740 3.443) 5.973 5.278 ( -1.620 -4.446 0.068) 4.733 5.717 ( -2.983 4.791 1.116) 5.753 5.808 ( -1.732 -0.354 -1.212) 2.143 5.828 ( 2.246 2.525 1.961) 3.907 6.120 ( -6.154 -2.128 4.873) 8.133 6.173 ( 4.195 -0.552 -1.153) 4.385 6.276 ( 2.785 -2.562 1.870) 4.221 6.434 ( 2.446 5.711 -3.452) 7.108 6.605 ( 4.581 1.976 -5.156) 7.175 6.883 ( 0.331 6.094 6.516) 8.928 6.958 ( 3.301 4.560 0.984) 5.715 7.286 ( 1.016 7.933 4.665) 9.259 7.375 ( -0.458 5.924 -6.520) 8.821 7.575 ( 3.017 -1.912 -2.497) 4.358 7.685 ( 7.066 -4.346 1.018) 8.358 7.740 ( -0.513 -5.143 0.112) 5.169 7.866 ( 2.293 -6.135 -1.465) 6.711 8.391 ( -5.215 -1.900 2.570) 6.117 8.512 ( -2.103 -8.197 1.843) 8.660 8.580 ( 0.275 7.405 0.261) 7.415 8.775 ( 4.174 -2.668 -4.137) 6.454 9.451 ( -2.390 3.833 3.661) 5.814 9.687 ( 4.217 -4.734 -2.668) 6.878 9.834 ( -0.017 6.989 1.422) 7.132 9.898 ( 0.392 5.911 -2.653) 6.491 10.204 ( -0.407 1.469 5.334) 5.548 10.269 ( 2.668 -0.038 0.717) 2.763 10.296 ( -0.671 4.706 2.757) 5.495 10.444 ( 0.196 -4.784 -3.490) 5.925 10.593 ( -0.476 -2.151 -0.207) 2.213 10.648 ( -0.003 4.509 -4.766) 6.561 10.922 ( -2.017 -10.851 2.786) 11.383 11.052 ( -0.694 -9.724 -2.874) 10.163 12.240 ( -1.860 1.102 -0.088) 2.164 12.297 ( 1.785 -1.286 0.186) 2.208 12.434 ( -2.727 2.724 0.215) 3.860 12.527 ( -0.068 -1.544 -0.152) 1.553 13.778 ( 0.392 1.126 0.330) 1.237 13.809 ( 0.997 -0.837 -0.550) 1.413 13.939 ( 0.332 -2.121 2.463) 3.267 14.001 ( 0.103 -4.379 -2.441) 5.015 14.587 ( -3.509 1.285 0.838) 3.830 14.634 ( -2.318 -0.236 0.627) 2.413 14.913 ( 3.991 3.108 0.012) 5.059 14.989 ( 6.285 1.424 -0.733) 6.486 15.381 ( -1.153 2.656 0.682) 2.975 15.423 ( -0.553 0.886 -1.186) 1.580 15.543 ( -2.012 -0.764 -0.153) 2.157 15.589 ( -0.551 -1.690 0.499) 1.846 15.676 ( -0.755 0.665 -1.787) 2.051 15.715 ( -1.301 0.787 1.577) 2.191 15.728 ( 3.018 3.336 1.004) 4.610 15.863 ( 2.883 -1.303 -0.850) 3.276 16.405 ( -3.138 2.869 0.694) 4.307 16.449 ( -1.499 2.867 -0.454) 3.267 16.590 ( -0.088 -5.007 -0.918) 5.091 16.638 ( 2.725 -4.494 0.748) 5.309 17.522 ( -0.603 -0.816 -1.358) 1.695 17.560 ( 0.285 -1.932 0.242) 1.968 17.572 ( 2.747 -0.343 1.313) 3.064 17.607 ( 2.355 -1.341 0.136) 2.713 21.279 ( -1.137 3.899 -0.128) 4.063 21.340 ( 0.493 4.642 0.298) 4.678 21.411 ( 0.594 -2.309 -0.834) 2.526 21.495 ( 2.917 -2.281 0.452) 3.730 26.932 ( 1.432 0.707 1.375) 2.107 26.938 ( 0.748 0.292 -0.157) 0.818 27.025 ( 1.113 1.547 -2.462) 3.113 27.036 ( 3.539 1.199 0.870) 3.837 28.880 ( -0.874 0.249 -1.028) 1.372 28.907 ( -0.551 -0.811 -0.895) 1.327 28.998 ( 0.977 1.740 0.586) 2.080 29.019 ( 1.337 0.744 1.007) 1.832 29.599 ( 0.177 0.941 0.647) 1.156 29.647 ( -0.577 -1.186 -2.375) 2.717 29.778 ( 3.142 -0.066 -0.612) 3.201 29.838 ( 5.934 -2.626 2.322) 6.892 30.550 ( -4.907 3.750 4.332) 7.544 30.623 ( -2.451 0.684 -0.889) 2.696 30.719 ( 1.108 2.062 -0.527) 2.399 30.832 ( 0.304 -1.287 -3.168) 3.433 31.083 ( -1.571 5.391 6.939) 8.926 31.237 ( 1.066 4.192 -1.928) 4.736 31.298 ( -2.582 -2.286 1.032) 3.599 31.495 ( 5.212 -5.904 -2.962) 8.414 31.928 ( 0.345 13.313 1.261) 13.377 31.980 ( -2.373 9.608 -5.304) 11.229 32.542 ( -8.730 -3.815 6.594) 11.587 32.794 ( -4.587 -5.616 -2.820) 7.780 32.842 ( 1.528 -2.573 -0.160) 2.997 32.946 ( 3.049 -7.275 -6.254) 10.067 33.358 ( -7.339 0.882 8.411) 11.197 33.770 ( 1.851 -13.937 -3.750) 14.551 ======================= Grid point 104 (52/88) ======================= q-point: (-0.30 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -5.500 2.522 3.033) 6.768 1.269 ( -5.819 2.694 -1.778) 6.654 1.311 ( -4.494 0.665 -1.369) 4.745 1.387 ( -0.712 -2.906 -0.406) 3.019 1.613 ( 0.086 3.800 0.465) 3.829 1.716 ( -2.158 4.916 0.392) 5.383 1.810 ( -0.060 -6.008 0.691) 6.048 1.880 ( -1.119 -0.176 -0.550) 1.259 1.986 ( -1.318 -0.461 -0.084) 1.399 2.125 ( 1.117 0.955 -2.385) 2.802 2.131 ( 2.866 -3.805 -0.906) 4.849 2.278 ( -2.876 -2.640 1.582) 4.213 2.446 ( -5.196 7.050 -2.563) 9.125 2.627 ( -3.758 -1.427 -0.181) 4.024 2.764 ( -2.376 4.260 1.460) 5.092 2.920 ( -7.410 7.108 -0.326) 10.273 3.008 ( -3.745 -3.353 -2.531) 5.628 3.136 ( -1.137 0.001 2.012) 2.311 3.210 ( -6.102 -2.115 -1.868) 6.723 3.328 ( 0.306 -5.478 -2.800) 6.159 3.452 ( -4.500 -2.429 4.025) 6.508 3.528 ( -5.006 -4.151 5.888) 8.773 3.581 ( -9.039 1.628 -1.657) 9.333 3.764 ( -5.307 6.893 -1.561) 8.839 3.780 ( -13.533 1.576 -3.300) 14.018 3.884 ( -2.560 2.421 1.549) 3.849 3.967 ( -0.518 -0.892 5.592) 5.687 4.122 ( -3.595 4.029 -3.634) 6.508 4.164 ( -2.955 -4.845 -3.269) 6.549 4.254 ( -0.419 -3.278 -5.990) 6.842 4.542 ( -3.906 5.580 -0.681) 6.845 4.605 ( 2.530 3.667 -3.643) 5.755 4.643 ( -5.864 -3.050 -3.674) 7.562 4.711 ( -2.883 1.781 6.207) 7.072 4.765 ( -4.376 2.090 2.527) 5.468 4.902 ( 6.206 4.583 -0.061) 7.715 4.982 ( 2.119 -0.265 2.340) 3.169 5.081 ( 2.634 -2.161 -3.013) 4.548 5.244 ( 0.001 -5.404 2.186) 5.830 5.262 ( -3.407 -9.485 5.696) 11.577 5.647 ( -3.715 6.260 0.632) 7.307 5.774 ( 0.771 -1.310 -5.593) 5.796 5.914 ( 5.007 2.168 0.434) 5.473 6.025 ( -7.851 4.536 6.790) 11.327 6.237 ( 3.853 -0.521 -1.689) 4.239 6.347 ( 2.662 0.228 0.451) 2.709 6.472 ( 5.227 3.394 -4.758) 7.841 6.635 ( 3.558 0.294 -6.420) 7.346 6.945 ( 1.415 4.512 5.268) 7.079 7.060 ( 6.200 4.310 1.061) 7.625 7.319 ( -0.870 7.595 1.243) 7.745 7.385 ( 4.475 3.944 1.528) 6.157 7.641 ( 5.584 -2.304 -1.591) 6.247 7.736 ( 0.817 -4.604 -2.021) 5.094 7.848 ( 7.612 -7.569 1.879) 10.898 7.917 ( 4.391 -2.860 0.610) 5.275 8.310 ( -4.747 -1.493 1.991) 5.360 8.489 ( -1.930 -9.395 2.137) 9.826 8.562 ( -2.108 5.522 -0.158) 5.912 8.808 ( 2.134 -3.500 -3.980) 5.713 9.464 ( -0.186 6.577 5.778) 8.757 9.732 ( 2.166 -2.005 -3.245) 4.387 9.852 ( 2.749 5.776 -3.795) 7.438 9.902 ( 1.040 5.653 2.070) 6.109 10.222 ( -2.709 2.059 4.550) 5.682 10.300 ( 0.901 3.299 -0.911) 3.539 10.313 ( 2.060 -0.826 -3.271) 3.953 10.384 ( -2.908 -0.811 -5.460) 6.239 10.513 ( -0.231 0.897 -2.544) 2.707 10.730 ( 2.476 -2.708 5.882) 6.933 10.904 ( -1.965 -8.933 2.924) 9.602 11.023 ( -0.885 -9.159 -0.247) 9.205 12.204 ( -1.725 2.586 0.002) 3.108 12.334 ( 1.241 -2.034 0.408) 2.417 12.373 ( -2.946 2.815 -0.867) 4.166 12.505 ( -1.945 -2.369 -0.446) 3.098 13.795 ( 1.431 1.162 -0.138) 1.849 13.835 ( 1.880 -0.841 0.189) 2.069 13.954 ( -0.071 -2.240 0.605) 2.322 13.996 ( 1.022 -4.231 -1.264) 4.533 14.526 ( -3.236 0.977 0.141) 3.383 14.604 ( -0.841 -1.925 0.465) 2.152 15.006 ( 5.276 3.816 0.316) 6.520 15.114 ( 7.359 1.577 -0.288) 7.531 15.359 ( -1.207 4.148 0.852) 4.403 15.438 ( 1.654 0.720 1.909) 2.627 15.517 ( -0.460 -0.158 -0.071) 0.492 15.581 ( -0.697 -0.709 0.574) 1.148 15.660 ( 0.712 -0.335 -1.803) 1.967 15.700 ( -0.397 -0.494 -0.253) 0.682 15.786 ( 1.661 4.038 0.764) 4.432 15.890 ( 1.239 -0.326 -2.070) 2.434 16.357 ( -2.802 2.940 1.612) 4.369 16.404 ( -2.481 5.239 -0.676) 5.836 16.572 ( -1.400 -6.842 -0.676) 7.016 16.681 ( 0.908 -5.553 0.036) 5.627 17.494 ( -1.035 -0.095 -1.086) 1.503 17.576 ( 1.668 -3.166 0.191) 3.584 17.655 ( 3.822 -0.353 1.059) 3.982 17.667 ( 4.112 -0.699 0.993) 4.287 21.261 ( -0.572 4.734 -0.066) 4.769 21.335 ( -0.894 5.504 0.224) 5.580 21.448 ( 3.616 -1.954 -1.073) 4.248 21.558 ( 3.346 -2.782 0.641) 4.398 26.899 ( -1.494 0.628 -3.785) 4.118 26.920 ( 0.139 -0.297 -3.134) 3.152 27.140 ( 7.704 3.041 3.639) 9.047 27.163 ( 7.449 1.712 2.877) 8.167 28.856 ( -0.791 -0.030 -0.983) 1.262 28.883 ( -1.167 -0.962 -0.527) 1.602 29.034 ( 2.261 2.227 0.405) 3.199 29.062 ( 2.296 0.841 1.216) 2.731 29.598 ( -0.150 0.873 -0.924) 1.280 29.625 ( 0.231 0.075 -1.732) 1.749 29.862 ( 5.949 1.624 -0.728) 6.209 29.985 ( 7.423 -3.524 1.584) 8.368 30.487 ( -5.278 4.737 4.446) 8.370 30.553 ( -3.043 1.943 -1.666) 3.976 30.747 ( 0.772 -0.455 0.436) 0.996 30.808 ( -0.867 -1.191 0.253) 1.495 31.096 ( -2.479 6.229 3.968) 7.791 31.227 ( -0.267 4.905 -2.474) 5.500 31.300 ( 0.884 -1.821 4.295) 4.748 31.525 ( 1.725 -8.076 -5.831) 10.109 31.820 ( -5.905 6.670 -6.444) 10.994 31.965 ( -1.923 7.048 1.794) 7.522 32.385 ( -12.291 -5.452 3.508) 13.896 32.615 ( -11.188 -11.193 -3.530) 16.215 32.870 ( 2.041 1.676 0.281) 2.656 33.005 ( 4.599 -3.113 1.283) 5.700 33.288 ( -5.204 4.744 4.750) 8.493 33.753 ( -0.925 -15.278 -3.501) 15.701 ======================= Grid point 105 (53/88) ======================= q-point: (-0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -9.309 8.922 -2.872) 13.210 1.139 ( -3.727 4.843 2.309) 6.533 1.244 ( -2.389 2.003 -1.233) 3.353 1.396 ( 1.746 -5.696 0.217) 5.961 1.609 ( -1.937 4.158 0.180) 4.591 1.689 ( -1.304 2.765 1.278) 3.314 1.797 ( -0.568 -0.704 -5.353) 5.429 1.867 ( -1.284 -1.703 2.172) 3.044 1.971 ( -1.865 -0.974 2.950) 3.623 2.074 ( -4.455 1.306 -0.408) 4.660 2.155 ( -3.517 -2.063 1.060) 4.213 2.200 ( -1.735 -5.859 -1.055) 6.201 2.401 ( 1.662 7.369 -1.677) 7.738 2.526 ( -6.326 6.070 3.657) 9.500 2.722 ( -10.203 8.442 -1.438) 13.320 2.763 ( -1.404 -4.835 -1.059) 5.145 2.909 ( -6.229 -5.568 1.117) 8.429 2.989 ( -12.491 -3.527 0.587) 12.993 3.050 ( -8.133 -1.408 1.475) 8.384 3.281 ( -1.993 -2.332 -3.562) 4.701 3.383 ( -9.120 1.374 1.861) 9.409 3.415 ( -1.417 2.011 -4.441) 5.077 3.571 ( -0.496 -3.982 2.902) 4.953 3.576 ( -1.419 -2.926 1.317) 3.509 3.672 ( -3.682 5.689 -1.269) 6.895 3.856 ( -2.905 1.638 -0.025) 3.335 3.941 ( -2.702 -1.428 0.185) 3.062 4.042 ( -0.007 1.180 -3.646) 3.832 4.125 ( -1.815 -3.678 0.106) 4.103 4.191 ( -1.091 -2.756 -9.147) 9.615 4.435 ( -8.305 3.503 0.470) 9.026 4.508 ( -4.181 0.441 -3.102) 5.225 4.608 ( -6.181 0.042 1.918) 6.471 4.652 ( 3.026 5.922 -1.586) 6.837 4.748 ( -2.503 3.055 4.874) 6.273 4.946 ( -1.230 9.078 -1.293) 9.252 5.047 ( -0.151 -5.452 2.312) 5.924 5.170 ( 8.514 1.367 -2.476) 8.972 5.221 ( -4.756 -13.922 9.579) 17.555 5.273 ( 2.329 -1.486 -1.506) 3.146 5.633 ( 1.551 4.876 1.716) 5.397 5.736 ( -1.112 1.502 -2.611) 3.211 5.912 ( -5.461 7.700 1.949) 9.639 6.039 ( 5.643 0.757 0.712) 5.738 6.310 ( 4.453 1.811 0.667) 4.854 6.368 ( 1.022 4.105 -3.186) 5.296 6.533 ( 2.863 1.191 -3.077) 4.368 6.649 ( 4.513 -3.132 -7.948) 9.662 7.014 ( 1.028 3.406 5.960) 6.941 7.186 ( 6.620 2.261 -0.620) 7.022 7.321 ( -0.024 7.727 1.996) 7.980 7.494 ( 4.525 -0.443 1.810) 4.894 7.739 ( 0.772 -4.549 -1.054) 4.733 7.759 ( 6.946 -3.325 1.078) 7.776 7.956 ( 4.693 -6.636 -0.415) 8.138 8.061 ( 7.953 -1.366 1.569) 8.220 8.255 ( -2.755 -0.998 2.168) 3.645 8.465 ( -2.253 -4.064 0.528) 4.677 8.512 ( -3.185 -2.286 1.405) 4.164 8.787 ( -0.918 -4.812 -3.927) 6.278 9.519 ( 0.520 8.942 6.358) 10.984 9.726 ( 0.886 -0.024 -4.054) 4.150 9.871 ( 4.023 7.857 -6.682) 11.070 9.961 ( 1.442 3.893 4.144) 5.866 10.134 ( -5.732 1.761 -4.524) 7.511 10.273 ( 0.658 0.772 -5.604) 5.696 10.321 ( 0.433 -0.577 1.376) 1.553 10.365 ( 0.774 3.151 2.115) 3.873 10.527 ( 0.483 -2.443 2.186) 3.314 10.780 ( -0.624 -6.271 2.250) 6.691 10.903 ( -1.144 -5.470 3.445) 6.565 11.017 ( -0.239 -6.864 1.212) 6.975 12.175 ( -1.346 4.279 -0.141) 4.488 12.288 ( -3.612 4.548 -1.100) 5.911 12.369 ( 0.584 -4.275 -0.385) 4.331 12.462 ( -1.775 -2.748 0.007) 3.271 13.827 ( 1.893 0.695 -0.042) 2.017 13.885 ( 3.181 -0.629 0.438) 3.272 13.962 ( 1.377 -1.564 -0.352) 2.113 14.009 ( 1.028 -4.376 -1.062) 4.619 14.475 ( -2.063 0.878 -0.115) 2.245 14.611 ( 1.453 -4.791 -0.559) 5.038 15.108 ( 5.200 3.515 0.701) 6.315 15.245 ( 5.552 -1.716 0.440) 5.827 15.384 ( 3.590 8.826 1.470) 9.641 15.493 ( 1.300 1.236 1.812) 2.549 15.521 ( 1.053 0.417 0.455) 1.220 15.581 ( 1.080 1.804 -0.313) 2.126 15.673 ( 1.897 -1.818 -1.026) 2.821 15.702 ( 0.992 -2.529 -0.407) 2.747 15.791 ( -0.716 5.139 -1.363) 5.364 15.883 ( 0.010 1.533 -2.307) 2.770 16.329 ( -1.799 0.977 2.350) 3.116 16.356 ( -2.227 4.739 -0.340) 5.247 16.517 ( -4.009 -7.227 -0.419) 8.275 16.661 ( -2.584 -6.259 -1.544) 6.945 17.482 ( 0.006 1.896 1.134) 2.209 17.617 ( 2.833 -3.108 -0.841) 4.289 17.732 ( 3.713 -0.491 0.821) 3.834 17.759 ( 3.890 -1.131 1.588) 4.351 21.260 ( 0.377 5.447 0.674) 5.501 21.320 ( -0.768 5.468 0.200) 5.525 21.519 ( 4.456 -0.531 -0.684) 4.540 21.626 ( 3.398 -2.522 0.307) 4.243 26.858 ( -0.465 1.414 -1.267) 1.955 26.911 ( 0.842 -1.055 -1.317) 1.886 27.307 ( 7.545 3.842 1.167) 8.547 27.363 ( 11.927 2.882 1.283) 12.337 28.838 ( -0.411 -0.479 -0.520) 0.818 28.859 ( -1.019 -1.060 -0.080) 1.472 29.086 ( 2.848 2.873 0.253) 4.054 29.124 ( 3.663 1.236 0.586) 3.910 29.596 ( 0.962 1.540 -0.543) 1.895 29.625 ( 0.542 0.647 -0.308) 0.899 29.981 ( 7.036 2.590 -0.492) 7.514 30.124 ( 6.527 -3.515 0.026) 7.413 30.419 ( -5.355 6.006 3.570) 8.803 30.497 ( -1.797 2.635 -0.732) 3.273 30.750 ( -0.200 -1.582 0.005) 1.594 30.803 ( -1.048 -3.941 1.833) 4.471 31.051 ( -1.854 9.295 -2.734) 9.864 31.201 ( -3.249 3.629 1.791) 5.190 31.359 ( 1.026 -1.736 4.903) 5.302 31.485 ( -0.893 -8.124 -5.605) 9.910 31.658 ( -6.793 1.638 -2.737) 7.505 31.885 ( -7.112 0.980 -1.149) 7.271 32.139 ( -14.618 -9.076 -1.118) 17.242 32.343 ( -15.546 -10.271 0.222) 18.634 32.927 ( 2.106 4.830 3.298) 6.216 33.114 ( 4.244 -2.457 3.707) 6.148 33.243 ( -1.744 6.375 0.628) 6.639 33.677 ( -3.443 -14.176 -5.266) 15.509 ======================= Grid point 106 (54/88) ======================= q-point: (-0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -4.632 14.430 -0.375) 15.160 1.091 ( -4.869 13.372 3.983) 14.777 1.198 ( -0.273 2.101 -3.751) 4.308 1.431 ( 0.057 -2.318 0.049) 2.319 1.551 ( -2.265 1.839 2.368) 3.758 1.675 ( -2.813 1.049 -1.487) 3.350 1.718 ( -1.019 1.157 -3.652) 3.964 1.836 ( -2.848 -3.188 -0.102) 4.276 1.937 ( -5.392 1.483 1.462) 5.780 1.995 ( -1.694 5.400 2.966) 6.390 2.069 ( -4.923 -2.421 3.893) 6.726 2.229 ( 3.364 -4.632 -2.178) 6.125 2.404 ( 0.056 2.679 -0.011) 2.680 2.495 ( -3.895 5.673 1.792) 7.111 2.548 ( -3.831 1.291 1.671) 4.374 2.700 ( -2.732 0.444 1.152) 2.998 2.786 ( -6.413 -0.827 -0.076) 6.466 2.868 ( -4.050 -8.714 6.654) 11.688 2.953 ( -4.546 -5.322 5.407) 8.844 3.180 ( -5.375 -0.793 -3.110) 6.260 3.242 ( -2.906 4.223 -1.377) 5.308 3.440 ( 4.121 1.532 -2.486) 5.051 3.564 ( 0.275 0.584 0.845) 1.063 3.601 ( -3.665 4.484 1.200) 5.914 3.622 ( 3.032 -7.449 -6.503) 10.343 3.777 ( -3.857 -0.160 1.793) 4.256 3.949 ( 2.353 3.528 -2.435) 4.890 3.995 ( -6.470 -3.095 -1.760) 7.385 4.037 ( -0.770 -4.801 -1.216) 5.012 4.146 ( 2.889 -1.535 -6.193) 7.004 4.297 ( -4.823 5.418 0.494) 7.270 4.393 ( -6.640 -3.066 -1.140) 7.402 4.577 ( 1.808 5.047 -1.883) 5.682 4.678 ( -0.215 7.052 -0.556) 7.077 4.719 ( -3.740 2.518 3.701) 5.833 4.906 ( -1.655 6.611 0.658) 6.847 5.011 ( -3.389 -1.781 -1.350) 4.060 5.158 ( -2.419 -9.359 -0.448) 9.677 5.261 ( 0.412 1.061 2.047) 2.342 5.401 ( 8.208 -8.388 -0.347) 11.741 5.663 ( 0.061 -0.447 1.829) 1.883 5.746 ( 0.269 6.320 1.431) 6.486 5.867 ( 0.839 14.024 4.209) 14.666 6.150 ( 7.449 -3.187 -5.263) 9.661 6.336 ( -2.706 4.766 0.448) 5.499 6.390 ( 0.572 1.045 2.100) 2.415 6.522 ( 1.272 3.786 -5.497) 6.795 6.692 ( 6.528 -5.765 -9.260) 12.712 7.065 ( -1.389 2.915 8.452) 9.048 7.271 ( 0.958 6.864 0.556) 6.953 7.362 ( 4.772 -0.937 -0.148) 4.866 7.556 ( 0.947 -3.324 0.417) 3.481 7.753 ( 0.671 -5.290 1.733) 5.607 7.884 ( 3.444 -5.328 2.083) 6.678 8.041 ( 5.428 -2.685 -2.535) 6.565 8.178 ( 3.152 -0.885 -3.971) 5.147 8.247 ( -0.533 -2.293 6.433) 6.850 8.402 ( -3.208 5.926 -1.571) 6.920 8.486 ( -1.446 -10.622 2.958) 11.120 8.728 ( -1.433 -5.465 -4.342) 7.126 9.567 ( -0.557 10.244 5.608) 11.691 9.717 ( 1.401 0.688 -3.206) 3.566 9.914 ( 5.018 5.315 -4.660) 8.669 9.959 ( -3.638 6.745 0.081) 7.664 10.048 ( 0.719 2.596 -0.991) 2.870 10.261 ( 1.430 1.039 -3.861) 4.247 10.339 ( -0.136 -2.026 2.890) 3.532 10.402 ( 0.372 0.946 3.963) 4.091 10.535 ( -2.428 -3.465 3.646) 5.585 10.764 ( -0.791 -3.614 -1.668) 4.058 10.895 ( -1.666 -5.748 1.472) 6.163 11.015 ( -0.789 -5.179 -0.771) 5.295 12.153 ( -0.624 6.175 -0.349) 6.216 12.219 ( -2.396 4.971 -1.317) 5.673 12.362 ( -0.640 -3.834 0.711) 3.952 12.450 ( -0.129 -4.063 0.157) 4.068 13.860 ( 1.290 0.107 0.751) 1.497 13.951 ( 3.151 -0.571 0.145) 3.205 13.999 ( 1.193 -0.773 0.735) 1.601 14.016 ( 1.921 -3.670 -2.729) 4.961 14.450 ( -0.848 0.057 0.623) 1.054 14.635 ( 1.719 -8.700 -2.578) 9.235 15.220 ( 6.309 3.271 0.576) 7.130 15.322 ( 2.191 -1.335 1.035) 2.766 15.444 ( 0.106 4.517 -1.341) 4.713 15.503 ( -0.381 1.469 0.123) 1.522 15.563 ( 2.418 3.432 0.524) 4.231 15.622 ( 2.646 1.382 0.546) 3.034 15.707 ( 0.191 -1.222 -3.275) 3.501 15.718 ( 2.128 -2.520 -1.919) 3.816 15.796 ( 3.833 4.486 -0.237) 5.905 15.884 ( 3.263 2.759 0.418) 4.293 16.258 ( -6.381 -2.798 -2.305) 7.339 16.353 ( -0.288 0.248 3.981) 3.999 16.430 ( -3.623 -3.198 -1.654) 5.108 16.570 ( -4.659 -4.367 -2.130) 6.732 17.512 ( 1.081 3.195 2.823) 4.399 17.663 ( 2.946 -2.347 -1.825) 4.185 17.791 ( 1.427 -0.981 0.637) 1.845 17.825 ( 1.867 -1.376 0.987) 2.521 21.285 ( 1.009 4.900 1.615) 5.257 21.312 ( -0.318 6.126 0.853) 6.193 21.595 ( 3.479 0.121 0.365) 3.500 21.686 ( 2.696 -1.667 -0.312) 3.185 26.869 ( 0.710 1.074 3.384) 3.621 26.931 ( 1.213 -1.490 1.159) 2.244 27.430 ( 5.260 5.649 -1.279) 7.824 27.596 ( 11.955 -0.043 -3.589) 12.482 28.834 ( 0.080 -0.901 0.169) 0.920 28.845 ( -0.565 -1.031 0.320) 1.218 29.136 ( 2.152 3.647 -0.148) 4.237 29.206 ( 4.757 0.714 -1.637) 5.082 29.622 ( 1.190 2.280 0.946) 2.740 29.665 ( 3.800 0.749 2.718) 4.732 30.110 ( 6.198 2.179 0.671) 6.604 30.221 ( 3.907 -2.581 -1.014) 4.791 30.349 ( -4.170 7.228 3.002) 8.869 30.478 ( -0.075 2.810 0.376) 2.837 30.747 ( 0.057 -3.974 -0.388) 3.993 30.787 ( -1.654 -5.382 0.414) 5.646 31.013 ( 1.222 8.394 -4.654) 9.675 31.101 ( -8.002 3.113 -1.056) 8.651 31.376 ( -3.534 -3.696 0.744) 5.168 31.441 ( 0.531 -2.878 0.792) 3.032 31.543 ( -5.054 -0.536 -0.276) 5.090 31.700 ( -10.009 -8.539 -0.032) 13.157 31.841 ( -14.863 -2.826 0.735) 15.147 32.088 ( -10.404 -10.205 0.308) 14.577 32.982 ( 0.385 5.478 4.347) 7.004 33.186 ( -1.373 -3.621 6.000) 7.141 33.234 ( 1.825 8.044 -3.086) 8.807 33.572 ( -1.442 -8.475 -7.067) 11.129 ======================= Grid point 107 (55/88) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -0.683 -6.040 -4.415) 7.513 1.097 ( -0.683 6.040 -4.415) 7.513 1.410 ( 0.204 -10.003 5.545) 11.439 1.410 ( 0.204 10.003 5.545) 11.439 1.533 ( -0.766 -5.521 1.248) 5.712 1.533 ( -0.766 5.521 1.248) 5.712 1.713 ( -0.786 -8.418 -6.778) 10.836 1.713 ( -0.786 8.418 -6.778) 10.836 1.954 ( 0.468 -5.282 5.031) 7.309 1.954 ( 0.468 5.282 5.031) 7.309 2.137 ( 2.069 -6.629 -2.817) 7.494 2.137 ( 2.069 6.629 -2.817) 7.494 2.474 ( -0.479 -2.909 1.366) 3.249 2.474 ( -0.479 2.909 1.366) 3.249 2.653 ( -0.978 -9.047 9.069) 12.847 2.653 ( -0.978 9.047 9.069) 12.847 2.748 ( -0.454 -2.786 6.586) 7.165 2.748 ( -0.454 2.786 6.586) 7.165 3.027 ( 1.289 -8.732 -1.466) 8.948 3.027 ( 1.289 8.732 -1.466) 8.948 3.323 ( -0.303 -10.415 -9.294) 13.962 3.323 ( -0.303 10.415 -9.294) 13.962 3.509 ( -1.973 -2.554 -3.711) 4.918 3.509 ( -1.973 2.554 -3.711) 4.918 3.760 ( 0.712 -6.674 5.771) 8.851 3.760 ( 0.712 6.674 5.771) 8.851 3.916 ( 1.433 -2.673 0.961) 3.181 3.916 ( 1.433 2.673 0.961) 3.181 4.145 ( 5.625 -4.335 -1.413) 7.242 4.145 ( 5.625 4.335 -1.413) 7.242 4.254 ( -2.656 -1.738 -5.442) 6.300 4.254 ( -2.656 1.738 -5.442) 6.300 4.715 ( 0.965 -3.780 -0.409) 3.923 4.715 ( 0.965 3.780 -0.409) 3.923 4.801 ( -3.242 -8.137 1.251) 8.848 4.801 ( -3.242 8.137 1.251) 8.848 4.993 ( -1.191 -2.222 3.755) 4.523 4.993 ( -1.191 2.222 3.755) 4.523 5.328 ( 1.326 -3.825 -2.391) 4.702 5.328 ( 1.326 3.825 -2.391) 4.702 5.789 ( 1.535 -3.655 0.112) 3.965 5.789 ( 1.535 3.655 0.112) 3.965 6.073 ( -0.641 -6.605 -1.122) 6.730 6.073 ( -0.641 6.605 -1.122) 6.730 6.360 ( -3.485 -3.305 3.079) 5.705 6.360 ( -3.485 3.305 3.079) 5.705 6.634 ( 4.998 -4.849 -8.617) 11.079 6.634 ( 4.998 4.849 -8.617) 11.079 7.233 ( -0.588 -9.289 6.289) 11.233 7.233 ( -0.588 9.289 6.289) 11.233 7.465 ( 0.900 -7.476 -4.146) 8.596 7.465 ( 0.900 7.476 -4.146) 8.596 7.769 ( -2.648 -4.309 6.417) 8.170 7.769 ( -2.648 4.309 6.417) 8.170 8.087 ( -1.439 -3.125 -4.954) 6.032 8.087 ( -1.439 3.125 -4.954) 6.032 8.296 ( -0.293 -3.474 2.653) 4.381 8.296 ( -0.293 3.474 2.653) 4.381 8.563 ( 1.160 -7.194 -1.478) 7.436 8.563 ( 1.160 7.194 -1.478) 7.436 9.724 ( 0.277 -3.179 1.751) 3.640 9.724 ( 0.277 3.179 1.751) 3.640 10.005 ( 0.736 -5.756 -1.812) 6.079 10.005 ( 0.736 5.756 -1.812) 6.079 10.201 ( 1.470 -7.196 1.708) 7.541 10.201 ( 1.470 7.196 1.708) 7.541 10.376 ( -0.093 -6.637 -0.508) 6.657 10.376 ( -0.093 6.637 -0.508) 6.657 10.585 ( -0.696 -11.076 4.202) 11.867 10.585 ( -0.696 11.076 4.202) 11.867 10.865 ( -1.677 -5.112 -4.807) 7.214 10.865 ( -1.677 5.112 -4.807) 7.214 12.276 ( 0.788 -3.000 0.670) 3.174 12.276 ( 0.788 3.000 0.670) 3.174 12.324 ( -0.459 -5.662 -0.370) 5.693 12.324 ( -0.459 5.662 -0.370) 5.693 13.911 ( -0.350 -2.900 0.413) 2.950 13.911 ( -0.350 2.900 0.413) 2.950 14.021 ( 0.602 -0.910 -0.052) 1.092 14.021 ( 0.602 0.910 -0.052) 1.092 14.478 ( -0.362 -4.055 -1.035) 4.200 14.478 ( -0.362 4.055 -1.035) 4.200 15.336 ( -2.084 -1.023 0.935) 2.503 15.336 ( -2.084 1.023 0.935) 2.503 15.470 ( 1.072 -1.454 0.296) 1.831 15.470 ( 1.072 1.454 0.296) 1.831 15.654 ( 0.129 -1.024 -1.163) 1.555 15.654 ( 0.129 1.024 -1.163) 1.555 15.692 ( 0.672 -2.915 -1.976) 3.585 15.692 ( 0.672 2.915 -1.976) 3.585 15.893 ( 0.600 -3.027 -2.320) 3.860 15.893 ( 0.600 3.027 -2.320) 3.860 16.229 ( 0.327 -2.690 1.122) 2.933 16.229 ( 0.327 2.690 1.122) 2.933 16.455 ( 0.189 -2.097 -1.240) 2.444 16.455 ( 0.189 2.097 -1.240) 2.444 17.619 ( -0.372 -4.300 1.628) 4.613 17.619 ( -0.372 4.300 1.628) 4.613 17.805 ( -0.651 -1.596 -0.877) 1.934 17.805 ( -0.651 1.596 -0.877) 1.934 21.373 ( -0.018 -1.607 2.197) 2.722 21.373 ( -0.018 1.607 2.197) 2.722 21.664 ( -0.051 -2.393 -0.579) 2.462 21.664 ( -0.051 2.393 -0.579) 2.462 26.937 ( 0.687 -1.358 3.841) 4.131 26.937 ( 0.687 1.358 3.841) 4.131 27.578 ( -0.707 -4.987 -4.969) 7.076 27.578 ( -0.707 4.987 -4.969) 7.076 28.833 ( 0.286 -0.111 0.648) 0.717 28.833 ( 0.286 0.111 0.648) 0.717 29.212 ( -0.177 -1.846 -2.036) 2.754 29.212 ( -0.177 1.846 -2.036) 2.754 29.715 ( 0.821 -2.169 2.846) 3.672 29.715 ( 0.821 2.169 2.846) 3.672 30.221 ( 0.031 -1.750 0.069) 1.752 30.221 ( 0.031 1.750 0.069) 1.752 30.466 ( -1.361 -5.329 3.464) 6.500 30.466 ( -1.361 5.329 3.464) 6.500 30.680 ( 0.083 -1.771 -1.508) 2.327 30.680 ( 0.083 1.771 -1.508) 2.327 31.015 ( -1.421 -3.231 -3.833) 5.211 31.015 ( -1.421 3.231 -3.833) 5.211 31.383 ( -0.146 -2.392 -0.010) 2.397 31.383 ( -0.146 2.392 -0.010) 2.397 31.543 ( 4.372 -4.551 4.872) 7.972 31.543 ( 4.372 4.551 4.872) 7.972 31.769 ( -1.888 -7.073 -2.387) 7.700 31.769 ( -1.888 7.073 -2.387) 7.700 33.116 ( -1.560 -4.945 5.706) 7.711 33.116 ( -1.560 4.945 5.706) 7.711 33.393 ( 1.185 -7.746 -5.316) 9.470 33.393 ( 1.185 7.746 -5.316) 9.470 ======================= Grid point 109 (56/88) ======================= q-point: ( 0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -0.045 -0.899 -2.132) 2.314 1.059 ( -0.045 0.899 -2.132) 2.314 1.406 ( -2.122 -0.149 3.262) 3.894 1.406 ( -2.122 0.149 3.262) 3.894 1.605 ( 3.119 -3.651 0.855) 4.877 1.605 ( 3.119 3.651 0.855) 4.877 1.681 ( 3.382 -5.253 -4.318) 7.595 1.681 ( 3.382 5.253 -4.318) 7.595 2.038 ( 4.174 -5.023 3.372) 7.350 2.038 ( 4.174 5.023 3.372) 7.350 2.159 ( 2.788 -7.942 -2.707) 8.842 2.159 ( 2.788 7.942 -2.707) 8.842 2.504 ( 1.382 -5.502 1.233) 5.806 2.504 ( 1.382 5.502 1.233) 5.806 2.717 ( 0.945 -7.797 6.446) 10.161 2.717 ( 0.945 7.797 6.446) 10.161 2.824 ( 4.180 -2.161 6.865) 8.323 2.824 ( 4.180 2.161 6.865) 8.323 3.092 ( 4.920 -10.295 -2.772) 11.742 3.092 ( 4.920 10.295 -2.772) 11.742 3.241 ( 0.628 -5.092 -7.250) 8.882 3.241 ( 0.628 5.092 -7.250) 8.882 3.483 ( 1.892 -1.549 -0.456) 2.487 3.483 ( 1.892 1.549 -0.456) 2.487 3.795 ( 0.530 -4.927 2.461) 5.533 3.795 ( 0.530 4.927 2.461) 5.533 3.968 ( 0.365 -2.353 0.093) 2.383 3.968 ( 0.365 2.353 0.093) 2.383 4.154 ( 1.996 -1.493 -10.192) 10.492 4.154 ( 1.996 1.493 -10.192) 10.492 4.291 ( 6.837 -4.192 2.481) 8.394 4.291 ( 6.837 4.192 2.481) 8.394 4.681 ( -2.063 -7.187 -0.734) 7.513 4.681 ( -2.063 7.187 -0.734) 7.513 4.842 ( 3.304 -3.945 4.264) 6.683 4.842 ( 3.304 3.945 4.264) 6.683 5.007 ( 0.090 -0.626 2.829) 2.899 5.007 ( 0.090 0.626 2.829) 2.899 5.323 ( -0.274 -4.225 -2.279) 4.809 5.323 ( -0.274 4.225 -2.279) 4.809 5.770 ( -2.475 -2.699 -1.669) 4.024 5.770 ( -2.475 2.699 -1.669) 4.024 6.057 ( -0.733 -10.367 0.675) 10.415 6.057 ( -0.733 10.367 0.675) 10.415 6.317 ( -3.090 -2.320 2.061) 4.379 6.317 ( -3.090 2.320 2.061) 4.379 6.643 ( 2.306 -4.234 -7.379) 8.814 6.643 ( 2.306 4.234 -7.379) 8.814 7.225 ( -4.794 -7.876 4.222) 10.141 7.225 ( -4.794 7.876 4.222) 10.141 7.446 ( 0.358 -9.570 -2.912) 10.009 7.446 ( 0.358 9.570 -2.912) 10.009 7.774 ( -2.918 -1.163 6.648) 7.353 7.774 ( -2.918 1.163 6.648) 7.353 7.991 ( -4.067 -1.214 -3.645) 5.595 7.991 ( -4.067 1.214 -3.645) 5.595 8.294 ( -1.221 -1.087 2.737) 3.188 8.294 ( -1.221 1.087 2.737) 3.188 8.601 ( 3.543 -6.485 -2.235) 7.720 8.601 ( 3.543 6.485 -2.235) 7.720 9.721 ( -1.902 -6.794 1.158) 7.150 9.721 ( -1.902 6.794 1.158) 7.150 9.999 ( -0.294 -6.655 -2.108) 6.987 9.999 ( -0.294 6.655 -2.108) 6.987 10.191 ( -1.832 -3.579 -1.304) 4.226 10.191 ( -1.832 3.579 -1.304) 4.226 10.426 ( 3.941 -4.152 0.539) 5.750 10.426 ( 3.941 4.152 0.539) 5.750 10.613 ( -0.272 -9.385 5.541) 10.901 10.613 ( -0.272 9.385 5.541) 10.901 10.808 ( -0.123 -5.681 -3.159) 6.501 10.808 ( -0.123 5.681 -3.159) 6.501 12.279 ( -0.692 -5.561 -0.418) 5.620 12.279 ( -0.692 5.561 -0.418) 5.620 12.342 ( 2.374 -4.801 0.207) 5.359 12.342 ( 2.374 4.801 0.207) 5.359 13.889 ( -2.210 -1.174 0.241) 2.514 13.889 ( -2.210 1.174 0.241) 2.514 14.010 ( -1.393 -0.970 -0.072) 1.699 14.010 ( -1.393 0.970 -0.072) 1.699 14.467 ( 0.089 -2.155 -0.908) 2.340 14.467 ( 0.089 2.155 -0.908) 2.340 15.257 ( -5.013 -3.278 0.893) 6.056 15.257 ( -5.013 3.278 0.893) 6.056 15.508 ( 0.995 -1.365 0.121) 1.693 15.508 ( 0.995 1.365 0.121) 1.693 15.619 ( -3.329 -3.198 -0.751) 4.676 15.619 ( -3.329 3.198 -0.751) 4.676 15.675 ( -0.425 -2.078 -1.335) 2.506 15.675 ( -0.425 2.078 -1.335) 2.506 15.883 ( 0.183 -0.835 -1.205) 1.477 15.883 ( 0.183 0.835 -1.205) 1.477 16.297 ( 5.257 -4.100 0.376) 6.678 16.297 ( 5.257 4.100 0.376) 6.678 16.463 ( 1.656 -2.348 -1.229) 3.125 16.463 ( 1.656 2.348 -1.229) 3.125 17.601 ( -2.555 -4.218 1.759) 5.236 17.601 ( -2.555 4.218 1.759) 5.236 17.770 ( -2.360 -1.562 -0.444) 2.865 17.770 ( -2.360 1.562 -0.444) 2.865 21.386 ( -0.294 -2.031 1.715) 2.674 21.386 ( -0.294 2.031 1.715) 2.674 21.621 ( -3.718 -1.161 -0.608) 3.942 21.621 ( -3.718 1.161 -0.608) 3.942 26.971 ( -0.014 -0.934 2.573) 2.737 26.971 ( -0.014 0.934 2.573) 2.737 27.457 ( -7.718 -1.466 -3.085) 8.440 27.457 ( -7.718 1.466 -3.085) 8.440 28.847 ( 0.737 -0.269 0.352) 0.860 28.847 ( 0.737 0.269 0.352) 0.860 29.167 ( -2.901 -0.538 -0.993) 3.114 29.167 ( -2.901 0.538 -0.993) 3.114 29.719 ( -1.865 -0.201 1.629) 2.485 29.719 ( -1.865 0.201 1.629) 2.485 30.157 ( -6.045 -1.089 -0.287) 6.149 30.157 ( -6.045 1.089 -0.287) 6.149 30.479 ( 0.044 -5.057 2.792) 5.777 30.479 ( 0.044 5.057 2.792) 5.777 30.695 ( 2.442 -2.718 -0.855) 3.752 30.695 ( 2.442 2.718 -0.855) 3.752 31.018 ( 2.710 -4.339 -2.251) 5.589 31.018 ( 2.710 4.339 -2.251) 5.589 31.380 ( 1.247 -4.598 0.269) 4.772 31.380 ( 1.247 4.598 0.269) 4.772 31.763 ( 12.056 -3.351 -1.502) 12.603 31.763 ( 12.056 3.351 -1.502) 12.603 31.805 ( 8.324 -1.253 1.476) 8.546 31.805 ( 8.324 1.253 1.476) 8.546 33.123 ( -2.913 -4.974 6.443) 8.646 33.123 ( -2.913 4.974 6.443) 8.646 33.366 ( 0.966 -8.411 -5.887) 10.312 33.366 ( 0.966 8.411 -5.887) 10.312 ======================= Grid point 111 (57/88) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 4.044 -2.899 -0.188) 4.979 1.085 ( 4.044 2.899 -0.188) 4.979 1.391 ( -1.232 -3.325 0.461) 3.576 1.391 ( -1.232 3.325 0.461) 3.576 1.656 ( 3.729 -3.507 -1.201) 5.258 1.656 ( 3.729 3.507 -1.201) 5.258 1.726 ( 2.046 -0.793 -0.682) 2.298 1.726 ( 2.046 0.794 -0.682) 2.298 2.117 ( 0.476 -4.019 1.830) 4.442 2.117 ( 0.476 4.019 1.830) 4.442 2.206 ( 3.459 -4.172 -0.295) 5.427 2.206 ( 3.459 4.172 -0.295) 5.427 2.531 ( 1.197 -6.071 0.361) 6.198 2.531 ( 1.197 6.071 0.361) 6.198 2.773 ( 1.934 -6.396 1.573) 6.865 2.773 ( 1.934 6.396 1.573) 6.865 2.988 ( 4.950 -6.225 1.211) 8.045 2.988 ( 4.950 6.225 1.211) 8.045 3.104 ( 6.386 -4.766 -6.582) 10.336 3.104 ( 6.386 4.766 -6.582) 10.336 3.325 ( 6.897 -2.847 2.598) 7.901 3.325 ( 6.897 2.847 2.598) 7.901 3.565 ( 6.469 -1.803 0.922) 6.779 3.565 ( 6.469 1.803 0.922) 6.779 3.852 ( 3.297 -8.634 0.397) 9.251 3.852 ( 3.297 8.634 0.397) 9.251 3.902 ( -2.690 -4.698 -1.016) 5.509 3.902 ( -2.690 4.698 -1.016) 5.509 4.191 ( 7.986 -4.140 -8.379) 12.293 4.191 ( 7.986 4.140 -8.379) 12.293 4.413 ( 3.118 -5.803 2.897) 7.196 4.413 ( 3.118 5.803 2.897) 7.196 4.655 ( 0.076 -5.440 -1.497) 5.643 4.655 ( 0.076 5.440 -1.497) 5.643 4.949 ( 2.292 -4.423 6.980) 8.575 4.949 ( 2.292 4.423 6.980) 8.575 5.037 ( 1.577 -1.748 1.735) 2.924 5.037 ( 1.577 1.748 1.735) 2.924 5.272 ( -3.373 -2.786 -1.632) 4.670 5.272 ( -3.373 2.786 -1.632) 4.670 5.716 ( -0.138 -3.490 -3.905) 5.239 5.716 ( -0.138 3.490 -3.905) 5.239 6.036 ( -3.109 -7.202 2.273) 8.168 6.036 ( -3.109 7.202 2.273) 8.168 6.280 ( -2.437 -2.230 1.854) 3.788 6.280 ( -2.437 2.230 1.854) 3.788 6.607 ( -0.246 -2.676 -6.222) 6.777 6.607 ( -0.246 2.676 -6.222) 6.777 7.143 ( -5.452 -6.916 1.497) 8.933 7.143 ( -5.452 6.916 1.497) 8.933 7.433 ( -0.425 -7.941 -0.693) 7.982 7.433 ( -0.425 7.941 -0.693) 7.982 7.738 ( -4.649 -1.387 3.259) 5.845 7.738 ( -4.649 1.387 3.259) 5.845 7.900 ( -4.162 -3.363 -0.211) 5.355 7.900 ( -4.162 3.363 -0.211) 5.355 8.321 ( 1.216 -1.774 4.357) 4.859 8.321 ( 1.216 1.774 4.357) 4.859 8.638 ( 2.714 -7.919 -3.968) 9.265 8.638 ( 2.714 7.919 -3.968) 9.265 9.678 ( -3.019 -7.945 0.652) 8.525 9.678 ( -3.019 7.945 0.652) 8.525 9.964 ( -1.620 -6.393 -1.097) 6.686 9.964 ( -1.620 6.393 -1.097) 6.686 10.154 ( -0.228 -1.347 -2.836) 3.149 10.154 ( -0.228 1.347 -2.836) 3.149 10.463 ( -0.168 -5.345 -0.556) 5.376 10.463 ( -0.168 5.345 -0.556) 5.376 10.642 ( 0.037 -6.850 1.600) 7.034 10.642 ( 0.037 6.850 1.600) 7.034 10.842 ( 3.159 -4.483 3.252) 6.376 10.842 ( 3.159 4.483 3.252) 6.376 12.264 ( -0.299 -5.107 -0.325) 5.126 12.264 ( -0.299 5.107 -0.325) 5.126 12.392 ( 2.744 -3.700 -0.368) 4.621 12.392 ( 2.744 3.700 -0.368) 4.621 13.842 ( -2.588 -0.448 0.239) 2.637 13.842 ( -2.588 0.448 0.239) 2.637 13.980 ( -1.383 -2.016 -0.542) 2.504 13.980 ( -1.383 2.016 -0.542) 2.504 14.474 ( 1.270 -0.536 -0.186) 1.391 14.474 ( 1.270 0.536 -0.186) 1.391 15.181 ( -4.036 -3.888 0.386) 5.617 15.181 ( -4.036 3.888 0.386) 5.617 15.508 ( -1.925 -2.249 1.791) 3.460 15.508 ( -1.925 2.249 1.791) 3.460 15.538 ( -2.971 -5.468 0.000) 6.223 15.538 ( -2.971 5.468 0.000) 6.223 15.666 ( 0.471 -0.048 -2.021) 2.076 15.666 ( 0.471 0.048 -2.021) 2.076 15.876 ( -0.560 -1.752 -0.557) 1.922 15.876 ( -0.560 1.752 -0.557) 1.922 16.393 ( 4.112 -4.884 0.032) 6.384 16.393 ( 4.112 4.884 0.032) 6.384 16.495 ( 2.514 -2.130 -0.957) 3.431 16.495 ( 2.514 2.130 -0.957) 3.431 17.567 ( -2.135 -2.601 1.300) 3.607 17.567 ( -2.135 2.601 1.300) 3.607 17.711 ( -3.781 -1.155 0.243) 3.961 17.711 ( -3.781 1.155 0.243) 3.961 21.387 ( -0.502 -2.700 0.576) 2.806 21.387 ( -0.502 2.700 0.576) 2.806 21.535 ( -4.517 -1.880 -0.284) 4.901 21.535 ( -4.517 1.880 -0.284) 4.901 26.964 ( -1.374 -0.522 -1.579) 2.157 26.964 ( -1.374 0.522 -1.579) 2.157 27.290 ( -8.242 -0.740 1.556) 8.420 27.290 ( -8.242 0.740 1.556) 8.420 28.864 ( 1.020 -0.500 -0.373) 1.196 28.864 ( 1.020 0.500 -0.373) 1.196 29.104 ( -3.250 -0.442 0.317) 3.295 29.104 ( -3.250 0.442 0.317) 3.295 29.683 ( -2.153 -0.976 -0.807) 2.498 29.683 ( -2.153 0.976 -0.807) 2.498 30.023 ( -7.489 -0.583 0.129) 7.512 30.023 ( -7.489 0.583 0.129) 7.512 30.510 ( 1.328 -4.957 2.009) 5.511 30.510 ( 1.328 4.957 2.009) 5.511 30.748 ( 3.130 -2.057 0.119) 3.747 30.748 ( 3.130 2.057 0.119) 3.747 31.047 ( 1.135 -4.884 0.298) 5.023 31.047 ( 1.135 4.884 0.298) 5.023 31.434 ( 3.005 -6.757 0.301) 7.401 31.434 ( 3.005 6.757 0.301) 7.401 31.881 ( 8.994 -8.274 -8.003) 14.608 31.881 ( 8.994 8.274 -8.003) 14.608 32.093 ( 13.639 -11.564 4.751) 18.502 32.093 ( 13.639 11.564 4.751) 18.502 33.098 ( -5.097 -4.382 6.145) 9.107 33.098 ( -5.097 4.382 6.145) 9.107 33.360 ( 3.300 -9.492 -5.026) 11.236 33.360 ( 3.300 9.492 -5.026) 11.236 ======================= Grid point 113 (58/88) ======================= q-point: ( 0.30 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 6.658 -2.909 0.796) 7.309 1.196 ( 6.658 2.909 0.796) 7.309 1.366 ( -0.880 -1.926 -1.202) 2.435 1.366 ( -0.880 1.926 -1.202) 2.435 1.721 ( 2.952 -3.837 0.587) 4.876 1.721 ( 2.952 3.837 0.587) 4.876 1.758 ( 2.173 -1.029 -0.439) 2.444 1.758 ( 2.173 1.029 -0.439) 2.444 2.105 ( -1.758 -5.737 0.974) 6.079 2.105 ( -1.758 5.737 0.974) 6.079 2.238 ( -0.410 -1.699 -0.317) 1.776 2.238 ( -0.410 1.699 -0.317) 1.776 2.540 ( 0.316 -6.558 -2.393) 6.989 2.540 ( 0.316 6.558 -2.393) 6.989 2.841 ( 5.014 -2.812 0.341) 5.759 2.841 ( 5.014 2.812 0.341) 5.759 3.013 ( 2.084 -7.172 -2.025) 7.739 3.013 ( 2.084 7.172 -2.025) 7.739 3.229 ( 4.832 -3.319 -0.903) 5.932 3.229 ( 4.832 3.319 -0.903) 5.932 3.461 ( 4.280 -4.380 4.331) 7.501 3.461 ( 4.280 4.380 4.331) 7.501 3.731 ( 9.764 -4.167 -2.494) 10.905 3.731 ( 9.764 4.167 -2.494) 10.905 3.824 ( 0.117 -4.972 3.098) 5.859 3.824 ( 0.117 4.972 3.098) 5.859 4.011 ( 8.795 -10.438 -1.349) 13.716 4.011 ( 8.795 10.438 -1.349) 13.716 4.280 ( 6.571 -2.495 -5.930) 9.196 4.280 ( 6.571 2.495 -5.930) 9.196 4.470 ( 1.608 -6.321 3.103) 7.223 4.470 ( 1.608 6.321 3.103) 7.223 4.648 ( 0.053 -2.487 -1.538) 2.925 4.648 ( 0.053 2.487 -1.538) 2.925 4.964 ( -4.603 -2.602 2.347) 5.785 4.964 ( -4.603 2.602 2.347) 5.785 5.098 ( 0.712 -2.691 1.140) 3.009 5.098 ( 0.712 2.691 1.140) 3.009 5.225 ( 1.307 -5.039 1.593) 5.444 5.225 ( 1.307 5.039 1.593) 5.444 5.711 ( 2.796 -4.370 -4.256) 6.710 5.711 ( 2.796 4.370 -4.256) 6.710 5.982 ( -4.016 -4.762 2.224) 6.614 5.982 ( -4.016 4.762 2.224) 6.614 6.247 ( -3.105 -4.007 2.780) 5.782 6.247 ( -3.105 4.007 2.780) 5.782 6.555 ( -0.313 -2.839 -4.985) 5.745 6.555 ( -0.313 2.839 -4.985) 5.745 7.057 ( -4.670 -4.252 0.985) 6.393 7.057 ( -4.670 4.252 0.985) 6.393 7.421 ( -0.352 -7.344 -0.018) 7.352 7.421 ( -0.352 7.344 -0.018) 7.352 7.679 ( -3.058 -1.837 1.409) 3.836 7.679 ( -3.058 1.837 1.409) 3.836 7.813 ( -5.292 -4.147 0.077) 6.723 7.813 ( -5.292 4.147 0.077) 6.723 8.390 ( 1.936 -2.776 4.529) 5.654 8.390 ( 1.936 2.776 4.529) 5.654 8.643 ( 1.550 -8.589 -4.514) 9.826 8.643 ( 1.550 8.589 -4.514) 9.826 9.630 ( -2.698 -5.826 1.042) 6.504 9.630 ( -2.698 5.826 1.042) 6.504 9.938 ( -0.344 -6.104 -0.303) 6.121 9.938 ( -0.344 6.104 -0.303) 6.121 10.138 ( 0.343 -3.633 -1.337) 3.887 10.138 ( 0.343 3.633 -1.337) 3.887 10.429 ( -2.317 -4.607 -0.970) 5.247 10.429 ( -2.317 4.607 -0.970) 5.247 10.650 ( 0.196 -9.528 0.378) 9.538 10.650 ( 0.196 9.528 0.378) 9.538 10.920 ( 2.087 -4.330 1.913) 5.173 10.920 ( 2.087 4.330 1.913) 5.173 12.265 ( 0.328 -3.635 0.397) 3.671 12.265 ( 0.328 3.635 0.397) 3.671 12.436 ( 2.388 -2.192 -0.745) 3.326 12.436 ( 2.388 2.192 -0.745) 3.326 13.805 ( -1.617 -1.347 0.474) 2.157 13.805 ( -1.617 1.347 0.474) 2.157 13.954 ( -0.686 -3.316 -0.876) 3.497 13.954 ( -0.686 3.316 -0.876) 3.497 14.517 ( 3.090 -0.392 0.664) 3.185 14.517 ( 3.090 0.392 0.664) 3.185 15.091 ( -5.659 -3.129 -0.520) 6.487 15.091 ( -5.659 3.129 -0.520) 6.487 15.474 ( -1.359 -2.656 1.680) 3.424 15.474 ( -1.359 2.656 1.680) 3.424 15.540 ( 0.864 -1.704 1.848) 2.658 15.540 ( 0.864 1.704 1.848) 2.658 15.654 ( 0.487 -0.636 -3.216) 3.315 15.654 ( 0.487 0.636 -3.216) 3.315 15.848 ( -2.112 -1.701 -0.051) 2.712 15.848 ( -2.112 1.701 -0.051) 2.712 16.446 ( 1.804 -2.706 -0.282) 3.264 16.446 ( 1.804 2.706 -0.282) 3.264 16.533 ( 1.653 -2.386 -0.086) 2.904 16.533 ( 1.653 2.386 -0.086) 2.904 17.542 ( -1.097 -0.596 0.076) 1.250 17.542 ( -1.097 0.596 0.076) 1.250 17.640 ( -3.883 -0.617 0.746) 4.002 17.640 ( -3.883 0.617 0.746) 4.002 21.375 ( -0.717 -4.031 -0.592) 4.137 21.375 ( -0.717 4.031 -0.592) 4.137 21.463 ( -3.005 -4.095 0.496) 5.103 21.463 ( -3.005 4.095 0.496) 5.103 26.904 ( -2.342 -0.348 -2.935) 3.771 26.904 ( -2.342 0.348 -2.935) 3.771 27.188 ( -4.888 -0.414 2.907) 5.702 27.188 ( -4.888 0.414 2.907) 5.702 28.880 ( 1.235 -0.556 -0.957) 1.658 28.880 ( 1.235 0.556 -0.957) 1.658 29.055 ( -2.512 -0.717 0.905) 2.764 29.055 ( -2.512 0.717 0.905) 2.764 29.633 ( -1.695 -1.581 -1.973) 3.044 29.633 ( -1.695 1.581 -1.973) 3.044 29.895 ( -6.460 -2.079 1.049) 6.867 29.895 ( -6.460 2.079 1.049) 6.867 30.558 ( 1.974 -5.109 2.002) 5.831 30.558 ( 1.974 5.109 2.002) 5.831 30.799 ( 2.148 -3.500 -0.758) 4.176 30.799 ( 2.148 3.500 -0.758) 4.176 31.078 ( 1.232 -6.522 3.059) 7.308 31.078 ( 1.232 6.522 3.059) 7.308 31.452 ( -1.043 -6.298 -1.366) 6.528 31.452 ( -1.043 6.298 -1.366) 6.528 31.993 ( 8.856 -11.776 -6.615) 16.151 31.993 ( 8.856 11.776 -6.615) 16.151 32.350 ( 10.165 -14.100 3.519) 17.735 32.350 ( 10.165 14.100 3.519) 17.735 33.028 ( -5.994 -3.271 3.137) 7.514 33.028 ( -5.994 3.271 3.137) 7.514 33.411 ( 4.613 -9.705 -2.206) 10.970 33.411 ( 4.613 9.705 -2.206) 10.970 ======================= Grid point 115 (59/88) ======================= q-point: ( 0.40 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 2.912 -2.348 1.356) 3.979 1.306 ( 2.912 2.348 1.356) 3.979 1.355 ( 1.171 -1.022 -0.879) 1.785 1.355 ( 1.171 1.022 -0.879) 1.785 1.764 ( 0.372 -4.468 1.325) 4.675 1.764 ( 0.372 4.468 1.325) 4.675 1.800 ( 2.919 -2.226 -0.802) 3.757 1.800 ( 2.919 2.226 -0.802) 3.757 2.085 ( -1.115 -4.896 1.172) 5.156 2.085 ( -1.115 4.896 1.172) 5.156 2.197 ( -2.551 -4.063 -1.267) 4.962 2.197 ( -2.551 4.063 -1.267) 4.962 2.550 ( 3.373 -5.950 -1.105) 6.928 2.550 ( 3.373 5.950 -1.105) 6.928 2.920 ( 0.493 -5.123 3.107) 6.012 2.920 ( 0.493 5.123 3.107) 6.012 3.067 ( 4.539 -5.133 -0.476) 6.869 3.067 ( 4.539 5.133 -0.476) 6.869 3.250 ( -1.030 -4.219 -0.957) 4.447 3.250 ( -1.030 4.219 -0.957) 4.447 3.538 ( 1.860 -1.376 1.049) 2.541 3.538 ( 1.860 1.376 1.049) 2.541 3.802 ( 2.295 -1.550 1.015) 2.949 3.802 ( 2.295 1.550 1.015) 2.949 3.979 ( 8.004 -4.880 1.888) 9.563 3.979 ( 8.004 4.880 1.888) 9.563 4.150 ( 5.515 -7.486 0.895) 9.341 4.150 ( 5.515 7.486 0.895) 9.341 4.326 ( 3.241 -3.332 -5.788) 7.424 4.326 ( 3.241 3.332 -5.788) 7.424 4.529 ( 1.009 -8.676 2.850) 9.188 4.529 ( 1.009 8.676 2.850) 9.188 4.649 ( 2.431 -2.155 -0.493) 3.285 4.649 ( 2.431 2.155 -0.493) 3.285 4.848 ( -6.691 -3.556 -0.944) 7.636 4.848 ( -6.691 3.556 -0.944) 7.636 5.081 ( -0.728 -3.136 -1.765) 3.671 5.081 ( -0.728 3.136 -1.765) 3.671 5.292 ( 1.585 -5.023 0.470) 5.288 5.292 ( 1.585 5.023 0.470) 5.288 5.754 ( 3.971 -4.532 -1.133) 6.131 5.754 ( 3.971 4.532 -1.133) 6.131 5.934 ( -2.609 -3.175 1.737) 4.462 5.934 ( -2.609 3.175 1.737) 4.462 6.214 ( -2.784 -3.117 3.552) 5.485 6.214 ( -2.784 3.117 3.552) 5.485 6.524 ( 0.617 -2.392 -3.488) 4.274 6.524 ( 0.617 2.392 -3.488) 4.274 6.990 ( -2.999 -1.742 1.160) 3.658 6.990 ( -2.999 1.742 1.160) 3.658 7.421 ( 0.222 -9.168 0.044) 9.171 7.421 ( 0.222 9.168 0.044) 9.171 7.641 ( -2.164 -0.405 0.142) 2.206 7.641 ( -2.164 0.405 0.142) 2.206 7.714 ( -3.978 -2.258 -1.247) 4.741 7.714 ( -3.978 2.258 -1.247) 4.741 8.448 ( 0.534 -3.078 3.449) 4.654 8.448 ( 0.534 3.078 3.449) 4.654 8.639 ( 1.564 -7.111 -3.147) 7.932 8.639 ( 1.564 7.111 -3.147) 7.932 9.590 ( -2.164 -3.615 0.174) 4.217 9.590 ( -2.164 3.615 0.174) 4.217 9.941 ( 0.516 -5.481 -0.241) 5.510 9.941 ( 0.516 5.481 -0.241) 5.510 10.153 ( 1.010 -4.945 2.218) 5.513 10.153 ( 1.010 4.945 2.218) 5.513 10.379 ( -1.755 -4.845 -1.130) 5.275 10.379 ( -1.755 4.845 -1.130) 5.275 10.656 ( -0.063 -11.101 0.701) 11.123 10.656 ( -0.063 11.101 0.701) 11.123 10.940 ( 0.176 -5.746 -2.131) 6.131 10.940 ( 0.176 5.746 -2.131) 6.131 12.275 ( 0.157 -2.432 0.355) 2.463 12.275 ( 0.157 2.432 0.355) 2.463 12.471 ( 1.710 -1.128 -0.221) 2.061 12.471 ( 1.710 1.128 -0.221) 2.061 13.788 ( -0.710 -1.595 0.767) 1.907 13.788 ( -0.710 1.595 0.767) 1.907 13.940 ( -0.128 -3.772 -0.953) 3.893 13.940 ( -0.128 3.772 -0.953) 3.893 14.594 ( 4.000 -0.650 1.155) 4.214 14.594 ( 4.000 0.650 1.155) 4.214 14.975 ( -5.543 -1.998 -0.660) 5.929 14.975 ( -5.543 1.998 -0.660) 5.929 15.474 ( -0.085 -2.497 -0.138) 2.502 15.474 ( -0.085 2.497 -0.138) 2.502 15.571 ( 0.502 -2.017 0.889) 2.260 15.571 ( 0.502 2.017 0.889) 2.260 15.652 ( 2.042 -1.359 -1.323) 2.787 15.652 ( 2.042 1.359 -1.323) 2.787 15.802 ( -2.710 -0.992 0.355) 2.908 15.802 ( -2.710 0.992 0.355) 2.908 16.468 ( 0.946 -2.789 0.083) 2.947 16.468 ( 0.946 2.789 0.083) 2.947 16.549 ( 0.054 -4.234 0.033) 4.235 16.549 ( 0.054 4.234 0.033) 4.235 17.527 ( -0.266 -1.672 -0.452) 1.752 17.527 ( -0.266 1.672 -0.452) 1.752 17.585 ( -2.563 -0.405 0.663) 2.678 17.585 ( -2.563 0.405 0.663) 2.678 21.358 ( -0.479 -3.256 -0.591) 3.343 21.358 ( -0.479 3.256 -0.591) 3.343 21.428 ( -1.339 -3.308 0.470) 3.599 21.428 ( -1.339 3.308 0.470) 3.599 26.860 ( -0.673 -0.662 0.036) 0.945 26.860 ( -0.673 0.662 0.036) 0.945 27.129 ( -2.917 -1.012 -0.170) 3.092 27.129 ( -2.917 1.012 -0.170) 3.092 28.895 ( 1.185 -0.332 -1.104) 1.654 28.895 ( 1.185 0.332 -1.104) 1.654 29.023 ( -1.642 -0.592 0.869) 1.950 29.023 ( -1.642 0.592 0.869) 1.950 29.601 ( -0.286 -1.653 -0.830) 1.872 29.601 ( -0.286 1.653 -0.830) 1.872 29.800 ( -4.292 -1.953 0.753) 4.775 29.800 ( -4.292 1.953 0.753) 4.775 30.607 ( 1.128 -4.444 2.443) 5.195 30.607 ( 1.128 4.444 2.443) 5.195 30.812 ( 0.723 -2.508 -2.460) 3.587 30.812 ( 0.723 2.508 -2.460) 3.587 31.140 ( 1.686 -5.549 4.586) 7.394 31.140 ( 1.686 5.549 4.586) 7.394 31.392 ( -2.732 -2.484 -2.522) 4.471 31.392 ( -2.732 2.484 -2.522) 4.471 32.101 ( 6.474 -13.854 -3.719) 15.738 32.101 ( 6.474 13.854 -3.719) 15.738 32.523 ( 5.734 -15.391 2.227) 16.574 32.523 ( 5.734 15.391 2.227) 16.574 32.933 ( -5.286 -2.461 0.764) 5.880 32.933 ( -5.286 2.461 0.764) 5.880 33.477 ( 3.249 -9.629 -0.855) 10.198 33.477 ( 3.249 9.629 -0.855) 10.198 ======================= Grid point 117 (60/88) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -0.494 -0.758 1.399) 1.666 1.326 ( -0.494 0.758 1.399) 1.666 1.388 ( 1.562 -1.717 -0.446) 2.364 1.388 ( 1.562 1.717 -0.446) 2.364 1.745 ( -2.510 -0.740 -0.025) 2.617 1.745 ( -2.510 0.740 -0.025) 2.617 1.853 ( 2.232 -1.998 0.281) 3.009 1.853 ( 2.232 1.998 0.281) 3.009 2.064 ( -2.764 -5.040 1.628) 5.974 2.064 ( -2.764 5.040 1.628) 5.974 2.168 ( 1.392 -9.053 -1.260) 9.246 2.168 ( 1.392 9.053 -1.260) 9.246 2.628 ( 2.614 -3.831 1.151) 4.778 2.628 ( 2.614 3.831 1.151) 4.778 2.939 ( 0.740 -5.738 4.363) 7.246 2.939 ( 0.740 5.738 4.363) 7.246 3.116 ( -0.903 -7.503 -0.944) 7.616 3.116 ( -0.903 7.503 -0.944) 7.616 3.213 ( -0.250 -5.019 -1.318) 5.195 3.213 ( -0.250 5.019 -1.318) 5.195 3.560 ( 0.509 -3.108 -1.280) 3.399 3.560 ( 0.509 3.108 -1.280) 3.400 3.858 ( 0.787 -0.796 4.792) 4.921 3.858 ( 0.787 0.796 4.792) 4.921 4.052 ( -1.491 -2.146 2.495) 3.613 4.052 ( -1.491 2.146 2.495) 3.613 4.181 ( -4.136 -7.974 -1.369) 9.087 4.181 ( -4.136 7.974 -1.369) 9.087 4.333 ( 2.122 -5.052 -4.109) 6.849 4.333 ( 2.122 5.052 -4.109) 6.849 4.568 ( 2.707 -7.094 2.295) 7.932 4.568 ( 2.707 7.094 2.295) 7.932 4.719 ( 2.475 -2.280 -1.816) 3.823 4.719 ( 2.475 2.280 -1.815) 3.823 4.759 ( -0.253 -8.617 1.069) 8.687 4.759 ( -0.253 8.617 1.069) 8.687 5.048 ( -0.815 -2.475 -3.955) 4.736 5.048 ( -0.815 2.475 -3.955) 4.736 5.264 ( -3.260 -4.057 -1.530) 5.425 5.264 ( -3.260 4.057 -1.530) 5.425 5.811 ( 0.558 -0.602 1.179) 1.437 5.811 ( 0.558 0.602 1.179) 1.437 5.917 ( 0.446 -6.635 0.781) 6.696 5.917 ( 0.447 6.635 0.781) 6.696 6.200 ( -1.535 -1.526 3.751) 4.331 6.200 ( -1.535 1.526 3.751) 4.331 6.531 ( 2.525 -3.751 -2.755) 5.294 6.531 ( 2.525 3.751 -2.755) 5.294 6.970 ( -0.305 -1.330 1.758) 2.226 6.970 ( -0.305 1.330 1.758) 2.226 7.422 ( -0.278 -8.207 -0.443) 8.224 7.422 ( -0.278 8.207 -0.443) 8.224 7.603 ( -0.646 -6.001 -0.555) 6.061 7.603 ( -0.646 6.001 -0.555) 6.061 7.670 ( 0.269 -7.009 -1.653) 7.206 7.670 ( 0.269 7.009 -1.653) 7.206 8.449 ( -2.793 -2.450 2.388) 4.417 8.449 ( -2.793 2.450 2.388) 4.417 8.664 ( 2.913 -4.865 -1.739) 5.931 8.664 ( 2.913 4.865 -1.739) 5.931 9.558 ( -0.692 -4.149 -0.704) 4.264 9.558 ( -0.692 4.149 -0.704) 4.264 9.944 ( 0.009 -3.843 -0.329) 3.857 9.944 ( 0.009 3.843 -0.329) 3.857 10.205 ( 1.282 -5.057 4.749) 7.055 10.205 ( 1.282 5.057 4.749) 7.055 10.355 ( 0.211 -5.028 -1.295) 5.196 10.355 ( 0.211 5.028 -1.295) 5.196 10.658 ( -0.457 -10.801 1.071) 10.863 10.658 ( -0.457 10.801 1.071) 10.863 10.903 ( -0.981 -7.739 -4.555) 9.033 10.903 ( -0.981 7.739 -4.555) 9.033 12.274 ( -0.308 -1.120 0.100) 1.166 12.274 ( -0.308 1.120 0.100) 1.166 12.493 ( 0.449 -1.330 0.176) 1.414 12.493 ( 0.449 1.330 0.176) 1.414 13.788 ( -0.064 -1.257 0.967) 1.587 13.788 ( -0.064 1.257 0.967) 1.587 13.933 ( 0.181 -3.230 -1.043) 3.399 13.933 ( 0.181 3.230 -1.043) 3.399 14.651 ( -0.055 -0.530 1.277) 1.384 14.651 ( -0.055 0.530 1.277) 1.384 14.911 ( 0.370 -1.129 -0.531) 1.301 14.911 ( 0.370 1.129 -0.531) 1.301 15.455 ( -1.076 -1.873 -1.518) 2.640 15.455 ( -1.076 1.873 -1.518) 2.640 15.569 ( -0.633 -1.196 -0.314) 1.389 15.569 ( -0.633 1.196 -0.314) 1.389 15.705 ( 2.086 -2.046 1.524) 3.296 15.705 ( 2.086 2.046 1.524) 3.296 15.763 ( -0.661 -2.687 -0.333) 2.787 15.763 ( -0.661 2.687 -0.333) 2.787 16.487 ( 0.390 -2.913 0.938) 3.085 16.487 ( 0.390 2.913 0.938) 3.085 16.540 ( -0.368 -3.996 -0.681) 4.070 16.540 ( -0.368 3.996 -0.681) 4.070 17.534 ( 1.063 -1.719 0.317) 2.046 17.534 ( 1.063 1.719 0.317) 2.046 17.551 ( -1.239 -0.681 -0.239) 1.434 17.551 ( -1.239 0.681 -0.239) 1.434 21.352 ( 0.144 -0.796 -0.253) 0.847 21.352 ( 0.144 0.796 -0.253) 0.847 21.416 ( -0.137 -0.306 0.159) 0.371 21.416 ( -0.137 0.306 0.159) 0.371 26.884 ( 1.802 -0.685 2.950) 3.524 26.884 ( 1.802 0.685 2.950) 3.524 27.071 ( -1.825 -1.008 -3.146) 3.774 27.071 ( -1.825 1.008 -3.146) 3.774 28.903 ( 0.402 -0.253 -1.051) 1.153 28.903 ( 0.402 0.253 -1.051) 1.153 29.008 ( -0.437 -0.225 0.706) 0.860 29.008 ( -0.437 0.225 0.706) 0.860 29.611 ( 1.067 -1.798 0.399) 2.128 29.611 ( 1.067 1.798 0.399) 2.128 29.752 ( -0.734 -0.517 0.016) 0.898 29.752 ( -0.734 0.517 0.016) 0.898 30.630 ( -1.120 -1.864 3.168) 3.843 30.630 ( -1.120 1.864 3.168) 3.843 30.797 ( 0.373 -1.471 -3.532) 3.844 30.797 ( 0.373 1.471 -3.532) 3.844 31.185 ( -0.936 -5.395 4.375) 7.009 31.185 ( -0.936 5.395 4.375) 7.009 31.352 ( 0.996 -2.709 -2.196) 3.627 31.352 ( 0.996 2.709 -2.196) 3.627 32.164 ( 2.400 -11.114 -2.501) 11.642 32.164 ( 2.400 11.114 -2.501) 11.642 32.585 ( -0.938 -15.330 1.336) 15.417 32.585 ( -0.938 15.330 1.336) 15.417 32.863 ( -1.952 -3.576 0.294) 4.085 32.863 ( -1.952 3.576 0.294) 4.085 33.511 ( 0.961 -10.166 -0.682) 10.234 33.511 ( 0.961 10.166 -0.682) 10.234 ======================= Grid point 119 (61/88) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -1.585 -1.623 1.182) 2.558 1.319 ( -1.585 1.623 1.182) 2.558 1.387 ( -1.472 -2.238 -0.781) 2.790 1.387 ( -1.472 2.238 -0.781) 2.790 1.697 ( -2.042 -3.816 0.524) 4.360 1.697 ( -2.042 3.816 0.524) 4.360 1.859 ( -1.590 -3.940 -0.085) 4.250 1.859 ( -1.590 3.940 -0.085) 4.250 2.039 ( -0.411 -1.801 0.693) 1.973 2.039 ( -0.411 1.801 0.693) 1.973 2.199 ( 1.422 -7.418 -0.401) 7.564 2.199 ( 1.422 7.418 -0.401) 7.564 2.621 ( -2.205 -2.400 -1.043) 3.422 2.621 ( -2.205 2.400 -1.043) 3.422 2.980 ( -3.424 -5.618 -1.822) 6.827 2.980 ( -3.424 5.618 -1.822) 6.827 3.088 ( 1.446 -5.876 5.531) 8.198 3.088 ( 1.446 5.876 5.531) 8.198 3.222 ( 1.692 -3.614 -1.999) 4.463 3.222 ( 1.692 3.614 -1.999) 4.463 3.520 ( -4.665 -4.222 0.306) 6.300 3.520 ( -4.665 4.222 0.306) 6.300 3.868 ( -5.264 -1.970 3.685) 6.721 3.868 ( -5.264 1.970 3.685) 6.721 3.976 ( -7.934 -4.608 1.577) 9.309 3.976 ( -7.934 4.608 1.577) 9.309 4.089 ( -0.443 -5.600 -1.510) 5.817 4.089 ( -0.443 5.600 -1.509) 5.817 4.285 ( -3.905 -3.412 -4.401) 6.801 4.285 ( -3.905 3.412 -4.401) 6.801 4.603 ( -2.249 -1.527 2.507) 3.698 4.603 ( -2.249 1.527 2.507) 3.698 4.732 ( 2.213 -4.289 -5.218) 7.107 4.732 ( 2.213 4.289 -5.218) 7.108 4.839 ( 2.909 -3.507 7.252) 8.565 4.839 ( 2.909 3.507 7.252) 8.565 4.995 ( 1.560 -3.436 -7.356) 8.268 4.995 ( 1.560 3.436 -7.356) 8.268 5.189 ( -4.464 -1.708 2.220) 5.270 5.189 ( -4.464 1.708 2.220) 5.270 5.787 ( -1.713 -1.723 -1.886) 3.076 5.787 ( -1.713 1.723 -1.886) 3.076 5.957 ( 1.536 -9.385 2.207) 9.763 5.957 ( 1.536 9.385 2.207) 9.763 6.224 ( 1.218 -2.619 3.569) 4.592 6.224 ( 1.218 2.619 3.569) 4.592 6.562 ( 3.056 -5.363 -3.729) 7.212 6.562 ( 3.056 5.363 -3.729) 7.212 7.000 ( 1.902 -2.595 1.696) 3.637 7.000 ( 1.902 2.595 1.696) 3.637 7.409 ( -0.228 -2.838 -0.354) 2.869 7.409 ( -0.228 2.838 -0.354) 2.869 7.616 ( 1.526 -6.062 0.022) 6.251 7.616 ( 1.526 6.062 0.022) 6.251 7.700 ( 4.346 -7.461 -1.012) 8.693 7.700 ( 4.346 7.461 -1.012) 8.693 8.393 ( -4.646 -2.841 2.285) 5.905 8.393 ( -4.646 2.841 2.285) 5.905 8.704 ( 2.296 -4.732 -2.012) 5.631 8.704 ( 2.296 4.732 -2.012) 5.631 9.565 ( 1.850 -6.696 0.239) 6.951 9.565 ( 1.850 6.696 0.239) 6.951 9.939 ( -0.197 -2.398 -0.196) 2.414 9.939 ( -0.197 2.398 -0.196) 2.414 10.261 ( 0.747 -3.659 4.359) 5.740 10.261 ( 0.747 3.659 4.359) 5.740 10.355 ( 1.091 -4.045 -3.041) 5.177 10.355 ( 1.091 4.045 -3.041) 5.177 10.652 ( -1.226 -7.768 0.938) 7.919 10.652 ( -1.226 7.768 0.938) 7.919 10.852 ( -0.746 -8.200 -2.657) 8.652 10.852 ( -0.746 8.200 -2.657) 8.652 12.269 ( -0.284 -1.553 0.322) 1.612 12.269 ( -0.284 1.553 0.322) 1.612 12.486 ( -1.245 -2.424 -0.201) 2.732 12.486 ( -1.245 2.424 -0.201) 2.732 13.800 ( 0.515 -0.732 0.901) 1.270 13.800 ( 0.515 0.732 0.901) 1.270 13.931 ( 0.450 -1.895 -1.081) 2.228 13.931 ( 0.450 1.895 -1.081) 2.228 14.615 ( -3.708 -1.351 1.222) 4.131 14.615 ( -3.708 1.351 1.222) 4.131 14.975 ( 5.773 -2.457 -0.752) 6.318 14.975 ( 5.773 2.457 -0.752) 6.318 15.429 ( -0.531 -1.138 -0.122) 1.261 15.429 ( -0.531 1.138 -0.122) 1.261 15.548 ( -1.395 -1.726 0.456) 2.266 15.548 ( -1.395 1.726 0.456) 2.266 15.702 ( -1.231 -1.592 -1.033) 2.262 15.702 ( -1.231 1.592 -1.033) 2.262 15.805 ( 3.284 -3.779 0.506) 5.032 15.805 ( 3.284 3.779 0.506) 5.032 16.479 ( -1.616 -3.785 0.106) 4.116 16.479 ( -1.616 3.785 0.106) 4.116 16.543 ( 0.753 -4.103 0.003) 4.171 16.543 ( 0.753 4.103 0.003) 4.171 17.524 ( -0.789 -1.103 -0.444) 1.427 17.524 ( -0.789 1.103 -0.444) 1.427 17.581 ( 3.070 -1.009 0.657) 3.297 17.581 ( 3.070 1.009 0.657) 3.297 21.352 ( 0.093 -3.307 -0.540) 3.352 21.352 ( 0.093 3.307 -0.540) 3.352 21.431 ( 1.639 -3.936 0.419) 4.284 21.431 ( 1.639 3.936 0.419) 4.284 26.940 ( 0.658 -0.137 0.191) 0.698 26.940 ( 0.658 0.137 0.191) 0.698 27.046 ( 2.938 -0.316 -0.325) 2.973 27.046 ( 2.938 0.316 -0.325) 2.973 28.891 ( -0.779 -0.719 -1.059) 1.499 28.891 ( -0.779 0.719 -1.059) 1.499 29.022 ( 1.260 -0.518 0.832) 1.596 29.022 ( 1.260 0.518 0.832) 1.596 29.622 ( 0.224 -1.261 -1.003) 1.627 29.622 ( 0.224 1.261 -1.003) 1.627 29.793 ( 4.601 -1.611 0.910) 4.959 29.793 ( 4.601 1.611 0.910) 4.959 30.611 ( -3.308 -1.906 2.898) 4.793 30.611 ( -3.308 1.906 2.898) 4.793 30.777 ( 0.098 -3.383 -2.675) 4.314 30.777 ( 0.098 3.383 -2.675) 4.314 31.195 ( -1.387 -5.107 5.778) 7.835 31.195 ( -1.387 5.107 5.778) 7.835 31.369 ( 2.355 -6.165 -3.986) 7.710 31.369 ( 2.355 6.165 -3.986) 7.710 32.138 ( -2.753 -2.244 -4.130) 5.447 32.138 ( -2.753 2.244 -4.130) 5.447 32.519 ( -7.157 -10.293 2.790) 12.843 32.519 ( -7.157 10.293 2.790) 12.843 32.867 ( 1.768 -3.142 0.544) 3.646 32.867 ( 1.768 3.142 0.544) 3.646 33.506 ( -0.828 -11.480 -0.749) 11.535 33.506 ( -0.828 11.480 -0.749) 11.535 ======================= Grid point 121 (62/88) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -4.429 -3.973 2.738) 6.549 1.275 ( -4.429 3.973 2.738) 6.549 1.325 ( -3.106 -1.381 -2.915) 4.478 1.325 ( -3.106 1.381 -2.915) 4.478 1.694 ( 1.063 -4.590 0.344) 4.724 1.694 ( 1.063 4.590 0.344) 4.724 1.822 ( -1.664 -4.436 -0.373) 4.752 1.822 ( -1.664 4.436 -0.373) 4.752 2.038 ( -0.599 -4.446 0.717) 4.543 2.038 ( -0.599 4.446 0.717) 4.543 2.192 ( -2.095 -4.873 -0.068) 5.304 2.192 ( -2.095 4.873 -0.068) 5.304 2.573 ( -0.998 -4.621 -2.682) 5.436 2.573 ( -0.998 4.621 -2.682) 5.436 2.859 ( -6.599 -6.546 -0.892) 9.337 2.859 ( -6.599 6.546 -0.892) 9.337 3.126 ( -2.780 -5.485 1.966) 6.456 3.126 ( -2.780 5.485 1.966) 6.456 3.203 ( -3.923 -3.668 -3.488) 6.404 3.203 ( -3.923 3.668 -3.488) 6.404 3.439 ( -3.388 -1.927 4.959) 6.307 3.439 ( -3.388 1.927 4.959) 6.307 3.686 ( -11.650 -6.372 -0.880) 13.308 3.686 ( -11.650 6.372 -0.880) 13.308 3.893 ( -3.672 -2.845 -0.504) 4.672 3.893 ( -3.672 2.845 -0.504) 4.672 4.058 ( -4.363 -7.630 1.896) 8.991 4.058 ( -4.363 7.630 1.896) 8.991 4.190 ( -0.356 -3.169 -6.054) 6.842 4.190 ( -0.356 3.169 -6.054) 6.842 4.547 ( -4.483 -1.901 0.520) 4.897 4.547 ( -4.483 1.901 0.520) 4.897 4.717 ( 0.381 -2.225 -3.852) 4.465 4.717 ( 0.381 2.225 -3.852) 4.465 4.873 ( -2.887 -7.097 7.271) 10.563 4.873 ( -2.887 7.097 7.271) 10.563 5.060 ( 2.567 -1.094 -0.885) 2.928 5.060 ( 2.567 1.094 -0.885) 2.928 5.148 ( 1.561 -5.027 1.652) 5.517 5.148 ( 1.561 5.027 1.652) 5.517 5.737 ( -0.929 -2.918 -4.363) 5.330 5.737 ( -0.929 2.918 -4.363) 5.330 5.996 ( 0.729 -4.959 2.797) 5.740 5.996 ( 0.729 4.959 2.797) 5.740 6.295 ( 3.195 -4.266 3.129) 6.181 6.295 ( 3.195 4.266 3.129) 6.181 6.579 ( 2.674 -5.021 -5.792) 8.119 6.579 ( 2.674 5.021 -5.792) 8.119 7.060 ( 3.040 -4.746 1.238) 5.770 7.060 ( 3.040 4.746 1.238) 5.770 7.420 ( 1.402 -1.397 0.157) 1.985 7.420 ( 1.402 1.397 0.157) 1.985 7.652 ( 2.074 -2.463 1.108) 3.405 7.652 ( 2.074 2.463 1.108) 3.405 7.808 ( 6.960 -5.554 0.311) 8.909 7.808 ( 6.960 5.554 0.311) 8.909 8.326 ( -4.264 -4.043 3.017) 6.605 8.326 ( -4.264 4.043 3.017) 6.605 8.704 ( -0.218 -6.586 -3.129) 7.295 8.704 ( -0.218 6.586 -3.129) 7.295 9.623 ( 3.091 -7.832 1.130) 8.495 9.623 ( 3.091 7.832 1.130) 8.495 9.944 ( 1.146 -2.070 -0.167) 2.372 9.944 ( 1.146 2.070 -0.167) 2.372 10.272 ( -1.684 -3.011 -1.841) 3.910 10.272 ( -1.684 3.011 -1.841) 3.910 10.357 ( 1.825 -4.028 -1.324) 4.616 10.357 ( 1.825 4.028 -1.324) 4.616 10.622 ( -2.464 -8.930 0.883) 9.305 10.622 ( -2.464 8.930 0.883) 9.305 10.853 ( 0.919 -5.757 2.115) 6.202 10.853 ( 0.919 5.757 2.115) 6.202 12.270 ( 0.070 -3.572 0.374) 3.592 12.270 ( 0.070 3.572 0.374) 3.592 12.444 ( -2.658 -3.517 -0.721) 4.467 12.444 ( -2.658 3.517 -0.721) 4.467 13.823 ( 1.362 -1.067 0.657) 1.851 13.823 ( 1.362 1.067 0.657) 1.851 13.934 ( 0.775 -1.015 -1.021) 1.635 13.934 ( 0.775 1.015 -1.021) 1.635 14.558 ( -2.817 -2.195 0.656) 3.631 14.558 ( -2.817 2.195 0.656) 3.631 15.084 ( 5.894 -3.425 -0.577) 6.841 15.084 ( 5.894 3.425 -0.577) 6.841 15.445 ( 1.855 -1.373 1.623) 2.822 15.445 ( 1.855 1.373 1.623) 2.822 15.535 ( -0.415 -3.035 1.238) 3.304 15.535 ( -0.415 3.035 1.238) 3.304 15.670 ( -0.549 -1.746 -2.545) 3.135 15.670 ( -0.549 1.746 -2.545) 3.135 15.858 ( 2.011 -2.662 -0.017) 3.336 15.858 ( 2.011 2.662 -0.017) 3.336 16.438 ( -2.655 -5.339 -0.252) 5.968 16.438 ( -2.655 5.339 -0.252) 5.968 16.547 ( -0.613 -7.303 -0.139) 7.330 16.547 ( -0.613 7.303 -0.139) 7.330 17.517 ( 0.294 -2.275 0.224) 2.304 17.517 ( 0.294 2.275 0.224) 2.304 17.656 ( 4.141 -0.362 0.617) 4.202 17.656 ( 4.141 0.362 0.617) 4.202 21.348 ( -0.062 -3.527 -0.419) 3.552 21.348 ( -0.062 3.527 -0.419) 3.552 21.483 ( 3.382 -4.485 0.319) 5.627 21.483 ( 3.382 4.485 0.319) 5.627 26.912 ( -0.793 -0.536 -3.156) 3.298 26.912 ( -0.793 0.536 -3.156) 3.298 27.177 ( 8.133 -0.568 3.128) 8.732 27.177 ( 8.133 0.568 3.128) 8.732 28.865 ( -1.099 -0.778 -0.843) 1.588 28.865 ( -1.099 0.778 -0.843) 1.588 29.064 ( 2.528 -0.707 0.775) 2.737 29.064 ( 2.528 0.707 0.775) 2.737 29.616 ( 0.511 -0.818 -1.693) 1.948 29.616 ( 0.511 0.818 -1.693) 1.948 29.913 ( 6.902 -3.281 0.758) 7.679 29.913 ( 6.902 3.281 0.758) 7.679 30.562 ( -3.644 -1.779 2.179) 4.603 30.562 ( -3.644 1.779 2.179) 4.603 30.758 ( -0.810 -2.121 -0.769) 2.397 30.758 ( -0.810 2.121 -0.769) 2.397 31.224 ( -1.252 -4.866 7.049) 8.656 31.224 ( -1.252 4.866 7.049) 8.656 31.364 ( 1.131 -7.457 -5.580) 9.382 31.364 ( 1.131 7.457 -5.580) 9.382 31.993 ( -8.091 -7.358 -6.476) 12.710 31.993 ( -8.091 7.358 -6.476) 12.710 32.370 ( -11.177 -8.419 3.402) 14.401 32.370 ( -11.177 8.419 3.402) 14.401 32.933 ( 3.801 -3.819 2.526) 5.951 32.933 ( 3.801 3.819 2.526) 5.951 33.472 ( -1.697 -12.200 -1.532) 12.413 33.472 ( -1.697 12.200 -1.532) 12.413 ======================= Grid point 123 (63/88) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -3.853 -4.459 0.574) 5.921 1.220 ( -3.853 4.459 0.574) 5.921 1.259 ( 0.042 -6.737 -0.700) 6.773 1.259 ( 0.042 6.737 -0.700) 6.773 1.696 ( -1.873 -3.540 -0.506) 4.037 1.696 ( -1.873 3.540 -0.506) 4.037 1.802 ( 0.186 -2.649 -1.653) 3.128 1.802 ( 0.186 2.649 -1.653) 3.128 2.024 ( -2.759 -5.484 2.715) 6.712 2.024 ( -2.759 5.484 2.715) 6.712 2.135 ( -2.761 -2.126 -0.317) 3.500 2.135 ( -2.761 2.126 -0.317) 3.500 2.544 ( -0.904 -5.615 -0.527) 5.712 2.544 ( -0.904 5.615 -0.527) 5.712 2.738 ( -5.312 -5.471 -0.659) 7.654 2.738 ( -5.312 5.471 -0.659) 7.654 2.916 ( -16.952 -4.603 4.198) 18.060 2.916 ( -16.952 4.603 4.198) 18.060 3.158 ( 0.832 -9.779 -5.626) 11.312 3.158 ( 0.832 9.779 -5.626) 11.312 3.418 ( -3.900 -2.595 0.036) 4.684 3.418 ( -3.900 2.595 0.036) 4.684 3.528 ( -2.940 -3.703 2.640) 5.416 3.528 ( -2.940 3.703 2.640) 5.416 3.793 ( -6.212 -5.600 0.572) 8.383 3.793 ( -6.212 5.600 0.572) 8.383 4.018 ( 0.232 -4.308 -1.263) 4.495 4.018 ( 0.232 4.308 -1.263) 4.495 4.128 ( -2.176 -2.757 -6.640) 7.512 4.128 ( -2.176 2.757 -6.640) 7.512 4.454 ( -6.027 -1.128 1.080) 6.226 4.454 ( -6.027 1.128 1.080) 6.226 4.685 ( -0.012 -2.636 -3.291) 4.217 4.685 ( -0.012 2.636 -3.291) 4.217 4.912 ( -0.251 -10.144 8.366) 13.151 4.912 ( -0.251 10.144 8.366) 13.151 5.008 ( -5.110 -2.606 2.195) 6.142 5.008 ( -5.110 2.606 2.195) 6.142 5.256 ( 5.939 -3.600 -1.702) 7.151 5.256 ( 5.939 3.600 -1.702) 7.151 5.702 ( 1.337 -4.896 -4.018) 6.473 5.702 ( 1.337 4.896 -4.018) 6.473 6.034 ( 1.302 -3.777 2.381) 4.651 6.034 ( 1.302 3.777 2.381) 4.651 6.370 ( 1.389 -3.559 3.802) 5.390 6.370 ( 1.389 3.559 3.802) 5.390 6.582 ( 3.758 -2.514 -8.334) 9.482 6.582 ( 3.758 2.514 -8.334) 9.482 7.124 ( 2.371 -6.383 1.769) 7.036 7.124 ( 2.371 6.383 1.769) 7.036 7.451 ( 1.900 -3.487 -1.129) 4.129 7.451 ( 1.900 3.487 -1.129) 4.129 7.711 ( 2.251 -1.993 3.092) 4.313 7.711 ( 2.251 1.993 3.092) 4.313 7.951 ( 7.492 -7.054 0.442) 10.300 7.951 ( 7.492 7.054 0.442) 10.300 8.286 ( -2.684 -4.894 3.530) 6.604 8.286 ( -2.684 4.894 3.530) 6.604 8.655 ( -2.088 -7.958 -3.233) 8.840 8.655 ( -2.088 7.958 -3.233) 8.840 9.676 ( 1.703 -5.351 0.319) 5.625 9.676 ( 1.703 5.351 0.319) 5.625 9.983 ( 2.872 -2.622 -0.454) 3.915 9.983 ( 2.872 2.622 -0.454) 3.915 10.195 ( -2.396 -4.657 -4.936) 7.197 10.195 ( -2.396 4.657 -4.936) 7.197 10.388 ( 0.808 -5.533 1.363) 5.755 10.388 ( 0.808 5.533 1.363) 5.755 10.587 ( -2.234 -10.435 2.180) 10.892 10.587 ( -2.234 10.435 2.180) 10.892 10.897 ( 1.150 -4.094 2.470) 4.918 10.897 ( 1.150 4.094 2.470) 4.918 12.273 ( 0.023 -5.108 -0.308) 5.117 12.273 ( 0.023 5.108 -0.308) 5.117 12.385 ( -2.780 -4.664 -0.384) 5.443 12.385 ( -2.780 4.664 -0.384) 5.443 13.861 ( 2.181 -2.133 0.424) 3.080 13.861 ( 2.181 2.133 0.424) 3.080 13.948 ( 1.605 -0.788 -0.688) 1.916 13.948 ( 1.605 0.788 -0.688) 1.916 14.521 ( -1.463 -3.629 -0.226) 3.920 14.521 ( -1.463 3.629 -0.226) 3.920 15.182 ( 4.850 -3.621 0.321) 6.061 15.182 ( 4.850 3.621 0.321) 6.061 15.513 ( 2.253 -0.941 1.822) 3.046 15.513 ( 2.253 0.941 1.822) 3.046 15.558 ( 2.656 -6.397 0.658) 6.958 15.558 ( 2.656 6.397 0.658) 6.958 15.648 ( 0.620 -2.030 -2.550) 3.318 15.648 ( 0.620 2.030 -2.550) 3.318 15.879 ( 0.682 -2.404 -0.704) 2.597 15.879 ( 0.682 2.404 -0.704) 2.597 16.372 ( -4.474 -4.426 0.028) 6.293 16.372 ( -4.474 4.426 0.028) 6.293 16.517 ( -1.890 -7.450 -0.961) 7.746 16.517 ( -1.890 7.450 -0.961) 7.746 17.541 ( 1.692 -3.814 1.228) 4.349 17.541 ( 1.692 3.814 1.228) 4.349 17.738 ( 3.975 -0.847 0.369) 4.081 17.738 ( 3.975 0.847 0.369) 4.081 21.347 ( 0.004 -2.589 0.475) 2.632 21.347 ( 0.004 2.589 0.475) 2.632 21.558 ( 4.357 -3.857 -0.176) 5.822 21.558 ( 4.357 3.857 -0.176) 5.822 26.886 ( 0.052 -1.383 -1.087) 1.760 26.886 ( 0.052 1.383 -1.087) 1.760 27.369 ( 10.049 -1.883 1.068) 10.279 27.369 ( 10.049 1.883 1.068) 10.279 28.841 ( -0.854 -0.643 -0.322) 1.116 28.841 ( -0.854 0.643 -0.322) 1.116 29.127 ( 3.601 -1.026 0.244) 3.752 29.127 ( 3.601 1.026 0.244) 3.752 29.622 ( 1.210 -0.847 -0.587) 1.590 29.622 ( 1.210 0.847 -0.587) 1.590 30.048 ( 6.902 -3.835 -0.054) 7.896 30.048 ( 6.902 3.835 -0.054) 7.896 30.514 ( -2.993 -2.109 1.857) 4.105 30.514 ( -2.993 2.109 1.857) 4.105 30.733 ( -1.570 -1.371 0.007) 2.084 30.733 ( -1.570 1.371 0.007) 2.084 31.231 ( -2.898 -4.837 2.815) 6.302 31.231 ( -2.898 4.837 2.815) 6.302 31.345 ( 0.341 -3.709 -1.568) 4.041 31.345 ( 0.341 3.709 -1.568) 4.041 31.757 ( -10.921 -8.545 -5.863) 15.055 31.757 ( -10.921 8.545 -5.863) 15.055 32.156 ( -13.711 -7.614 2.193) 15.835 32.156 ( -13.711 7.614 2.193) 15.835 33.030 ( 3.046 -4.991 4.355) 7.291 33.030 ( 3.046 4.991 4.355) 7.291 33.427 ( -0.851 -10.892 -3.218) 11.390 33.427 ( -0.851 10.892 -3.218) 11.390 ======================= Grid point 125 (64/88) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -1.264 -6.872 -4.845) 8.503 1.148 ( -1.264 6.872 -4.845) 8.503 1.320 ( 3.302 -8.082 4.766) 9.946 1.320 ( 3.302 8.082 4.766) 9.946 1.618 ( -5.914 -4.854 0.406) 7.661 1.618 ( -5.914 4.854 0.406) 7.661 1.775 ( -0.548 -2.876 -4.974) 5.772 1.775 ( -0.548 2.876 -4.974) 5.772 1.966 ( -5.372 -3.566 4.915) 8.108 1.966 ( -5.372 3.566 4.915) 8.108 2.118 ( 1.228 -3.505 -1.127) 3.881 2.118 ( 1.228 3.505 -1.127) 3.881 2.515 ( -3.286 -4.225 1.095) 5.463 2.515 ( -3.286 4.225 1.095) 5.463 2.645 ( -5.221 -7.126 4.547) 9.935 2.645 ( -5.221 7.126 4.547) 9.935 2.736 ( -4.528 -2.028 5.445) 7.366 2.736 ( -4.528 2.028 5.445) 7.366 3.082 ( -3.947 -9.470 -3.547) 10.855 3.082 ( -3.947 9.470 -3.547) 10.855 3.371 ( 1.460 -8.650 -6.342) 10.824 3.371 ( 1.460 8.650 -6.342) 10.824 3.542 ( 0.515 -1.774 0.508) 1.916 3.542 ( 0.515 1.774 0.508) 1.916 3.717 ( -2.497 -6.226 4.171) 7.899 3.717 ( -2.497 6.226 4.171) 7.899 3.967 ( -5.576 -1.477 -0.849) 5.830 3.967 ( -5.576 1.477 -0.849) 5.830 4.079 ( 4.042 -5.426 -5.727) 8.865 4.079 ( 4.042 5.426 -5.727) 8.865 4.349 ( -5.113 -1.192 -0.452) 5.269 4.349 ( -5.113 1.192 -0.452) 5.269 4.685 ( 1.873 -3.996 -1.646) 4.710 4.685 ( 1.873 3.996 -1.646) 4.710 4.897 ( -6.572 -9.733 2.875) 12.091 4.897 ( -6.572 9.733 2.875) 12.091 4.980 ( -0.550 -3.705 4.477) 5.837 4.980 ( -0.550 3.705 4.477) 5.837 5.314 ( 2.459 -2.152 -2.601) 4.176 5.314 ( 2.459 2.152 -2.601) 4.176 5.734 ( 3.876 -5.759 -1.550) 7.113 5.734 ( 3.876 5.759 -1.550) 7.113 6.073 ( 1.090 -5.289 0.674) 5.442 6.073 ( 1.090 5.289 0.674) 5.442 6.391 ( -2.378 -0.678 4.175) 4.852 6.391 ( -2.378 0.678 4.175) 4.852 6.601 ( 5.571 -3.026 -9.563) 11.473 6.601 ( 5.571 3.026 -9.563) 11.473 7.180 ( 1.393 -8.118 4.014) 9.163 7.180 ( 1.393 8.118 4.014) 9.163 7.468 ( 1.513 -5.031 -2.696) 5.905 7.468 ( 1.513 5.031 -2.696) 5.905 7.763 ( -0.532 -5.590 4.805) 7.390 7.763 ( -0.532 5.590 4.805) 7.390 8.076 ( 5.577 -6.344 -2.079) 8.699 8.076 ( 5.577 6.344 -2.079) 8.699 8.278 ( -0.965 -5.462 3.172) 6.390 8.278 ( -0.965 5.462 3.172) 6.390 8.591 ( -2.064 -8.167 -2.289) 8.729 8.591 ( -2.064 8.167 -2.289) 8.729 9.700 ( 0.965 -2.622 0.556) 2.849 9.700 ( 0.965 2.622 0.556) 2.849 10.011 ( 0.572 -3.305 -1.730) 3.774 10.011 ( 0.572 3.305 -1.730) 3.774 10.156 ( 1.382 -8.240 -0.918) 8.406 10.156 ( 1.382 8.240 -0.918) 8.406 10.396 ( -1.042 -7.851 0.927) 7.974 10.396 ( -1.042 7.851 0.927) 7.974 10.575 ( -1.240 -11.124 3.023) 11.594 10.575 ( -1.240 11.124 3.023) 11.594 10.913 ( -0.352 -4.458 -1.285) 4.653 10.913 ( -0.352 4.458 -1.285) 4.653 12.267 ( -0.054 -4.954 -0.388) 4.969 12.267 ( -0.054 4.954 -0.388) 4.969 12.344 ( -1.566 -5.985 0.174) 6.189 12.344 ( -1.566 5.985 0.174) 6.189 13.899 ( 1.277 -3.498 0.289) 3.735 13.899 ( 1.277 3.498 0.289) 3.735 13.987 ( 2.630 -0.630 -0.141) 2.708 13.987 ( 2.630 0.630 -0.141) 2.708 14.496 ( -0.777 -4.685 -0.847) 4.824 14.496 ( -0.777 4.685 -0.847) 4.824 15.280 ( 4.958 -2.572 0.949) 5.666 15.280 ( 4.958 2.572 0.949) 5.666 15.507 ( -2.886 -1.542 0.324) 3.288 15.507 ( -2.886 1.542 0.324) 3.288 15.630 ( 3.231 -3.712 -0.857) 4.995 15.630 ( 3.231 3.712 -0.857) 4.995 15.670 ( 2.913 -2.801 -1.442) 4.290 15.670 ( 2.913 2.801 -1.442) 4.290 15.886 ( 1.215 -2.852 -1.471) 3.431 15.886 ( 1.215 2.852 -1.471) 3.431 16.277 ( -5.147 -4.154 0.505) 6.633 16.277 ( -5.147 4.154 0.505) 6.633 16.475 ( -1.294 -4.663 -1.264) 5.002 16.475 ( -1.294 4.663 -1.264) 5.002 17.590 ( 1.885 -4.249 1.565) 4.905 17.590 ( 1.885 4.249 1.565) 4.905 17.798 ( 2.014 -1.143 -0.257) 2.330 17.798 ( 2.014 1.143 -0.257) 2.330 21.356 ( 0.099 -1.620 1.657) 2.319 21.356 ( 0.099 1.620 1.657) 2.319 21.633 ( 3.505 -3.169 -0.498) 4.751 21.633 ( 3.505 3.169 -0.498) 4.751 26.898 ( 0.714 -1.658 2.013) 2.704 26.898 ( 0.714 1.658 2.013) 2.704 27.539 ( 7.592 -4.726 -2.571) 9.305 27.539 ( 7.592 4.726 -2.571) 9.305 28.830 ( -0.331 -0.399 0.312) 0.605 28.830 ( -0.331 0.399 0.312) 0.605 29.193 ( 3.288 -1.857 -1.029) 3.914 29.193 ( 3.288 1.857 -1.029) 3.914 29.659 ( 2.304 -1.219 1.696) 3.110 29.659 ( 2.304 1.219 1.696) 3.110 30.164 ( 5.260 -2.952 -0.119) 6.033 30.164 ( 5.260 2.952 -0.119) 6.033 30.480 ( -2.324 -4.146 2.251) 5.259 30.480 ( -2.324 4.146 2.251) 5.259 30.702 ( -1.366 -1.485 -0.428) 2.063 30.702 ( -1.366 1.485 -0.428) 2.063 31.138 ( -6.578 -1.778 -3.205) 7.530 31.138 ( -6.578 1.778 -3.205) 7.530 31.356 ( 1.119 -3.602 0.995) 3.901 31.356 ( 1.119 3.602 0.995) 3.901 31.557 ( -6.530 -2.840 0.172) 7.123 31.557 ( -6.530 2.840 0.172) 7.123 31.915 ( -11.736 -6.729 0.074) 13.528 31.915 ( -11.736 6.729 0.074) 13.528 33.094 ( -0.181 -5.337 5.140) 7.412 33.094 ( -0.181 5.337 5.140) 7.412 33.403 ( 1.429 -8.479 -4.604) 9.754 33.403 ( 1.429 8.479 -4.604) 9.754 ======================= Grid point 147 (65/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 9.477 0.000 -11.856) 15.179 0.919 ( -9.477 0.000 11.856) 15.179 1.037 ( 4.433 0.000 -17.671) 18.219 1.037 ( -4.433 0.000 17.671) 18.219 1.431 ( 0.317 0.000 -23.436) 23.438 1.431 ( -0.317 0.000 23.436) 23.438 1.568 ( -0.722 0.000 -3.317) 3.394 1.568 ( 0.722 0.000 3.317) 3.394 1.953 ( 0.143 0.000 -1.418) 1.425 1.953 ( -0.143 0.000 1.418) 1.425 2.212 ( 0.136 0.000 -9.122) 9.123 2.212 ( -0.136 0.000 9.122) 9.123 2.500 ( 0.300 0.000 -0.979) 1.023 2.500 ( -0.300 0.000 0.979) 1.023 2.568 ( -4.861 0.000 0.657) 4.905 2.568 ( 4.861 0.000 -0.657) 4.905 2.903 ( -1.854 0.000 -0.178) 1.863 2.903 ( 1.854 0.000 0.178) 1.863 3.207 ( -3.921 0.000 -5.752) 6.961 3.207 ( 3.921 0.000 5.752) 6.961 3.423 ( -3.037 0.000 -9.919) 10.374 3.423 ( 3.037 0.000 9.919) 10.374 3.629 ( -0.326 0.000 -1.502) 1.538 3.629 ( 0.326 0.000 1.502) 1.538 3.683 ( -1.575 0.000 -8.254) 8.402 3.683 ( 1.575 0.000 8.254) 8.402 3.782 ( -0.547 0.000 -13.529) 13.540 3.782 ( 0.547 0.000 13.529) 13.540 4.081 ( -0.205 0.000 -0.715) 0.743 4.081 ( 0.205 0.000 0.715) 0.743 4.356 ( -3.226 0.000 0.112) 3.228 4.356 ( 3.226 0.000 -0.112) 3.228 4.447 ( -3.091 0.000 -1.255) 3.336 4.447 ( 3.091 0.000 1.255) 3.336 4.856 ( -7.974 0.000 2.610) 8.390 4.856 ( 7.974 0.000 -2.610) 8.390 4.913 ( -3.053 0.000 -1.459) 3.384 4.913 ( 3.053 0.000 1.459) 3.384 5.301 ( -1.091 0.000 -0.882) 1.403 5.301 ( 1.091 0.000 0.882) 1.403 5.643 ( 3.677 0.000 -5.326) 6.471 5.643 ( -3.677 0.000 5.326) 6.471 6.046 ( -3.862 0.000 0.934) 3.973 6.046 ( 3.862 0.000 -0.934) 3.973 6.432 ( -6.715 0.000 -5.291) 8.549 6.432 ( 6.715 0.000 5.291) 8.549 6.618 ( 4.933 0.000 -6.730) 8.344 6.618 ( -4.933 0.000 6.730) 8.344 7.205 ( -0.243 0.000 -8.239) 8.243 7.205 ( 0.243 0.000 8.239) 8.243 7.543 ( 6.814 0.000 -4.932) 8.412 7.543 ( -6.814 0.000 4.932) 8.412 7.797 ( -0.337 0.000 -10.306) 10.311 7.797 ( 0.337 0.000 10.306) 10.311 8.099 ( -10.515 0.000 -2.492) 10.806 8.099 ( 10.515 0.000 2.492) 10.806 8.256 ( -2.420 0.000 -6.689) 7.113 8.256 ( 2.420 0.000 6.689) 7.113 8.836 ( -1.185 0.000 -1.830) 2.180 8.836 ( 1.185 0.000 1.830) 2.180 9.355 ( 1.326 0.000 -3.698) 3.928 9.355 ( -1.326 0.000 3.698) 3.928 9.868 ( 3.836 0.000 -3.793) 5.394 9.868 ( -3.836 0.000 3.793) 5.394 10.210 ( -0.845 0.000 -4.236) 4.319 10.210 ( 0.845 0.000 4.236) 4.319 10.431 ( -3.854 0.000 -1.821) 4.262 10.431 ( 3.854 0.000 1.821) 4.262 10.586 ( -8.198 0.000 1.968) 8.431 10.586 ( 8.198 0.000 -1.968) 8.431 11.099 ( -2.484 0.000 0.657) 2.569 11.099 ( 2.484 0.000 -0.657) 2.569 11.999 ( 3.206 0.000 -4.672) 5.666 11.999 ( -3.206 0.000 4.672) 5.666 12.514 ( -0.978 0.000 -1.529) 1.815 12.514 ( 0.978 0.000 1.529) 1.815 13.966 ( 0.127 0.000 -1.181) 1.188 13.966 ( -0.127 0.000 1.181) 1.188 14.032 ( -0.522 0.000 -0.176) 0.550 14.032 ( 0.522 0.000 0.176) 0.550 14.849 ( -0.141 0.000 -4.958) 4.960 14.849 ( 0.141 0.000 4.958) 4.960 15.171 ( 0.563 0.000 -1.311) 1.427 15.171 ( -0.563 0.000 1.311) 1.427 15.438 ( -0.129 0.000 -1.157) 1.164 15.438 ( 0.129 0.000 1.157) 1.164 15.471 ( -0.861 0.000 -0.540) 1.016 15.471 ( 0.861 0.000 0.540) 1.016 15.662 ( 2.478 0.000 -3.230) 4.071 15.662 ( -2.478 0.000 3.230) 4.071 15.957 ( -12.820 0.000 -0.146) 12.821 15.957 ( 12.820 0.000 0.146) 12.821 16.272 ( -14.100 0.000 -4.288) 14.738 16.272 ( 14.100 0.000 4.288) 14.738 16.507 ( -5.073 0.000 -0.936) 5.159 16.507 ( 5.073 0.000 0.936) 5.159 17.550 ( 2.888 0.000 -5.629) 6.327 17.550 ( -2.888 0.000 5.629) 6.327 17.894 ( -0.013 0.000 -0.262) 0.262 17.894 ( 0.013 0.000 0.262) 0.262 21.120 ( 1.651 0.000 -1.315) 2.110 21.120 ( -1.651 0.000 1.315) 2.110 21.678 ( -1.682 0.000 -1.501) 2.254 21.678 ( 1.682 0.000 1.501) 2.254 27.095 ( -2.529 0.000 -4.811) 5.435 27.095 ( 2.529 0.000 4.811) 5.435 27.396 ( 0.946 0.000 -1.608) 1.865 27.396 ( -0.946 0.000 1.608) 1.865 28.903 ( 0.702 0.000 -1.626) 1.771 28.903 ( -0.702 0.000 1.626) 1.771 29.060 ( 0.539 0.000 -1.052) 1.182 29.060 ( -0.539 0.000 1.052) 1.182 29.693 ( -1.952 0.000 -5.758) 6.080 29.693 ( 1.952 0.000 5.758) 6.080 30.211 ( -1.589 0.000 0.300) 1.617 30.211 ( 1.589 0.000 -0.300) 1.617 30.294 ( -0.099 0.000 -1.670) 1.673 30.294 ( 0.099 0.000 1.670) 1.673 30.839 ( -3.833 0.000 -0.940) 3.946 30.839 ( 3.833 0.000 0.940) 3.946 30.947 ( -13.782 0.000 1.263) 13.840 30.947 ( 13.782 0.000 -1.263) 13.840 31.369 ( -5.211 0.000 1.512) 5.426 31.369 ( 5.211 0.000 -1.512) 5.426 31.571 ( 0.589 0.000 -5.010) 5.044 31.571 ( -0.589 0.000 5.010) 5.044 32.406 ( -0.031 0.000 -1.032) 1.032 32.406 ( 0.031 0.000 1.032) 1.032 32.935 ( -0.120 0.000 -3.268) 3.270 32.935 ( 0.120 0.000 3.268) 3.270 33.330 ( 1.773 0.000 -0.817) 1.952 33.330 ( -1.773 0.000 0.817) 1.952 ======================= Grid point 149 (66/88) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -1.316 0.000 -8.888) 8.984 0.978 ( 11.879 0.000 -14.007) 18.366 1.127 ( 4.080 0.000 -2.438) 4.753 1.287 ( 7.944 0.000 16.217) 18.058 1.425 ( 22.902 0.000 -22.350) 32.001 1.526 ( 0.636 0.000 -0.774) 1.002 1.568 ( -3.143 0.000 3.521) 4.720 1.616 ( 6.246 0.000 7.336) 9.635 1.968 ( 2.558 0.000 -1.263) 2.853 1.988 ( 2.967 0.000 0.897) 3.100 2.160 ( 0.538 0.000 -6.447) 6.470 2.291 ( -0.357 0.000 10.227) 10.234 2.427 ( -3.710 0.000 -7.156) 8.061 2.486 ( -1.080 0.000 0.918) 1.417 2.555 ( -0.060 0.000 -0.892) 0.894 2.739 ( 14.188 0.000 -3.446) 14.600 2.913 ( 0.898 0.000 8.546) 8.593 2.929 ( -2.366 0.000 9.401) 9.695 3.137 ( 2.284 0.000 -4.236) 4.812 3.296 ( -1.547 0.000 -12.980) 13.072 3.329 ( 4.232 0.000 4.261) 6.006 3.533 ( 1.153 0.000 4.829) 4.965 3.534 ( -3.509 0.000 -7.001) 7.831 3.625 ( 0.531 0.000 2.795) 2.845 3.663 ( -0.203 0.000 -4.294) 4.298 3.726 ( -2.246 0.000 7.296) 7.634 3.749 ( 5.964 0.000 -4.426) 7.427 3.938 ( 5.702 0.000 6.583) 8.709 4.050 ( -1.418 0.000 1.683) 2.201 4.099 ( 1.423 0.000 2.235) 2.650 4.366 ( 5.595 0.000 -4.679) 7.294 4.397 ( 2.474 0.000 -5.267) 5.820 4.430 ( -2.155 0.000 1.513) 2.633 4.570 ( 7.522 0.000 1.458) 7.662 4.798 ( -0.175 0.000 3.893) 3.896 4.866 ( -0.843 0.000 -2.174) 2.332 4.938 ( 2.242 0.000 5.212) 5.674 5.027 ( 5.317 0.000 -4.679) 7.083 5.325 ( 6.190 0.000 -2.517) 6.682 5.344 ( 2.465 0.000 -1.451) 2.860 5.650 ( 0.785 0.000 8.782) 8.817 5.657 ( 0.434 0.000 -2.460) 2.498 5.956 ( -6.272 0.000 2.532) 6.764 6.062 ( -2.847 0.000 2.776) 3.976 6.247 ( -3.723 0.000 -13.629) 14.128 6.519 ( -1.740 0.000 -1.603) 2.366 6.560 ( -2.780 0.000 4.214) 5.049 6.626 ( -1.300 0.000 -0.810) 1.532 7.085 ( -3.555 0.000 -9.891) 10.510 7.206 ( -6.001 0.000 6.909) 9.151 7.351 ( -15.143 0.000 7.536) 16.914 7.468 ( -8.210 0.000 -1.355) 8.321 7.744 ( -1.191 0.000 -8.557) 8.640 7.941 ( 3.512 0.000 9.122) 9.774 7.983 ( 1.990 0.000 -0.869) 2.172 8.143 ( -4.355 0.000 -2.850) 5.205 8.255 ( 5.164 0.000 -4.329) 6.738 8.344 ( 1.414 0.000 5.095) 5.287 8.830 ( 1.036 0.000 -0.356) 1.096 8.887 ( 1.735 0.000 1.932) 2.596 9.354 ( 0.934 0.000 -0.799) 1.229 9.363 ( -1.165 0.000 5.449) 5.572 9.817 ( -3.219 0.000 0.166) 3.223 9.913 ( 4.701 0.000 -4.339) 6.397 10.146 ( -1.514 0.000 -8.719) 8.850 10.248 ( 0.435 0.000 1.352) 1.420 10.318 ( -3.573 0.000 -1.254) 3.787 10.445 ( -1.355 0.000 -1.635) 2.123 10.526 ( -4.022 0.000 6.740) 7.849 10.786 ( 9.780 0.000 3.307) 10.324 11.080 ( 0.288 0.000 -0.192) 0.347 11.160 ( 4.242 0.000 -0.792) 4.315 12.020 ( 1.252 0.000 5.556) 5.695 12.053 ( 5.738 0.000 -4.130) 7.070 12.480 ( -0.726 0.000 -1.735) 1.881 12.526 ( -0.474 0.000 -0.044) 0.476 13.926 ( -2.671 0.000 -1.340) 2.988 13.940 ( -3.048 0.000 1.481) 3.389 14.030 ( -0.052 0.000 0.135) 0.145 14.051 ( 1.238 0.000 -0.517) 1.342 14.767 ( -4.002 0.000 -3.188) 5.117 14.800 ( -7.980 0.000 1.671) 8.153 15.120 ( -5.495 0.000 0.957) 5.578 15.132 ( -3.023 0.000 -1.824) 3.530 15.413 ( 0.730 0.000 -3.164) 3.247 15.420 ( 0.675 0.000 -0.795) 1.043 15.517 ( 1.469 0.000 1.711) 2.255 15.533 ( 2.816 0.000 1.169) 3.049 15.633 ( -2.631 0.000 1.743) 3.156 15.667 ( -1.148 0.000 1.290) 1.727 15.770 ( -5.148 0.000 4.257) 6.680 15.819 ( -12.656 0.000 -3.765) 13.204 16.321 ( -6.966 0.000 -0.891) 7.023 16.367 ( 10.692 0.000 6.838) 12.691 16.617 ( 5.940 0.000 -0.662) 5.976 16.626 ( 12.554 0.000 -1.548) 12.649 17.541 ( 0.152 0.000 -5.442) 5.444 17.547 ( -1.636 0.000 5.164) 5.417 17.878 ( -2.428 0.000 1.417) 2.811 17.879 ( -2.199 0.000 0.701) 2.308 21.092 ( -1.259 0.000 -0.595) 1.392 21.137 ( 1.308 0.000 -1.043) 1.673 21.614 ( -3.472 0.000 -1.280) 3.701 21.689 ( -1.295 0.000 0.921) 1.589 27.001 ( -3.946 0.000 -3.441) 5.236 27.158 ( -0.035 0.000 4.584) 4.584 27.203 ( -14.721 0.000 -7.839) 16.678 27.312 ( -6.012 0.000 0.075) 6.013 28.899 ( -0.596 0.000 0.887) 1.069 28.900 ( 0.590 0.000 -1.872) 1.963 29.039 ( -3.284 0.000 1.402) 3.570 29.063 ( -0.212 0.000 1.084) 1.104 29.600 ( -2.836 0.000 -2.712) 3.924 29.671 ( -4.857 0.000 -0.589) 4.893 30.105 ( -7.735 0.000 -1.647) 7.908 30.206 ( -0.055 0.000 2.637) 2.637 30.274 ( 1.616 0.000 -4.093) 4.400 30.297 ( -1.238 0.000 3.681) 3.883 30.769 ( -1.957 0.000 -2.423) 3.115 30.810 ( -1.771 0.000 1.697) 2.453 30.917 ( 3.029 0.000 -0.663) 3.101 31.130 ( 7.004 0.000 -4.082) 8.106 31.465 ( 7.341 0.000 4.337) 8.527 31.524 ( 2.905 0.000 -3.659) 4.672 31.584 ( 8.166 0.000 -1.795) 8.361 31.628 ( 3.828 0.000 4.786) 6.129 32.419 ( 2.220 0.000 -0.903) 2.397 32.431 ( 1.573 0.000 1.692) 2.310 32.932 ( 1.299 0.000 -3.944) 4.153 32.985 ( 0.382 0.000 3.671) 3.691 33.367 ( 6.218 0.000 -5.532) 8.323 33.525 ( 14.163 0.000 14.041) 19.944 ======================= Grid point 150 (67/88) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 8.775 0.000 -5.159) 10.179 1.143 ( 13.440 0.000 -8.631) 15.973 1.200 ( 5.970 0.000 -1.400) 6.132 1.444 ( -2.513 0.000 10.984) 11.267 1.509 ( 1.475 0.000 1.126) 1.856 1.510 ( -2.065 0.000 -2.269) 3.068 1.777 ( 6.806 0.000 0.329) 6.814 1.824 ( 15.733 0.000 -4.299) 16.310 2.055 ( 3.213 0.000 -2.066) 3.821 2.060 ( 9.891 0.000 -3.055) 10.352 2.147 ( 3.504 0.000 -4.492) 5.697 2.220 ( -3.955 0.000 -7.872) 8.809 2.383 ( -0.682 0.000 1.557) 1.700 2.462 ( -2.518 0.000 0.539) 2.575 2.561 ( 1.610 0.000 7.208) 7.386 2.958 ( 7.984 0.000 2.247) 8.294 3.016 ( 4.632 0.000 4.515) 6.468 3.096 ( 9.820 0.000 8.522) 13.002 3.148 ( -0.919 0.000 -7.912) 7.965 3.216 ( 1.719 0.000 -1.507) 2.286 3.426 ( 4.175 0.000 -0.245) 4.182 3.479 ( 6.092 0.000 -7.693) 9.813 3.541 ( 0.706 0.000 -0.453) 0.839 3.650 ( 2.416 0.000 -1.517) 2.853 3.683 ( 1.038 0.000 6.350) 6.434 3.752 ( -0.124 0.000 4.326) 4.328 3.837 ( 1.866 0.000 4.015) 4.427 3.973 ( -1.498 0.000 2.090) 2.571 4.158 ( 1.328 0.000 4.181) 4.387 4.210 ( 11.237 0.000 4.624) 12.152 4.337 ( -5.671 0.000 4.664) 7.343 4.441 ( 7.264 0.000 -9.980) 12.343 4.456 ( 7.465 0.000 -8.787) 11.529 4.693 ( -4.395 0.000 -7.055) 8.311 4.693 ( 4.310 0.000 -1.335) 4.512 4.967 ( 5.067 0.000 4.908) 7.055 5.025 ( -1.373 0.000 0.915) 1.650 5.045 ( 4.582 0.000 4.087) 6.140 5.330 ( -1.499 0.000 -3.205) 3.539 5.452 ( 7.902 0.000 -5.051) 9.378 5.624 ( -2.653 0.000 1.788) 3.199 5.808 ( 3.445 0.000 12.473) 12.940 5.876 ( -2.101 0.000 -1.825) 2.782 6.028 ( -1.298 0.000 3.104) 3.365 6.115 ( 1.634 0.000 -14.807) 14.897 6.408 ( -10.107 0.000 8.717) 13.347 6.555 ( -6.448 0.000 2.141) 6.795 6.572 ( 4.685 0.000 -10.410) 11.416 6.964 ( -1.944 0.000 -6.670) 6.948 7.061 ( -14.231 0.000 6.278) 15.555 7.193 ( -7.077 0.000 6.808) 9.820 7.342 ( -4.037 0.000 1.260) 4.229 7.644 ( -2.633 0.000 -10.040) 10.379 7.977 ( -4.853 0.000 3.740) 6.127 8.022 ( -1.704 0.000 5.510) 5.767 8.060 ( -1.402 0.000 -4.052) 4.288 8.298 ( 1.555 0.000 0.750) 1.726 8.379 ( 0.058 0.000 2.036) 2.036 8.846 ( 0.121 0.000 1.008) 1.015 8.896 ( -1.923 0.000 0.147) 1.929 9.398 ( 3.349 0.000 1.968) 3.884 9.410 ( 1.367 0.000 6.347) 6.492 9.752 ( -2.228 0.000 -3.396) 4.061 9.961 ( 1.483 0.000 -5.513) 5.709 10.062 ( 0.546 0.000 -1.548) 1.642 10.249 ( 0.361 0.000 -2.084) 2.115 10.284 ( 1.003 0.000 -3.954) 4.079 10.387 ( -2.899 0.000 -0.902) 3.036 10.501 ( -4.616 0.000 7.452) 8.766 10.941 ( 4.168 0.000 1.101) 4.311 11.106 ( 2.640 0.000 -0.706) 2.733 11.228 ( 3.406 0.000 -0.944) 3.534 12.105 ( 2.400 0.000 5.094) 5.631 12.142 ( 6.708 0.000 -3.313) 7.481 12.475 ( 0.693 0.000 0.775) 1.040 12.496 ( -2.136 0.000 -1.247) 2.473 13.862 ( -2.584 0.000 -1.798) 3.148 13.894 ( -3.127 0.000 2.111) 3.773 14.029 ( -0.501 0.000 1.211) 1.311 14.070 ( 1.625 0.000 -1.116) 1.972 14.654 ( -4.717 0.000 -3.811) 6.064 14.677 ( -2.917 0.000 -2.597) 3.905 15.011 ( -7.170 0.000 3.096) 7.810 15.044 ( -4.138 0.000 -2.356) 4.762 15.424 ( 2.608 0.000 -2.701) 3.754 15.436 ( 0.262 0.000 0.801) 0.843 15.502 ( -2.460 0.000 -0.808) 2.589 15.565 ( 0.402 0.000 -0.263) 0.480 15.599 ( -1.107 0.000 -0.174) 1.120 15.691 ( -0.573 0.000 7.592) 7.613 15.699 ( -0.607 0.000 0.694) 0.922 15.776 ( 1.815 0.000 0.300) 1.840 16.203 ( -3.353 0.000 -1.181) 3.555 16.484 ( 0.362 0.000 -0.228) 0.428 16.725 ( 3.888 0.000 2.103) 4.420 16.771 ( 4.368 0.000 -1.440) 4.600 17.492 ( -0.476 0.000 -3.905) 3.934 17.567 ( 0.056 0.000 3.379) 3.379 17.816 ( -4.815 0.000 0.518) 4.843 17.821 ( -4.180 0.000 0.067) 4.181 21.087 ( 1.649 0.000 -1.090) 1.977 21.158 ( 1.599 0.000 -0.457) 1.663 21.541 ( -3.349 0.000 -0.658) 3.413 21.657 ( -2.708 0.000 0.858) 2.840 26.877 ( -5.636 0.000 -4.779) 7.389 26.951 ( -4.295 0.000 -4.196) 6.005 27.154 ( -3.207 0.000 2.019) 3.790 27.222 ( -3.840 0.000 0.371) 3.858 28.897 ( -0.107 0.000 0.230) 0.253 28.901 ( 0.791 0.000 -1.307) 1.528 28.978 ( -2.857 0.000 -0.383) 2.883 29.061 ( -1.140 0.000 1.308) 1.735 29.557 ( -0.607 0.000 -0.528) 0.805 29.618 ( 0.269 0.000 -2.101) 2.118 29.940 ( -7.603 0.000 -1.774) 7.807 30.171 ( -5.650 0.000 3.110) 6.449 30.319 ( 0.314 0.000 4.600) 4.610 30.360 ( 9.012 0.000 -3.887) 9.815 30.729 ( -0.302 0.000 -2.528) 2.546 30.825 ( -0.207 0.000 4.239) 4.244 30.932 ( 0.049 0.000 -1.676) 1.676 31.201 ( 3.453 0.000 -3.784) 5.123 31.478 ( -2.071 0.000 -5.884) 6.238 31.563 ( -1.469 0.000 10.453) 10.556 31.696 ( 4.661 0.000 -3.642) 5.915 31.769 ( 5.572 0.000 2.248) 6.008 32.465 ( 4.122 0.000 -3.000) 5.098 32.499 ( 3.851 0.000 2.754) 4.734 32.904 ( -0.963 0.000 -3.051) 3.199 33.007 ( -0.035 0.000 3.571) 3.571 33.461 ( 11.181 0.000 -12.741) 16.951 33.885 ( 5.473 0.000 21.125) 21.822 ======================= Grid point 151 (68/88) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 12.822 0.000 7.213) 14.712 1.276 ( 3.918 0.000 -4.185) 5.732 1.308 ( 6.280 0.000 -0.825) 6.334 1.418 ( -2.081 0.000 2.046) 2.919 1.510 ( 3.073 0.000 -1.282) 3.330 1.561 ( 2.597 0.000 1.837) 3.181 1.865 ( 2.557 0.000 0.690) 2.648 1.893 ( -2.158 0.000 -2.365) 3.202 2.034 ( -1.204 0.000 -0.327) 1.248 2.080 ( 2.850 0.000 -3.275) 4.341 2.194 ( 3.905 0.000 -5.475) 6.725 2.258 ( -1.798 0.000 0.168) 1.806 2.402 ( -3.471 0.000 0.489) 3.506 2.443 ( 7.206 0.000 2.555) 7.645 2.685 ( 1.396 0.000 5.188) 5.372 3.064 ( 1.373 0.000 -5.420) 5.592 3.070 ( 0.863 0.000 2.920) 3.045 3.130 ( 2.629 0.000 1.521) 3.037 3.297 ( 4.925 0.000 6.876) 8.458 3.316 ( 11.849 0.000 0.765) 11.874 3.441 ( -0.748 0.000 -0.945) 1.205 3.622 ( 5.976 0.000 -3.458) 6.904 3.643 ( 13.234 0.000 -3.243) 13.626 3.735 ( 5.856 0.000 2.649) 6.427 3.753 ( 1.021 0.000 0.550) 1.160 3.800 ( 5.916 0.000 2.622) 6.471 3.870 ( -2.270 0.000 6.591) 6.971 3.967 ( -1.505 0.000 2.595) 3.000 4.175 ( -2.651 0.000 3.166) 4.129 4.321 ( -0.370 0.000 5.995) 6.006 4.374 ( 2.105 0.000 -5.251) 5.657 4.484 ( 7.183 0.000 -7.342) 10.271 4.559 ( 9.436 0.000 -6.667) 11.553 4.614 ( 0.727 0.000 -1.811) 1.952 4.743 ( 3.787 0.000 -2.617) 4.603 5.007 ( -2.203 0.000 2.174) 3.095 5.075 ( 3.022 0.000 3.268) 4.451 5.166 ( 4.497 0.000 2.761) 5.277 5.267 ( -1.241 0.000 -5.277) 5.421 5.484 ( -1.269 0.000 -2.319) 2.643 5.627 ( 0.690 0.000 2.411) 2.508 5.853 ( 3.304 0.000 -7.838) 8.506 5.864 ( -4.065 0.000 6.611) 7.761 6.088 ( 2.194 0.000 4.832) 5.307 6.097 ( 7.389 0.000 -10.204) 12.598 6.284 ( -10.015 0.000 8.431) 13.091 6.439 ( -6.686 0.000 1.619) 6.879 6.568 ( 1.072 0.000 -4.330) 4.460 6.863 ( -11.275 0.000 8.567) 14.161 6.915 ( 1.540 0.000 -6.444) 6.625 7.130 ( -5.098 0.000 5.021) 7.155 7.336 ( 1.608 0.000 2.473) 2.950 7.481 ( -5.380 0.000 -11.665) 12.846 7.908 ( -4.448 0.000 2.830) 5.272 7.976 ( -4.178 0.000 -4.448) 6.103 7.978 ( -6.843 0.000 4.913) 8.424 8.323 ( 0.810 0.000 0.873) 1.191 8.413 ( 2.867 0.000 0.131) 2.870 8.829 ( -3.957 0.000 -1.685) 4.301 8.844 ( -1.693 0.000 1.984) 2.608 9.495 ( 4.419 0.000 2.483) 5.069 9.499 ( 2.460 0.000 6.532) 6.980 9.689 ( -0.755 0.000 -5.013) 5.070 9.874 ( -3.471 0.000 -5.706) 6.678 10.150 ( 3.155 0.000 6.918) 7.603 10.245 ( 1.926 0.000 -3.870) 4.323 10.288 ( 3.909 0.000 -5.303) 6.588 10.340 ( -2.335 0.000 1.609) 2.836 10.470 ( -4.011 0.000 5.990) 7.209 10.950 ( -1.838 0.000 -4.011) 4.413 11.160 ( 3.337 0.000 -0.495) 3.374 11.269 ( 1.827 0.000 -1.298) 2.241 12.168 ( 1.339 0.000 2.611) 2.934 12.250 ( 6.903 0.000 -2.219) 7.251 12.433 ( -3.090 0.000 -1.896) 3.625 12.509 ( 0.677 0.000 3.217) 3.287 13.811 ( -1.149 0.000 -2.032) 2.334 13.855 ( -2.867 0.000 2.438) 3.763 14.033 ( -0.529 0.000 2.564) 2.618 14.093 ( 1.744 0.000 -1.789) 2.498 14.580 ( -0.379 0.000 -3.714) 3.734 14.624 ( -0.622 0.000 -2.334) 2.415 14.911 ( -5.740 0.000 2.723) 6.353 14.953 ( -4.086 0.000 -0.830) 4.170 15.428 ( -2.115 0.000 1.560) 2.628 15.443 ( -2.296 0.000 -1.468) 2.725 15.468 ( 2.806 0.000 0.140) 2.809 15.576 ( 0.830 0.000 1.032) 1.324 15.601 ( 2.051 0.000 -1.514) 2.549 15.716 ( 1.048 0.000 -0.386) 1.117 15.718 ( -0.955 0.000 2.642) 2.810 15.804 ( 0.341 0.000 0.450) 0.564 16.208 ( 3.334 0.000 2.296) 4.048 16.455 ( -0.404 0.000 -4.028) 4.049 16.767 ( -0.340 0.000 0.397) 0.522 16.787 ( -1.211 0.000 -0.829) 1.467 17.483 ( 0.821 0.000 0.170) 0.838 17.594 ( 0.573 0.000 1.782) 1.872 17.722 ( -4.574 0.000 -0.667) 4.623 17.729 ( -5.063 0.000 -0.993) 5.159 21.129 ( 3.277 0.000 -0.734) 3.359 21.189 ( 1.750 0.000 0.093) 1.753 21.483 ( -2.419 0.000 -0.130) 2.422 21.601 ( -3.935 0.000 0.807) 4.017 26.809 ( -0.259 0.000 1.045) 1.077 26.887 ( -1.862 0.000 0.424) 1.909 27.084 ( -4.042 0.000 -1.318) 4.251 27.153 ( -3.364 0.000 -1.723) 3.779 28.899 ( 0.333 0.000 -0.223) 0.401 28.909 ( 0.851 0.000 -0.541) 1.008 28.936 ( -1.271 0.000 -0.425) 1.340 29.039 ( -2.020 0.000 0.539) 2.091 29.564 ( 0.992 0.000 1.376) 1.696 29.622 ( 1.383 0.000 -2.077) 2.495 29.813 ( -4.898 0.000 0.072) 4.899 30.069 ( -6.916 0.000 1.730) 7.129 30.376 ( 1.814 0.000 4.625) 4.968 30.500 ( 9.077 0.000 -5.802) 10.773 30.718 ( 0.613 0.000 -1.195) 1.343 30.816 ( -2.310 0.000 -1.415) 2.710 30.955 ( 1.995 0.000 4.550) 4.969 31.184 ( -1.860 0.000 -3.989) 4.402 31.376 ( -3.803 0.000 -3.983) 5.507 31.602 ( -3.703 0.000 11.310) 11.901 31.721 ( 1.300 0.000 -2.998) 3.268 31.831 ( -0.051 0.000 0.814) 0.816 32.527 ( 5.520 0.000 -4.876) 7.365 32.590 ( 3.205 0.000 0.594) 3.260 32.888 ( 1.203 0.000 1.405) 1.849 33.046 ( 1.190 0.000 2.820) 3.061 33.593 ( 13.609 0.000 -13.486) 19.159 34.036 ( -2.709 0.000 13.662) 13.928 ======================= Grid point 152 (69/88) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 4.198 0.000 3.368) 5.382 1.276 ( 1.431 0.000 -3.005) 3.329 1.391 ( 0.243 0.000 1.351) 1.373 1.392 ( -1.961 0.000 0.138) 1.966 1.589 ( 4.740 0.000 -1.266) 4.906 1.620 ( 2.064 0.000 0.967) 2.279 1.859 ( 1.143 0.000 0.222) 1.164 1.899 ( 0.308 0.000 1.129) 1.170 2.076 ( 1.225 0.000 5.400) 5.537 2.118 ( 2.926 0.000 -3.148) 4.298 2.192 ( 0.387 0.000 -2.622) 2.651 2.210 ( -1.257 0.000 1.090) 1.664 2.386 ( 3.241 0.000 -2.348) 4.002 2.565 ( 1.378 0.000 2.753) 3.079 2.648 ( -4.116 0.000 4.066) 5.786 3.008 ( -7.586 0.000 -2.569) 8.009 3.104 ( 6.809 0.000 -2.706) 7.327 3.235 ( 4.817 0.000 5.569) 7.363 3.381 ( -2.532 0.000 -0.677) 2.621 3.410 ( -1.594 0.000 4.714) 4.976 3.559 ( 11.275 0.000 -1.475) 11.371 3.659 ( 2.611 0.000 -3.357) 4.253 3.774 ( 1.448 0.000 -0.770) 1.640 3.806 ( 0.072 0.000 4.342) 4.343 3.870 ( 1.252 0.000 3.101) 3.344 3.899 ( -0.255 0.000 -1.421) 1.444 3.921 ( 7.209 0.000 5.183) 8.879 3.977 ( 4.609 0.000 -1.686) 4.908 4.162 ( 0.266 0.000 3.700) 3.709 4.309 ( 0.834 0.000 -11.030) 11.061 4.381 ( 3.086 0.000 2.939) 4.261 4.539 ( 0.298 0.000 -0.670) 0.733 4.662 ( 4.757 0.000 1.882) 5.115 4.712 ( 7.791 0.000 -0.084) 7.791 4.798 ( 3.473 0.000 -3.016) 4.600 4.946 ( -5.560 0.000 0.496) 5.582 5.134 ( 0.722 0.000 3.405) 3.480 5.226 ( 0.575 0.000 -0.948) 1.109 5.227 ( 2.233 0.000 -5.525) 5.959 5.389 ( -6.274 0.000 -1.923) 6.562 5.676 ( 2.573 0.000 2.542) 3.617 5.816 ( -3.602 0.000 1.001) 3.739 5.869 ( 6.072 0.000 -9.792) 11.522 6.078 ( -9.629 0.000 8.128) 12.601 6.210 ( 8.688 0.000 -6.737) 10.994 6.215 ( -1.471 0.000 4.772) 4.994 6.364 ( -0.697 0.000 0.907) 1.143 6.540 ( -3.118 0.000 0.829) 3.226 6.809 ( -2.705 0.000 11.430) 11.745 6.901 ( 2.023 0.000 -6.655) 6.955 7.078 ( -3.817 0.000 4.662) 6.025 7.280 ( -5.664 0.000 -12.256) 13.501 7.433 ( 6.921 0.000 1.121) 7.011 7.796 ( -10.216 0.000 1.759) 10.366 7.883 ( -5.372 0.000 3.232) 6.270 7.887 ( -1.494 0.000 -2.952) 3.309 8.364 ( 3.575 0.000 -0.299) 3.588 8.461 ( 1.029 0.000 0.397) 1.103 8.754 ( -1.236 0.000 -2.842) 3.099 8.809 ( -3.648 0.000 2.158) 4.239 9.579 ( 2.592 0.000 1.543) 3.017 9.586 ( 1.465 0.000 5.051) 5.260 9.656 ( 1.030 0.000 -3.372) 3.526 9.770 ( -3.328 0.000 -4.115) 5.293 10.224 ( 1.024 0.000 3.069) 3.235 10.262 ( 1.876 0.000 -1.945) 2.702 10.319 ( -0.495 0.000 0.037) 0.497 10.353 ( 0.250 0.000 4.557) 4.564 10.477 ( 3.625 0.000 2.721) 4.533 10.829 ( -5.729 0.000 -7.534) 9.465 11.216 ( 2.576 0.000 0.253) 2.589 11.277 ( 0.226 0.000 -1.464) 1.481 12.212 ( 1.907 0.000 1.648) 2.521 12.337 ( -0.990 0.000 -0.716) 1.222 12.383 ( 4.190 0.000 -2.754) 5.014 12.524 ( -2.111 0.000 3.007) 3.674 13.790 ( 0.575 0.000 -1.999) 2.080 13.823 ( -2.495 0.000 2.265) 3.370 14.050 ( -0.247 0.000 3.700) 3.709 14.099 ( 0.810 0.000 -3.186) 3.288 14.572 ( 1.578 0.000 -1.923) 2.487 14.610 ( 0.220 0.000 -1.300) 1.318 14.845 ( -2.613 0.000 1.145) 2.853 14.882 ( -3.226 0.000 0.222) 3.234 15.389 ( -2.408 0.000 0.652) 2.495 15.391 ( -2.396 0.000 0.133) 2.399 15.537 ( 3.925 0.000 0.557) 3.964 15.616 ( 1.928 0.000 0.533) 2.001 15.636 ( 2.381 0.000 -0.302) 2.400 15.705 ( -0.795 0.000 -1.096) 1.354 15.719 ( 0.322 0.000 -1.470) 1.504 15.791 ( -2.234 0.000 0.954) 2.429 16.326 ( 5.304 0.000 3.973) 6.627 16.433 ( 1.286 0.000 -3.508) 3.736 16.735 ( -3.418 0.000 0.187) 3.423 16.735 ( -2.187 0.000 -1.154) 2.473 17.510 ( 0.928 0.000 2.032) 2.234 17.611 ( -0.041 0.000 0.264) 0.267 17.629 ( -3.696 0.000 -1.502) 3.989 17.651 ( -2.333 0.000 -0.448) 2.376 21.187 ( 3.374 0.000 -1.224) 3.590 21.220 ( 0.890 0.000 1.100) 1.415 21.451 ( -0.560 0.000 -0.408) 0.693 21.527 ( -4.311 0.000 0.779) 4.381 26.851 ( 1.062 0.000 5.227) 5.334 26.887 ( 0.947 0.000 2.675) 2.838 26.992 ( -3.372 0.000 -3.806) 5.084 27.066 ( -3.460 0.000 -4.182) 5.428 28.905 ( 0.510 0.000 -0.368) 0.629 28.917 ( -0.364 0.000 0.151) 0.394 28.928 ( 1.078 0.000 -0.169) 1.091 28.998 ( -2.260 0.000 -0.200) 2.269 29.607 ( 1.120 0.000 3.275) 3.461 29.631 ( 1.508 0.000 -2.724) 3.114 29.764 ( -0.544 0.000 1.208) 1.325 29.943 ( -6.980 0.000 -0.061) 6.980 30.453 ( 2.530 0.000 4.489) 5.153 30.579 ( 3.730 0.000 -7.257) 8.160 30.734 ( 0.503 0.000 2.386) 2.439 30.765 ( 0.378 0.000 -4.146) 4.163 31.019 ( -0.325 0.000 4.019) 4.032 31.096 ( -3.340 0.000 -4.022) 5.228 31.333 ( 1.698 0.000 1.937) 2.576 31.574 ( -6.467 0.000 5.244) 8.326 31.722 ( 1.065 0.000 -1.356) 1.725 31.801 ( -2.816 0.000 0.252) 2.828 32.584 ( 4.215 0.000 -4.695) 6.310 32.615 ( 0.232 0.000 -0.550) 0.597 32.971 ( 3.618 0.000 4.850) 6.051 33.078 ( 0.563 0.000 0.062) 0.566 33.757 ( 13.371 0.000 -10.463) 16.978 34.024 ( -7.159 0.000 8.773) 11.324 ======================= Grid point 153 (70/88) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.844 0.000 -1.269) 1.524 1.294 ( -0.844 0.000 1.269) 1.524 1.368 ( 1.096 0.000 -1.636) 1.969 1.368 ( -1.096 0.000 1.636) 1.969 1.638 ( 1.101 0.000 -0.686) 1.297 1.638 ( -1.101 0.000 0.686) 1.297 1.892 ( 1.627 0.000 -0.605) 1.736 1.892 ( -1.627 0.000 0.605) 1.736 2.108 ( -0.140 0.000 -2.624) 2.628 2.108 ( 0.140 0.000 2.624) 2.628 2.217 ( 2.534 0.000 -3.232) 4.107 2.217 ( -2.534 0.000 3.232) 4.107 2.475 ( 7.506 0.000 -2.512) 7.915 2.475 ( -7.506 0.000 2.512) 7.915 2.787 ( -10.052 0.000 -6.437) 11.937 2.787 ( 10.052 0.000 6.437) 11.937 3.249 ( -8.800 0.000 0.292) 8.805 3.249 ( 8.800 0.000 -0.292) 8.805 3.369 ( -4.978 0.000 -2.164) 5.429 3.369 ( 4.978 0.000 2.164) 5.429 3.675 ( -1.684 0.000 0.361) 1.722 3.675 ( 1.684 0.000 -0.361) 1.722 3.791 ( 3.831 0.000 -6.002) 7.121 3.791 ( -3.831 0.000 6.002) 7.121 3.882 ( 1.330 0.000 -2.806) 3.105 3.882 ( -1.330 0.000 2.806) 3.105 4.017 ( -0.285 0.000 -1.423) 1.452 4.017 ( 0.285 0.000 1.423) 1.452 4.239 ( -1.341 0.000 -7.452) 7.571 4.239 ( 1.341 0.000 7.452) 7.571 4.486 ( -4.789 0.000 -1.547) 5.032 4.486 ( 4.789 0.000 1.547) 5.032 4.775 ( -4.355 0.000 -2.552) 5.047 4.775 ( 4.355 0.000 2.552) 5.047 4.838 ( -4.634 0.000 -1.723) 4.944 4.838 ( 4.634 0.000 1.723) 4.944 5.181 ( -1.874 0.000 -4.023) 4.438 5.181 ( 1.874 0.000 4.023) 4.438 5.272 ( 5.310 0.000 -1.901) 5.640 5.272 ( -5.310 0.000 1.901) 5.640 5.749 ( -3.148 0.000 -1.731) 3.592 5.749 ( 3.148 0.000 1.731) 3.592 5.946 ( 9.532 0.000 -8.215) 12.583 5.946 ( -9.532 0.000 8.215) 12.583 6.238 ( 1.082 0.000 -5.219) 5.330 6.238 ( -1.082 0.000 5.219) 5.330 6.452 ( -6.864 0.000 0.990) 6.935 6.452 ( 6.864 0.000 -0.990) 6.935 6.875 ( 0.578 0.000 -8.057) 8.078 6.875 ( -0.578 0.000 8.057) 8.078 7.106 ( -2.178 0.000 -9.834) 10.072 7.106 ( 2.178 0.000 9.834) 10.072 7.602 ( -10.450 0.000 0.531) 10.464 7.602 ( 10.450 0.000 -0.531) 10.464 7.852 ( 0.506 0.000 -2.760) 2.806 7.852 ( -0.506 0.000 2.760) 2.806 8.437 ( -3.689 0.000 0.626) 3.742 8.437 ( 3.689 0.000 -0.626) 3.742 8.756 ( 3.341 0.000 -2.732) 4.316 8.756 ( -3.341 0.000 2.732) 4.316 9.612 ( -0.148 0.000 -0.550) 0.570 9.612 ( 0.148 0.000 0.550) 0.570 9.690 ( -2.290 0.000 -2.826) 3.637 9.690 ( 2.290 0.000 2.826) 3.637 10.259 ( 1.806 0.000 -0.977) 2.054 10.259 ( -1.806 0.000 0.977) 2.054 10.336 ( 4.106 0.000 -5.107) 6.553 10.336 ( -4.106 0.000 5.107) 6.553 10.641 ( -7.714 0.000 -6.827) 10.301 10.641 ( 7.714 0.000 6.827) 10.301 11.257 ( -1.237 0.000 -1.117) 1.667 11.257 ( 1.237 0.000 1.117) 1.667 12.271 ( -3.048 0.000 -1.511) 3.402 12.271 ( 3.048 0.000 1.511) 3.402 12.473 ( 5.159 0.000 -2.082) 5.564 12.473 ( -5.159 0.000 2.082) 5.564 13.798 ( 1.822 0.000 -2.030) 2.728 13.798 ( -1.822 0.000 2.030) 2.728 14.078 ( 0.148 0.000 -4.044) 4.046 14.078 ( -0.148 0.000 4.044) 4.046 14.596 ( -1.400 0.000 0.231) 1.419 14.596 ( 1.400 0.000 -0.231) 1.419 14.838 ( -1.400 0.000 0.215) 1.416 14.838 ( 1.400 0.000 -0.215) 1.416 15.366 ( 0.128 0.000 -0.272) 0.300 15.366 ( -0.128 0.000 0.272) 0.300 15.609 ( -2.505 0.000 -0.972) 2.687 15.609 ( 2.505 0.000 0.972) 2.687 15.677 ( -1.044 0.000 -1.636) 1.941 15.677 ( 1.044 0.000 1.636) 1.941 15.742 ( 3.392 0.000 -1.260) 3.619 15.742 ( -3.392 0.000 1.260) 3.619 16.422 ( -1.163 0.000 -3.034) 3.249 16.422 ( 1.163 0.000 3.034) 3.249 16.697 ( 0.379 0.000 -1.539) 1.586 16.697 ( -0.379 0.000 1.539) 1.586 17.551 ( -2.036 0.000 -2.110) 2.932 17.551 ( 2.036 0.000 2.110) 2.932 17.625 ( -0.603 0.000 0.006) 0.603 17.625 ( 0.603 0.000 -0.006) 0.603 21.226 ( 1.709 0.000 -1.774) 2.463 21.226 ( -1.709 0.000 1.774) 2.463 21.464 ( 2.617 0.000 -0.914) 2.772 21.464 ( -2.617 0.000 0.914) 2.772 26.910 ( -1.629 0.000 -4.940) 5.202 26.910 ( 1.629 0.000 4.940) 5.202 26.965 ( -3.281 0.000 -4.977) 5.961 26.965 ( 3.281 0.000 4.977) 5.961 28.911 ( 0.401 0.000 -0.255) 0.476 28.911 ( -0.401 0.000 0.255) 0.476 28.957 ( -1.811 0.000 -0.336) 1.842 28.957 ( 1.811 0.000 0.336) 1.842 29.633 ( 1.112 0.000 -3.469) 3.643 29.633 ( -1.112 0.000 3.469) 3.643 29.820 ( -5.003 0.000 -1.331) 5.177 29.820 ( 5.003 0.000 1.331) 5.177 30.535 ( -1.988 0.000 -5.185) 5.553 30.535 ( 1.988 0.000 5.185) 5.553 30.759 ( 1.958 0.000 -6.296) 6.593 30.759 ( -1.958 0.000 6.296) 6.593 31.029 ( 0.286 0.000 -4.507) 4.516 31.029 ( -0.286 0.000 4.507) 4.516 31.450 ( -7.274 0.000 -1.624) 7.453 31.450 ( 7.274 0.000 1.624) 7.453 31.749 ( -2.586 0.000 0.431) 2.622 31.749 ( 2.586 0.000 -0.431) 2.622 32.610 ( 1.628 0.000 -2.519) 2.999 32.610 ( -1.628 0.000 2.519) 2.999 33.056 ( -1.726 0.000 -3.111) 3.558 33.056 ( 1.726 0.000 3.111) 3.558 33.917 ( 10.804 0.000 -8.021) 13.456 33.917 ( -10.804 0.000 8.021) 13.456 ======================= Grid point 159 (71/88) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 3.537 1.756 -15.813) 16.299 0.881 ( -3.537 1.756 15.813) 16.299 1.137 ( -3.544 7.104 -16.898) 18.670 1.137 ( 3.544 7.104 16.898) 18.670 1.532 ( 0.500 1.929 -6.521) 6.819 1.532 ( -0.500 1.929 6.521) 6.819 1.648 ( 4.473 12.132 -8.688) 15.578 1.648 ( -4.473 12.132 8.688) 15.578 1.919 ( 0.484 -2.988 -2.408) 3.868 1.919 ( -0.484 -2.988 2.408) 3.868 2.208 ( 0.757 0.228 -2.817) 2.926 2.208 ( -0.757 0.228 2.817) 2.926 2.438 ( 2.670 -4.795 -2.513) 6.036 2.438 ( -2.670 -4.795 2.513) 6.036 2.606 ( 1.492 1.701 -2.099) 3.086 2.606 ( -1.492 1.701 2.099) 3.086 2.952 ( -1.999 4.326 -4.174) 6.335 2.952 ( 1.999 4.326 4.174) 6.335 3.155 ( -2.535 -7.354 -3.883) 8.694 3.155 ( 2.535 -7.354 3.883) 8.694 3.402 ( -1.093 0.375 -5.596) 5.714 3.402 ( 1.093 0.375 5.596) 5.714 3.513 ( 2.642 -9.508 -10.795) 14.626 3.513 ( -2.642 -9.508 10.795) 14.626 3.659 ( -3.200 0.144 -1.175) 3.412 3.659 ( 3.200 0.144 1.175) 3.412 3.821 ( -3.067 5.200 -5.895) 8.438 3.821 ( 3.067 5.200 5.895) 8.438 4.146 ( 4.413 1.055 -1.753) 4.865 4.146 ( -4.413 1.055 1.753) 4.865 4.324 ( -7.070 -2.819 -2.971) 8.171 4.324 ( 7.070 -2.819 2.971) 8.171 4.434 ( -1.160 2.087 -3.541) 4.271 4.434 ( 1.160 2.087 3.541) 4.271 4.819 ( -4.765 0.944 -2.079) 5.284 4.819 ( 4.765 0.944 2.079) 5.284 4.980 ( 3.576 1.906 -8.459) 9.379 4.980 ( -3.576 1.906 8.459) 9.379 5.498 ( 2.158 11.071 -4.049) 11.984 5.498 ( -2.158 11.071 4.049) 11.984 5.559 ( 3.031 -3.062 -6.609) 7.889 5.559 ( -3.031 -3.062 6.609) 7.889 6.048 ( 3.171 -1.130 -5.947) 6.834 6.048 ( -3.171 -1.130 5.947) 6.834 6.371 ( -10.677 -2.570 2.858) 11.347 6.371 ( 10.677 -2.570 -2.858) 11.347 6.573 ( 5.640 -2.776 -12.057) 13.598 6.573 ( -5.640 -2.776 12.057) 13.598 7.173 ( -1.201 -0.091 -2.067) 2.393 7.173 ( 1.201 -0.091 2.067) 2.393 7.556 ( -5.103 -0.279 -1.829) 5.428 7.556 ( 5.103 -0.279 1.829) 5.428 7.944 ( 4.214 4.948 -6.447) 9.155 7.944 ( -4.214 4.948 6.447) 9.155 8.071 ( -1.773 -2.679 -4.143) 5.243 8.071 ( 1.773 -2.679 4.143) 5.243 8.262 ( 0.048 3.519 -6.853) 7.704 8.262 ( -0.048 3.519 6.853) 7.704 8.744 ( 2.463 -8.130 -1.748) 8.673 8.744 ( -2.463 -8.130 1.748) 8.673 9.474 ( 2.570 10.376 -5.499) 12.021 9.474 ( -2.570 10.376 5.499) 12.021 9.862 ( 2.080 -0.088 -3.683) 4.231 9.862 ( -2.080 -0.088 3.683) 4.231 10.194 ( -0.036 -1.337 -4.648) 4.836 10.194 ( 0.036 -1.337 4.648) 4.836 10.455 ( 0.551 1.856 -3.048) 3.611 10.455 ( -0.551 1.856 3.048) 3.611 10.590 ( -3.183 -0.001 -2.912) 4.314 10.590 ( 3.183 -0.001 2.912) 4.314 11.051 ( -1.910 -4.850 0.099) 5.214 11.051 ( 1.910 -4.850 -0.099) 5.214 12.044 ( 2.448 4.314 -3.523) 6.084 12.044 ( -2.448 4.314 3.523) 6.084 12.489 ( -0.894 -2.400 -1.760) 3.108 12.489 ( 0.894 -2.400 1.760) 3.108 13.959 ( -0.832 -1.019 -1.893) 2.305 13.959 ( 0.832 -1.019 1.893) 2.305 14.015 ( 1.488 -0.765 -0.764) 1.840 14.015 ( -1.488 -0.765 0.764) 1.840 14.685 ( -0.581 -10.902 -7.443) 13.213 14.685 ( 0.581 -10.902 7.443) 13.213 15.236 ( 0.573 4.401 -2.450) 5.070 15.236 ( -0.573 4.401 2.450) 5.070 15.455 ( -0.789 -0.586 -2.268) 2.472 15.455 ( 0.789 -0.586 2.268) 2.472 15.516 ( -0.647 4.959 -1.695) 5.281 15.516 ( 0.647 4.959 1.695) 5.281 15.677 ( 1.360 1.124 -3.431) 3.858 15.677 ( -1.360 1.124 3.431) 3.858 15.936 ( -8.375 -1.993 -2.557) 8.980 15.936 ( 8.375 -1.993 2.557) 8.980 16.263 ( -11.725 -0.732 -4.038) 12.423 16.263 ( 11.725 -0.732 4.038) 12.423 16.493 ( -3.672 -1.370 -1.639) 4.248 16.493 ( 3.672 -1.370 1.639) 4.248 17.569 ( 2.368 1.678 -5.583) 6.292 17.569 ( -2.368 1.678 5.583) 6.292 17.874 ( 0.272 -1.910 -0.983) 2.166 17.874 ( -0.272 -1.910 0.983) 2.166 21.197 ( 0.833 6.427 -1.634) 6.684 21.197 ( -0.833 6.427 1.634) 6.684 21.685 ( -1.355 0.291 -1.522) 2.058 21.685 ( 1.355 0.291 1.522) 2.058 27.044 ( -1.271 -3.240 -1.031) 3.630 27.044 ( 1.271 -3.240 1.031) 3.630 27.453 ( -1.424 3.615 -7.037) 8.038 27.453 ( 1.424 3.615 7.037) 8.038 28.877 ( 0.717 -1.723 -0.750) 2.012 28.877 ( -0.717 -1.723 0.750) 2.012 29.106 ( -0.472 3.413 -2.474) 4.241 29.106 ( 0.472 3.413 2.474) 4.241 29.706 ( -1.922 1.195 -5.020) 5.507 29.706 ( 1.922 1.195 5.020) 5.507 30.214 ( -0.259 0.246 -1.454) 1.498 30.214 ( 0.259 0.246 1.454) 1.498 30.335 ( 0.453 3.793 -4.654) 6.021 30.335 ( -0.453 3.793 4.654) 6.021 30.830 ( -2.628 -1.817 -1.171) 3.403 30.830 ( 2.628 -1.817 1.171) 3.403 30.932 ( -9.834 -0.553 1.338) 9.940 30.932 ( 9.834 -0.553 -1.338) 9.940 31.370 ( -4.253 0.158 -0.607) 4.299 31.370 ( 4.253 0.158 0.607) 4.299 31.569 ( -0.066 -0.052 -5.009) 5.010 31.569 ( 0.066 -0.052 5.009) 5.010 32.185 ( -0.992 -16.666 -5.064) 17.447 32.185 ( 0.992 -16.666 5.064) 17.447 32.996 ( 0.712 5.152 -4.647) 6.975 32.996 ( -0.712 5.152 4.647) 6.975 33.373 ( 3.135 1.866 -8.795) 9.522 33.373 ( -3.135 1.866 8.795) 9.522 ======================= Grid point 161 (72/88) ======================= q-point: ( 0.10 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 2.577 2.144 -13.034) 13.458 0.970 ( 9.138 6.920 -2.515) 11.735 1.097 ( 6.171 -0.173 -2.690) 6.734 1.354 ( 5.297 4.248 8.757) 11.080 1.531 ( 2.250 2.630 -2.989) 4.573 1.555 ( 0.833 0.828 2.604) 2.857 1.649 ( 2.605 7.517 0.786) 7.994 1.720 ( 9.189 13.117 -3.933) 16.491 1.933 ( 2.126 -3.162 0.541) 3.848 1.971 ( 4.053 -0.922 0.767) 4.227 2.184 ( -0.176 2.445 -0.338) 2.474 2.267 ( 4.084 -2.540 -1.322) 4.987 2.394 ( -3.896 -5.155 2.232) 6.836 2.471 ( 1.437 1.424 -1.845) 2.738 2.604 ( 2.472 2.962 -5.176) 6.455 2.722 ( 9.656 -0.776 -2.509) 10.006 2.867 ( -2.019 -3.672 1.358) 4.405 3.017 ( 0.477 5.377 7.036) 8.868 3.131 ( 4.172 0.706 -0.959) 4.339 3.219 ( 2.824 -9.539 -4.729) 11.015 3.306 ( -2.802 -3.485 -7.773) 8.968 3.425 ( -1.765 -7.191 2.089) 7.694 3.484 ( 0.323 -1.580 0.438) 1.671 3.566 ( -0.590 -2.555 8.499) 8.895 3.622 ( -0.578 -2.655 2.433) 3.648 3.723 ( 1.692 5.828 -1.318) 6.210 3.809 ( 6.441 2.666 -3.435) 7.772 3.976 ( 7.427 1.143 6.422) 9.885 4.110 ( -0.413 -1.162 3.248) 3.474 4.149 ( -5.597 2.405 -2.146) 6.459 4.273 ( 6.685 -2.395 -4.179) 8.239 4.419 ( 3.219 -0.564 -1.745) 3.704 4.488 ( 5.977 2.212 0.920) 6.439 4.543 ( 6.145 0.747 -0.171) 6.192 4.730 ( -1.635 0.365 -1.934) 2.559 4.869 ( 2.296 2.115 -3.495) 4.687 4.993 ( -1.381 2.268 6.487) 7.010 5.033 ( 5.600 0.057 -3.238) 6.469 5.441 ( -3.180 5.673 -0.111) 6.505 5.487 ( -2.770 5.326 0.233) 6.008 5.582 ( 2.937 -0.552 3.406) 4.532 5.601 ( 2.881 0.078 -2.643) 3.910 5.984 ( -5.587 -1.002 5.964) 8.233 6.080 ( 1.567 0.491 -3.015) 3.433 6.159 ( -8.272 -2.914 -3.581) 9.473 6.432 ( -2.174 -3.546 -1.829) 4.544 6.587 ( 0.910 -2.733 -1.134) 3.096 6.593 ( 0.729 1.504 0.658) 1.796 7.106 ( -4.756 2.783 -0.489) 5.532 7.181 ( -2.764 -0.770 2.847) 4.042 7.380 ( -9.297 1.191 -1.616) 9.511 7.558 ( -4.962 4.001 1.029) 6.457 7.868 ( -6.563 3.956 -0.803) 7.704 7.953 ( -0.768 -0.636 -1.652) 1.930 8.034 ( 0.084 3.996 3.099) 5.057 8.086 ( -3.055 -4.538 2.746) 6.121 8.246 ( 1.809 2.291 -1.613) 3.335 8.351 ( 3.692 0.756 0.795) 3.851 8.733 ( -0.249 -8.643 2.548) 9.014 8.794 ( 3.298 -7.725 -0.932) 8.451 9.451 ( -2.039 8.165 3.100) 8.969 9.487 ( 0.554 11.219 0.315) 11.237 9.790 ( -2.980 -1.242 -0.774) 3.320 9.947 ( 5.626 2.115 -3.543) 6.977 10.126 ( -1.818 -1.609 -7.441) 7.827 10.214 ( 0.014 -1.561 1.438) 2.122 10.386 ( -3.525 3.756 0.285) 5.159 10.440 ( -1.310 -0.083 -3.263) 3.517 10.538 ( -3.100 1.201 4.641) 5.709 10.768 ( 8.382 -1.900 4.061) 9.505 11.031 ( 0.116 -4.704 -0.085) 4.706 11.105 ( 3.178 -5.403 0.328) 6.277 12.047 ( 0.971 3.158 2.516) 4.153 12.106 ( 5.295 4.479 -2.030) 7.226 12.455 ( -0.937 -2.488 -1.637) 3.122 12.506 ( -0.125 -1.957 0.351) 1.992 13.910 ( -2.378 -1.359 -1.984) 3.382 13.946 ( -3.024 0.534 0.728) 3.155 14.002 ( -1.144 -2.249 1.918) 3.169 14.034 ( 1.112 -1.274 -0.362) 1.729 14.602 ( -2.001 -9.031 -5.714) 10.872 14.706 ( -4.190 -8.444 6.373) 11.379 15.155 ( -5.074 2.396 0.534) 5.636 15.251 ( -2.170 8.153 -0.021) 8.436 15.400 ( -1.437 -1.076 -1.286) 2.209 15.458 ( -0.500 1.595 -0.148) 1.678 15.548 ( 2.139 1.594 -1.116) 2.891 15.560 ( 1.461 4.383 2.271) 5.148 15.647 ( -2.013 1.042 -0.873) 2.429 15.679 ( -2.551 0.357 3.771) 4.567 15.784 ( -3.665 0.979 1.176) 3.972 15.850 ( -10.207 2.751 -3.329) 11.082 16.285 ( 5.566 -4.420 3.523) 7.933 16.345 ( -1.807 0.420 0.843) 2.038 16.571 ( 10.118 -4.717 -2.979) 11.554 16.598 ( 6.502 -2.338 1.075) 6.992 17.543 ( -0.920 0.871 -1.949) 2.325 17.572 ( -1.419 1.721 2.127) 3.082 17.852 ( -2.494 -2.059 0.844) 3.342 17.864 ( -1.910 -1.803 0.670) 2.711 21.168 ( -1.541 6.648 -0.191) 6.827 21.210 ( 0.774 5.978 -1.081) 6.124 21.620 ( -3.893 0.243 -1.349) 4.127 21.688 ( -1.777 -0.294 1.141) 2.133 26.990 ( -2.716 -0.974 -2.386) 3.744 27.021 ( -2.981 -4.936 -5.280) 7.818 27.320 ( -6.647 4.179 -0.332) 7.859 27.409 ( -9.735 6.690 4.626) 12.686 28.869 ( -0.377 -1.871 0.047) 1.910 28.884 ( 0.801 -1.328 -1.244) 1.988 29.070 ( -2.214 2.891 0.055) 3.642 29.112 ( -2.145 3.191 2.552) 4.615 29.619 ( -2.509 1.851 -2.880) 4.244 29.690 ( -4.487 1.493 -0.559) 4.762 30.114 ( -7.513 0.818 -2.067) 7.835 30.204 ( -2.143 -0.509 3.438) 4.083 30.312 ( 2.174 3.656 -4.121) 5.922 30.347 ( -0.621 4.764 3.639) 6.027 30.789 ( -0.726 0.095 1.899) 2.035 30.800 ( -2.823 -0.088 -0.289) 2.839 30.901 ( 2.759 -0.984 -1.520) 3.300 31.114 ( 7.834 -1.404 -3.133) 8.554 31.415 ( 5.498 -4.033 4.128) 7.971 31.531 ( 1.761 0.491 -5.004) 5.328 31.555 ( 7.204 -2.151 0.706) 7.551 31.662 ( 6.391 2.613 3.245) 7.629 32.215 ( 7.341 -17.507 -2.516) 19.150 32.298 ( 7.938 -10.512 0.383) 13.178 32.973 ( 0.281 4.133 -4.217) 5.911 33.028 ( -0.650 4.294 4.240) 6.069 33.370 ( 2.922 -0.455 -4.541) 5.419 33.494 ( 8.220 -3.144 8.914) 12.526 ======================= Grid point 162 (73/88) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 8.063 7.214 -4.220) 11.613 1.143 ( 10.686 1.453 -5.781) 12.236 1.193 ( 5.667 -0.606 0.464) 5.718 1.438 ( -2.122 -0.850 5.199) 5.679 1.526 ( -0.141 2.291 -0.009) 2.295 1.568 ( -0.450 4.981 2.812) 5.737 1.781 ( 7.167 -0.172 -0.289) 7.175 1.883 ( 5.487 2.787 -1.570) 6.351 2.024 ( 6.733 -0.527 -0.464) 6.769 2.072 ( 6.248 0.087 -1.080) 6.342 2.174 ( -1.026 4.632 -3.335) 5.799 2.303 ( -4.196 -0.588 -4.376) 6.091 2.327 ( 2.917 -5.875 0.619) 6.589 2.468 ( 5.674 10.938 -6.134) 13.764 2.619 ( 2.151 1.400 2.024) 3.269 2.859 ( 4.491 -8.073 2.601) 9.597 3.004 ( 9.845 -3.390 0.585) 10.428 3.081 ( 0.298 1.450 4.787) 5.011 3.155 ( 2.180 -0.483 -6.916) 7.267 3.246 ( 3.471 1.257 1.236) 3.893 3.321 ( 6.856 -9.375 0.351) 11.619 3.412 ( 2.400 -5.993 1.485) 6.624 3.558 ( 6.055 2.066 0.765) 6.444 3.601 ( -0.485 2.995 2.938) 4.223 3.654 ( 1.537 -3.544 2.781) 4.760 3.737 ( 1.410 4.794 0.657) 5.040 3.925 ( 4.742 1.559 0.722) 5.043 4.049 ( -1.306 2.743 -1.933) 3.601 4.127 ( 2.058 -3.747 2.782) 5.100 4.222 ( 7.277 -1.082 7.482) 10.493 4.336 ( 3.115 0.806 -1.954) 3.765 4.473 ( 5.846 0.982 -5.643) 8.185 4.518 ( 0.446 3.703 -3.562) 5.157 4.648 ( 0.869 1.581 -2.273) 2.902 4.713 ( 4.263 3.604 -1.978) 5.922 4.932 ( 5.425 -2.187 -3.168) 6.652 5.032 ( 0.666 -0.444 5.234) 5.295 5.089 ( 2.048 3.107 0.948) 3.840 5.355 ( -5.023 0.650 -1.759) 5.361 5.488 ( 1.194 -0.288 1.328) 1.809 5.597 ( 1.510 1.989 -3.614) 4.393 5.684 ( 2.771 -3.921 4.256) 6.417 5.927 ( -5.498 -2.964 5.954) 8.630 6.062 ( 4.642 -2.613 -12.975) 14.026 6.090 ( 0.300 6.999 2.974) 7.611 6.339 ( -7.864 -4.777 4.986) 10.465 6.554 ( -3.344 2.083 -0.667) 3.996 6.584 ( -0.421 -0.205 -4.024) 4.051 6.996 ( -6.022 2.619 0.665) 6.600 7.099 ( -8.710 2.228 4.360) 9.992 7.239 ( -4.006 4.954 -2.669) 6.908 7.477 ( -4.334 6.428 2.696) 8.208 7.719 ( -6.379 7.035 -5.136) 10.796 7.893 ( -4.522 -8.781 0.349) 9.883 8.008 ( -4.430 2.110 1.406) 5.104 8.069 ( -1.433 -3.319 2.095) 4.179 8.288 ( 1.576 0.687 2.352) 2.913 8.392 ( 1.661 0.731 -1.096) 2.120 8.759 ( 0.280 -7.948 3.099) 8.535 8.828 ( 0.519 -5.677 -1.315) 5.850 9.466 ( 0.917 5.900 3.713) 7.031 9.516 ( 1.551 9.765 2.412) 10.178 9.725 ( -2.265 -1.639 -3.272) 4.304 10.002 ( 0.211 2.960 -4.937) 5.760 10.054 ( 1.401 -0.437 -0.381) 1.516 10.225 ( 0.525 -1.381 0.331) 1.514 10.336 ( -0.880 3.250 -2.765) 4.357 10.383 ( -1.872 -0.069 -2.765) 3.340 10.508 ( -4.185 0.928 5.253) 6.780 10.909 ( 3.659 -3.164 1.327) 5.016 11.055 ( 2.640 -4.663 -0.993) 5.450 11.162 ( 2.577 -6.239 0.007) 6.750 12.103 ( 2.575 1.303 2.035) 3.531 12.200 ( 5.857 4.075 -1.492) 7.289 12.436 ( -0.807 -3.074 0.168) 3.182 12.496 ( -0.417 -0.680 -0.257) 0.838 13.849 ( -2.556 -1.062 -1.549) 3.172 13.891 ( -3.029 -0.036 0.742) 3.119 13.992 ( -0.997 -3.045 1.467) 3.524 14.056 ( 1.177 -1.628 0.018) 2.009 14.540 ( -0.390 -5.409 -3.832) 6.640 14.656 ( -3.855 -4.226 2.832) 6.383 15.059 ( -5.587 2.818 0.511) 6.278 15.158 ( -6.270 9.457 -1.517) 11.447 15.376 ( -0.437 -2.961 -0.719) 3.079 15.468 ( 0.868 1.136 0.622) 1.559 15.523 ( -2.223 2.217 -1.898) 3.669 15.569 ( -0.200 0.339 -1.597) 1.645 15.619 ( -1.338 1.958 1.956) 3.074 15.683 ( -0.144 0.542 5.737) 5.765 15.739 ( -0.566 2.153 -1.450) 2.657 15.795 ( 1.590 1.914 0.525) 2.544 16.246 ( -2.035 3.982 -0.399) 4.489 16.424 ( 1.823 -4.906 0.204) 5.238 16.677 ( 4.271 -4.744 -0.707) 6.422 16.726 ( 4.011 -4.183 0.606) 5.827 17.500 ( -0.673 0.786 -3.653) 3.796 17.573 ( -0.757 0.548 3.417) 3.542 17.790 ( -4.428 -2.038 0.243) 4.881 17.808 ( -4.199 -1.573 0.132) 4.486 21.152 ( 0.455 5.766 -0.668) 5.822 21.218 ( 1.012 5.216 -0.869) 5.384 21.536 ( -3.819 -0.569 -0.867) 3.957 21.650 ( -2.998 -0.812 1.011) 3.267 26.880 ( -4.072 0.326 -5.256) 6.656 26.930 ( -2.428 -0.972 -2.079) 3.341 27.232 ( -5.114 3.965 2.717) 7.018 27.256 ( -7.140 4.536 0.556) 8.477 28.865 ( 0.113 -1.791 -0.464) 1.853 28.890 ( 0.886 -0.958 -1.049) 1.674 29.023 ( -2.710 3.147 0.301) 4.164 29.084 ( -2.063 1.851 1.205) 3.022 29.573 ( -0.998 1.521 -0.959) 2.056 29.630 ( -0.366 1.013 -2.042) 2.309 29.950 ( -7.608 1.043 -1.689) 7.863 30.152 ( -5.869 -1.818 2.969) 6.824 30.352 ( 1.395 3.221 2.877) 4.538 30.413 ( 7.121 4.624 -2.463) 8.840 30.763 ( -0.505 2.129 -1.241) 2.515 30.828 ( 1.202 1.141 4.852) 5.127 30.910 ( 0.260 -1.907 -2.576) 3.215 31.198 ( 3.212 -0.012 -2.274) 3.936 31.484 ( -1.432 -0.189 -4.815) 5.027 31.495 ( -1.266 -5.271 6.800) 8.696 31.677 ( 5.210 -1.529 -2.071) 5.811 31.805 ( 5.612 3.482 1.583) 6.791 32.367 ( 8.793 -10.876 -0.036) 13.986 32.466 ( 8.841 -3.025 0.450) 9.356 32.927 ( -1.701 2.912 -4.279) 5.449 33.032 ( -1.666 2.667 3.572) 4.759 33.415 ( 8.140 -4.058 -10.166) 13.641 33.749 ( 5.932 -11.235 15.291) 19.880 ======================= Grid point 163 (74/88) ======================= q-point: ( 0.30 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 10.574 4.242 6.031) 12.891 1.256 ( 4.698 -1.599 -2.712) 5.656 1.312 ( 6.466 0.159 -1.592) 6.661 1.410 ( -1.645 -0.777 1.401) 2.296 1.540 ( 1.859 2.879 0.239) 3.435 1.601 ( 1.988 3.854 1.309) 4.530 1.867 ( 2.228 0.223 -0.904) 2.414 1.917 ( 0.459 0.064 -0.537) 0.709 2.026 ( -2.292 -0.886 -3.121) 3.972 2.128 ( -1.036 -2.330 -0.934) 2.715 2.170 ( 3.873 6.339 1.718) 7.625 2.204 ( -1.925 -2.336 -2.326) 3.817 2.381 ( 0.661 -1.984 -0.124) 2.095 2.609 ( 7.379 11.490 -0.543) 13.666 2.681 ( 0.547 -0.376 2.661) 2.742 2.920 ( 2.534 -8.926 2.137) 9.522 3.083 ( 3.762 -3.943 -4.124) 6.835 3.134 ( 0.468 3.638 2.092) 4.223 3.253 ( 6.064 -1.863 1.625) 6.548 3.349 ( 5.742 -5.542 3.150) 8.579 3.433 ( 3.449 -5.563 5.654) 8.650 3.519 ( 3.515 5.204 -0.556) 6.304 3.629 ( 5.346 0.505 -3.530) 6.427 3.705 ( 6.771 -1.324 2.672) 7.399 3.731 ( 7.009 0.005 -0.076) 7.010 3.834 ( 8.663 2.930 0.812) 9.181 3.979 ( 0.589 2.515 3.065) 4.009 4.038 ( -0.242 5.346 -0.172) 5.354 4.162 ( 0.991 -2.641 -0.859) 2.949 4.331 ( 2.704 0.051 2.173) 3.469 4.426 ( -0.245 2.553 4.955) 5.579 4.502 ( 3.535 -2.004 -3.256) 5.207 4.547 ( 5.447 1.451 -6.947) 8.946 4.637 ( 2.621 7.827 -2.381) 8.591 4.770 ( 2.958 1.174 -1.469) 3.505 4.977 ( 1.823 -2.770 -3.794) 5.038 5.079 ( -0.153 -1.950 3.097) 3.663 5.134 ( 1.392 0.492 0.937) 1.748 5.261 ( -2.078 -2.484 -2.100) 3.860 5.495 ( -2.218 -0.282 -0.247) 2.249 5.620 ( 2.073 -0.078 1.209) 2.401 5.760 ( 5.188 -3.374 -2.429) 6.648 5.870 ( -4.423 -1.682 3.417) 5.836 6.088 ( 6.485 1.034 -8.520) 10.757 6.152 ( 3.436 4.565 1.820) 5.996 6.236 ( -7.862 -3.841 7.252) 11.365 6.466 ( -5.869 2.646 0.744) 6.481 6.533 ( -1.492 -1.801 -1.591) 2.828 6.906 ( -5.119 3.793 0.829) 6.425 6.976 ( -5.998 3.300 3.898) 7.877 7.160 ( -3.193 5.033 -0.725) 6.004 7.431 ( -1.601 3.092 -2.171) 4.104 7.567 ( -5.027 9.612 -4.536) 11.758 7.805 ( -5.552 -8.228 1.971) 10.119 7.934 ( -4.004 -0.200 0.576) 4.050 8.020 ( -4.751 -2.748 0.056) 5.489 8.338 ( 2.208 1.125 2.067) 3.227 8.422 ( 2.802 1.334 -1.430) 3.417 8.775 ( -1.040 -6.677 0.914) 6.819 8.790 ( -2.959 -3.063 -0.264) 4.267 9.529 ( 2.715 2.776 2.027) 4.380 9.576 ( 2.461 6.718 2.459) 7.565 9.668 ( -1.202 -0.557 -1.752) 2.197 9.905 ( -4.198 2.663 -4.556) 6.744 10.147 ( 2.830 0.278 6.695) 7.274 10.242 ( 0.687 -0.978 1.235) 1.719 10.319 ( 3.036 2.261 -5.400) 6.595 10.338 ( -0.949 0.544 -1.297) 1.696 10.467 ( -3.775 0.003 4.023) 5.517 10.918 ( -1.683 -3.006 -3.700) 5.056 11.101 ( 3.137 -5.450 -1.326) 6.427 11.198 ( 1.416 -6.797 -0.667) 6.974 12.160 ( 2.051 0.397 1.310) 2.466 12.297 ( 5.680 3.386 -1.396) 6.759 12.404 ( -2.407 -2.456 -0.737) 3.517 12.508 ( 0.563 -0.414 2.153) 2.263 13.799 ( -1.420 -0.837 -1.198) 2.038 13.847 ( -2.330 -0.519 0.775) 2.510 13.994 ( -0.320 -3.314 2.418) 4.114 14.072 ( 0.875 -2.268 -1.159) 2.693 14.533 ( 1.846 -2.132 -1.810) 3.351 14.624 ( -0.948 -1.337 0.510) 1.716 14.956 ( -5.635 3.017 0.515) 6.413 15.027 ( -5.843 6.699 -1.429) 9.003 15.373 ( 0.084 -3.041 0.363) 3.064 15.462 ( -1.624 1.398 -3.019) 3.702 15.489 ( 0.362 1.263 1.250) 1.814 15.581 ( 1.628 -0.228 0.261) 1.664 15.621 ( 0.538 1.704 1.081) 2.088 15.718 ( -0.856 -0.427 2.715) 2.878 15.733 ( 1.231 2.166 -2.001) 3.196 15.819 ( -0.242 1.223 1.557) 1.995 16.260 ( 2.993 4.831 1.443) 5.864 16.425 ( 0.602 -2.410 -3.012) 3.905 16.710 ( 0.028 -5.119 -0.917) 5.201 16.758 ( -0.752 -3.077 0.615) 3.226 17.483 ( 0.545 0.132 -0.334) 0.652 17.588 ( 0.069 -0.539 1.804) 1.884 17.702 ( -4.369 -1.709 -0.638) 4.735 17.717 ( -4.939 -1.275 -0.843) 5.170 21.173 ( 2.074 3.957 -0.447) 4.490 21.236 ( 1.355 4.392 -0.299) 4.606 21.471 ( -2.548 -1.184 -0.299) 2.825 21.592 ( -3.887 -0.938 0.828) 4.083 26.824 ( -0.252 1.310 0.769) 1.540 26.885 ( -1.564 -0.141 0.479) 1.642 27.125 ( -5.637 3.444 -1.020) 6.684 27.167 ( -3.813 1.261 -1.375) 4.245 28.868 ( 0.671 -1.453 -0.571) 1.699 28.901 ( 0.832 -0.789 -0.439) 1.228 28.982 ( -1.651 2.962 0.015) 3.391 29.051 ( -2.134 1.085 0.421) 2.431 29.569 ( 0.579 0.468 0.969) 1.222 29.623 ( 0.709 0.031 -1.717) 1.858 29.822 ( -5.070 0.961 -0.042) 5.161 30.046 ( -7.013 -2.204 1.594) 7.522 30.410 ( 2.072 3.260 3.919) 5.503 30.531 ( 7.812 2.690 -5.085) 9.701 30.756 ( 0.328 2.075 -0.324) 2.126 30.828 ( -2.547 1.911 -2.642) 4.138 30.957 ( 3.990 0.527 5.483) 6.802 31.191 ( -1.364 1.254 -2.997) 3.523 31.389 ( -3.455 1.020 -5.351) 6.450 31.526 ( -2.692 -6.295 9.795) 11.950 31.729 ( 2.064 0.251 -1.226) 2.414 31.870 ( 0.697 4.405 -0.166) 4.463 32.528 ( 8.948 -2.049 -3.389) 9.785 32.615 ( 5.283 1.227 2.687) 6.053 32.867 ( -1.278 -0.339 -1.090) 1.713 33.034 ( -0.271 -0.993 1.731) 2.014 33.521 ( 11.817 -6.283 -11.420) 17.594 33.899 ( -0.943 -12.081 11.595) 16.772 ======================= Grid point 164 (75/88) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 3.576 1.551 3.574) 5.288 1.292 ( 2.606 1.218 -2.693) 3.941 1.382 ( 0.444 -0.715 -0.350) 0.911 1.399 ( -0.972 0.276 1.216) 1.581 1.611 ( 5.081 2.006 -1.041) 5.561 1.655 ( 2.615 3.479 0.711) 4.410 1.869 ( 0.666 0.943 -0.673) 1.336 1.923 ( -0.492 1.423 0.834) 1.721 1.997 ( -2.279 -3.535 1.948) 4.635 2.066 ( -3.331 -5.131 0.371) 6.128 2.206 ( 5.035 -1.415 -3.830) 6.483 2.292 ( 6.579 8.684 2.712) 11.227 2.378 ( -0.533 -1.182 0.817) 1.533 2.625 ( -6.110 1.918 0.744) 6.447 2.708 ( 3.032 7.539 3.182) 8.726 3.019 ( 0.640 -1.835 1.377) 2.382 3.078 ( 0.881 0.860 -4.558) 4.721 3.166 ( 4.306 -6.938 2.324) 8.490 3.317 ( 0.171 -4.543 0.750) 4.608 3.391 ( -3.525 -4.636 1.221) 5.951 3.550 ( 3.037 0.392 3.864) 4.930 3.569 ( 2.069 1.104 0.632) 2.429 3.736 ( 8.177 0.049 -1.973) 8.412 3.806 ( 4.360 -1.609 -0.471) 4.672 3.917 ( 7.462 0.931 3.425) 8.263 3.953 ( -0.780 0.741 4.202) 4.338 4.007 ( 0.974 4.712 -4.394) 6.516 4.056 ( 2.727 8.237 -0.264) 8.681 4.184 ( 4.188 2.312 0.919) 4.871 4.373 ( -0.501 4.351 -5.511) 7.040 4.419 ( 2.783 3.493 1.129) 4.606 4.568 ( 1.188 0.500 1.363) 1.876 4.583 ( 4.023 -3.511 1.512) 5.550 4.726 ( 5.885 1.244 0.207) 6.019 4.806 ( 1.072 0.506 -1.538) 1.942 4.926 ( -4.004 -2.402 -2.231) 5.175 5.088 ( 0.504 -5.960 0.456) 5.999 5.143 ( -0.273 -2.672 -1.089) 2.899 5.241 ( 0.355 -1.426 -1.063) 1.814 5.395 ( -5.698 0.114 -3.385) 6.629 5.689 ( 3.010 0.581 2.801) 4.153 5.812 ( -1.842 -0.992 -0.447) 2.139 5.854 ( 6.555 0.418 -4.678) 8.064 6.081 ( -8.002 0.228 5.623) 9.783 6.206 ( 1.455 -0.362 2.642) 3.038 6.236 ( 5.574 2.902 -4.260) 7.592 6.385 ( -1.346 1.462 -0.110) 1.991 6.506 ( -2.462 -2.195 1.959) 3.836 6.838 ( -2.671 3.708 3.981) 6.061 6.923 ( -2.767 0.597 0.612) 2.896 7.120 ( -1.214 5.644 2.719) 6.381 7.328 ( -3.886 3.281 -10.590) 11.748 7.520 ( 1.755 5.879 0.362) 6.146 7.716 ( -6.309 -4.089 2.808) 8.025 7.867 ( -2.869 -2.400 0.188) 3.745 7.924 ( -3.960 -0.090 -1.272) 4.160 8.401 ( 2.827 3.095 1.975) 4.634 8.468 ( 2.530 1.093 -1.349) 3.069 8.716 ( -1.189 -3.314 -3.936) 5.282 8.756 ( -3.727 -4.759 3.407) 6.939 9.576 ( 3.030 -1.534 -3.638) 4.976 9.617 ( -0.860 1.099 3.290) 3.574 9.678 ( 1.374 4.859 3.035) 5.891 9.798 ( -3.362 3.357 -3.547) 5.929 10.215 ( 0.682 0.095 2.795) 2.879 10.257 ( -1.295 -1.409 2.916) 3.488 10.325 ( 1.892 1.015 -2.588) 3.363 10.385 ( 0.302 2.918 3.973) 4.939 10.457 ( 3.901 -1.953 1.201) 4.525 10.803 ( -5.436 -2.324 -7.339) 9.424 11.149 ( 2.566 -6.394 -0.601) 6.916 11.204 ( -0.022 -6.979 -0.934) 7.041 12.208 ( 2.179 0.199 1.292) 2.542 12.332 ( -2.824 -0.855 -1.012) 3.119 12.404 ( 5.304 1.941 -1.703) 5.899 12.522 ( -1.524 -0.304 2.517) 2.958 13.780 ( 0.176 -0.714 -0.881) 1.148 13.814 ( -1.870 -0.638 0.731) 2.107 14.014 ( -0.024 -3.198 3.462) 4.713 14.068 ( 0.303 -2.948 -2.835) 4.101 14.571 ( 2.745 0.377 -0.531) 2.821 14.622 ( 0.394 0.704 -0.357) 0.882 14.871 ( -3.105 2.133 0.198) 3.772 14.924 ( -4.463 3.649 -0.210) 5.769 15.374 ( -0.666 -0.352 1.110) 1.342 15.411 ( -1.412 1.138 -2.365) 2.980 15.526 ( 2.643 -0.164 1.452) 3.020 15.617 ( 1.673 -0.032 0.119) 1.678 15.645 ( 0.523 -0.112 0.662) 0.851 15.709 ( -0.751 0.350 -0.636) 1.044 15.732 ( 1.250 1.698 -2.758) 3.471 15.811 ( -2.374 1.288 2.615) 3.760 16.355 ( 4.455 2.825 2.608) 5.885 16.424 ( 1.683 -0.661 -2.639) 3.199 16.681 ( -1.957 -4.224 -0.192) 4.659 16.720 ( -2.889 -2.295 -0.484) 3.721 17.504 ( 0.901 -0.505 1.606) 1.910 17.599 ( -0.125 -1.225 0.246) 1.256 17.617 ( -3.696 -1.062 -1.264) 4.048 17.638 ( -2.263 -1.193 -0.452) 2.598 21.214 ( 2.526 2.546 -0.543) 3.627 21.257 ( 0.525 3.412 0.416) 3.477 21.439 ( -0.311 -1.137 -0.424) 1.253 21.521 ( -4.119 -0.667 0.677) 4.227 26.860 ( 0.965 0.865 4.715) 4.890 26.888 ( 1.007 0.159 2.590) 2.784 27.017 ( -3.865 2.172 -3.507) 5.653 27.076 ( -3.641 0.868 -3.921) 5.421 28.882 ( 1.164 -0.966 -0.444) 1.576 28.911 ( 0.060 -0.721 0.284) 0.777 28.963 ( -0.187 2.324 -0.214) 2.342 29.012 ( -2.090 1.091 -0.162) 2.363 29.603 ( 1.024 -0.323 2.863) 3.058 29.626 ( 1.122 -0.487 -2.059) 2.395 29.764 ( -1.161 0.071 0.802) 1.413 29.920 ( -6.805 -2.187 -0.097) 7.149 30.487 ( 2.753 3.188 4.037) 5.834 30.607 ( 4.221 2.416 -6.503) 8.121 30.756 ( -2.059 1.320 -0.874) 2.597 30.765 ( 0.131 0.191 -0.120) 0.261 31.056 ( 0.554 3.434 4.516) 5.700 31.133 ( -0.669 3.811 -5.646) 6.844 31.329 ( 0.872 -0.324 1.475) 1.744 31.522 ( -4.698 -4.619 5.702) 8.713 31.750 ( 0.905 2.536 0.454) 2.731 31.843 ( -2.147 5.041 -1.846) 5.782 32.629 ( 5.525 3.637 -5.345) 8.504 32.677 ( 0.055 5.343 0.853) 5.411 32.904 ( 2.833 -6.318 5.573) 8.888 33.037 ( -0.043 -4.150 -1.368) 4.370 33.670 ( 12.136 -7.750 -9.333) 17.159 33.906 ( -5.918 -10.710 8.049) 14.646 ======================= Grid point 165 (76/88) ======================= q-point: (-0.50 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.155 1.479 -1.340) 2.002 1.314 ( -0.155 1.479 1.340) 2.002 1.375 ( 1.769 0.575 -2.062) 2.777 1.375 ( -1.769 0.575 2.062) 2.777 1.676 ( -0.028 3.394 -0.330) 3.411 1.676 ( 0.028 3.394 0.330) 3.411 1.896 ( -0.167 0.314 -0.055) 0.359 1.896 ( 0.167 0.314 0.055) 0.359 2.002 ( -1.981 -5.776 -1.506) 6.289 2.002 ( 1.981 -5.776 1.506) 6.289 2.307 ( 4.850 2.892 -5.945) 8.199 2.307 ( -4.850 2.892 5.945) 8.199 2.482 ( -9.085 2.418 1.064) 9.461 2.482 ( 9.085 2.418 -1.064) 9.461 2.849 ( -8.253 5.286 -5.505) 11.241 2.849 ( 8.253 5.286 5.505) 11.241 3.199 ( 1.161 -6.109 -7.958) 10.100 3.199 ( -1.161 -6.109 7.958) 10.100 3.321 ( -1.291 -3.063 -4.525) 5.615 3.321 ( 1.291 -3.063 4.525) 5.615 3.584 ( 1.383 -1.674 -5.004) 5.454 3.584 ( -1.383 -1.674 5.004) 5.454 3.845 ( -2.011 1.639 0.322) 2.614 3.845 ( 2.011 1.639 -0.322) 2.614 3.959 ( 2.441 3.832 -9.187) 10.249 3.959 ( -2.441 3.832 9.187) 10.249 4.038 ( -0.467 2.307 -6.042) 6.485 4.038 ( 0.467 2.307 6.042) 6.485 4.295 ( -2.295 5.584 -6.674) 8.999 4.295 ( 2.295 5.584 6.674) 8.999 4.520 ( -1.023 2.531 -1.533) 3.131 4.520 ( 1.023 2.531 1.533) 3.131 4.723 ( -6.354 -4.765 -1.764) 8.136 4.723 ( 6.354 -4.765 1.764) 8.136 4.840 ( 0.246 0.373 -3.215) 3.246 4.840 ( -0.246 0.373 3.215) 3.246 5.114 ( -1.303 -5.986 -1.905) 6.415 5.114 ( 1.303 -5.986 1.905) 6.415 5.276 ( -2.880 0.377 -2.146) 3.611 5.276 ( 2.880 0.377 2.146) 3.611 5.761 ( -2.275 0.447 -1.527) 2.776 5.761 ( 2.275 0.447 1.527) 2.776 5.958 ( 7.889 1.531 -7.708) 11.135 5.958 ( -7.889 1.531 7.708) 11.135 6.248 ( 0.566 1.393 -5.241) 5.453 6.248 ( -0.566 1.393 5.241) 5.453 6.441 ( 5.544 -1.040 -2.048) 6.001 6.441 ( -5.544 -1.040 2.048) 6.001 6.868 ( -0.337 0.622 -4.124) 4.185 6.868 ( 0.337 0.622 4.124) 4.185 7.179 ( -2.994 5.886 -8.188) 10.519 7.179 ( 2.994 5.886 8.188) 10.519 7.602 ( -6.195 -0.352 1.231) 6.326 7.602 ( 6.195 -0.352 -1.231) 6.326 7.861 ( 0.100 -0.364 -2.868) 2.893 7.861 ( -0.100 -0.364 2.868) 2.893 8.464 ( -1.527 2.747 -1.769) 3.606 8.464 ( 1.527 2.747 1.769) 3.606 8.709 ( 3.341 -4.234 -3.565) 6.466 8.709 ( -3.341 -4.234 3.565) 6.466 9.604 ( 3.852 -1.835 -6.918) 8.128 9.604 ( -3.852 -1.835 6.918) 8.128 9.730 ( -1.079 5.030 -3.647) 6.306 9.730 ( 1.079 5.030 3.647) 6.306 10.241 ( 1.861 -1.026 -1.665) 2.700 10.241 ( -1.861 -1.026 1.665) 2.700 10.360 ( 3.569 1.659 -5.761) 6.978 10.360 ( -3.569 1.659 5.761) 6.978 10.622 ( -7.484 -1.645 -6.771) 10.226 10.622 ( 7.484 -1.645 6.771) 10.226 11.185 ( 0.340 -6.885 -2.320) 7.274 11.185 ( -0.340 -6.885 2.320) 7.274 12.266 ( -2.666 -0.234 -1.587) 3.111 12.266 ( 2.666 -0.234 1.587) 3.111 12.484 ( 2.407 0.776 -1.555) 2.969 12.484 ( -2.407 0.776 1.555) 2.969 13.789 ( 0.865 -0.656 -1.598) 1.932 13.789 ( -0.865 -0.656 1.598) 1.932 14.043 ( 0.080 -3.142 -3.895) 5.005 14.043 ( -0.080 -3.142 3.895) 5.005 14.613 ( -0.822 1.521 -0.467) 1.791 14.613 ( 0.822 1.521 0.467) 1.791 14.860 ( -1.250 1.870 -0.306) 2.270 14.860 ( 1.250 1.870 0.306) 2.270 15.378 ( -0.225 1.103 -1.682) 2.024 15.378 ( 0.225 1.103 1.682) 2.024 15.597 ( -2.679 -0.725 -1.847) 3.334 15.597 ( 2.679 -0.725 1.847) 3.334 15.672 ( -1.337 -0.180 -2.052) 2.456 15.672 ( 1.337 -0.180 2.052) 2.456 15.770 ( 3.681 1.800 -2.141) 4.623 15.770 ( -3.681 1.800 2.141) 4.623 16.427 ( -0.548 0.626 -2.052) 2.214 16.427 ( 0.548 0.626 2.052) 2.214 16.668 ( -0.434 -2.743 -1.626) 3.218 16.668 ( 0.434 -2.743 1.626) 3.218 17.543 ( -2.051 -0.711 -1.863) 2.861 17.543 ( 2.051 -0.711 1.863) 2.861 17.611 ( -0.708 -1.312 -0.065) 1.492 17.611 ( 0.708 -1.312 0.065) 1.492 21.251 ( 0.773 2.341 -1.370) 2.820 21.251 ( -0.773 2.341 1.370) 2.820 21.459 ( -1.768 -0.596 0.287) 1.888 21.459 ( 1.768 -0.596 -0.287) 1.888 26.915 ( -1.363 0.503 -3.514) 3.802 26.915 ( 1.363 0.503 3.514) 3.802 26.979 ( -2.676 1.250 -3.653) 4.697 26.979 ( 2.676 1.250 3.653) 4.697 28.902 ( 0.308 -0.597 -0.227) 0.709 28.902 ( -0.308 -0.597 0.227) 0.709 28.976 ( -1.159 1.473 -0.278) 1.895 28.976 ( 1.159 1.473 0.278) 1.895 29.628 ( 0.939 -0.463 -3.109) 3.280 29.628 ( -0.939 -0.463 3.109) 3.280 29.804 ( -4.414 -1.450 -1.135) 4.783 29.804 ( 4.414 -1.450 1.135) 4.783 30.571 ( -2.060 3.225 -5.040) 6.329 30.571 ( 2.060 3.225 5.040) 6.329 30.755 ( 2.486 -0.337 -5.303) 5.867 30.755 ( -2.486 -0.337 5.303) 5.867 31.080 ( 0.308 4.602 -5.603) 7.257 31.080 ( -0.308 4.602 5.603) 7.257 31.431 ( -5.729 -1.999 -1.113) 6.169 31.431 ( 5.729 -1.999 1.113) 6.169 31.785 ( -0.551 4.271 -3.246) 5.392 31.785 ( 0.551 4.271 3.246) 5.392 32.667 ( 2.590 5.132 -4.319) 7.191 32.667 ( -2.590 5.132 4.319) 7.191 32.997 ( -1.273 -6.030 -5.345) 8.158 32.997 ( 1.273 -6.030 5.345) 8.158 33.815 ( 8.123 -9.218 -9.144) 15.315 33.815 ( -8.123 -9.218 9.144) 15.315 ======================= Grid point 171 (77/88) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -0.622 5.972 -7.443) 9.563 0.987 ( 0.622 5.972 7.443) 9.563 1.318 ( -2.967 10.894 -11.063) 15.807 1.318 ( 2.967 10.894 11.063) 15.807 1.536 ( 0.654 -0.361 -3.112) 3.200 1.536 ( -0.654 -0.361 3.112) 3.200 1.758 ( 0.999 -5.802 -4.005) 7.121 1.758 ( -0.999 -5.802 4.005) 7.121 1.944 ( -0.050 6.428 -3.574) 7.355 1.944 ( 0.050 6.428 3.574) 7.355 2.170 ( 1.382 -4.946 -5.869) 7.799 2.170 ( -1.382 -4.946 5.869) 7.799 2.428 ( 4.048 4.925 -2.745) 6.941 2.428 ( -4.048 4.925 2.745) 6.941 2.642 ( -0.466 3.697 -4.167) 5.590 2.642 ( 0.466 3.697 4.167) 5.590 2.937 ( -1.585 -5.555 -4.680) 7.434 2.937 ( 1.585 -5.555 4.680) 7.434 3.073 ( -2.498 0.292 -5.689) 6.221 3.073 ( 2.498 0.292 5.689) 6.221 3.288 ( 0.411 -10.047 -14.590) 17.719 3.288 ( -0.411 -10.047 14.590) 17.719 3.462 ( -2.020 0.493 -3.152) 3.777 3.462 ( 2.020 0.493 3.152) 3.777 3.714 ( -2.672 6.443 -3.603) 7.851 3.714 ( 2.672 6.443 3.603) 7.851 3.917 ( 0.850 2.609 -3.039) 4.095 3.917 ( -0.850 2.609 3.039) 4.095 4.133 ( -5.904 -0.585 -3.050) 6.671 4.133 ( 5.904 -0.585 3.050) 6.671 4.238 ( -6.557 -4.582 -3.724) 8.824 4.238 ( 6.557 -4.582 3.724) 8.824 4.558 ( 0.497 8.987 -2.648) 9.383 4.558 ( -0.497 8.987 2.648) 9.383 4.860 ( -5.619 0.917 -3.592) 6.732 4.860 ( 5.619 0.917 3.592) 6.732 5.005 ( 0.212 1.420 -6.310) 6.472 5.005 ( -0.212 1.420 6.310) 6.472 5.384 ( 2.559 -7.219 -5.953) 9.701 5.384 ( -2.559 -7.219 5.953) 9.701 5.768 ( 0.624 6.236 -3.056) 6.972 5.768 ( -0.624 6.236 3.056) 6.972 6.021 ( 5.152 0.830 -9.785) 11.089 6.021 ( -5.152 0.830 9.785) 11.089 6.384 ( 5.127 2.660 -7.041) 9.107 6.384 ( -5.127 2.660 7.041) 9.107 6.527 ( 7.303 -1.725 -10.672) 13.046 6.527 ( -7.303 -1.725 10.672) 13.046 7.224 ( -1.235 4.804 -2.926) 5.759 7.224 ( 1.235 4.804 2.926) 5.759 7.506 ( -3.737 -5.053 -2.410) 6.731 7.506 ( 3.737 -5.053 2.410) 6.731 7.909 ( -2.593 -3.461 -4.479) 6.226 7.909 ( 2.593 -3.461 4.479) 6.226 8.018 ( -2.093 -2.459 -3.325) 4.635 8.018 ( 2.093 -2.459 3.325) 4.635 8.362 ( 0.272 1.903 -2.867) 3.452 8.362 ( -0.272 1.903 2.867) 3.452 8.573 ( 2.041 -6.084 -5.976) 8.769 8.573 ( -2.041 -6.084 5.976) 8.769 9.688 ( 4.522 7.870 -5.600) 10.665 9.688 ( -4.522 7.870 5.600) 10.665 9.896 ( 4.573 4.562 -3.117) 7.172 9.896 ( -4.573 4.562 3.117) 7.172 10.177 ( 0.534 0.483 -4.948) 5.000 10.177 ( -0.534 0.483 4.948) 5.000 10.460 ( -2.766 -3.188 -3.743) 5.641 10.460 ( 2.766 -3.188 3.743) 5.641 10.597 ( -0.727 2.177 -7.286) 7.639 10.597 ( 0.727 2.177 7.286) 7.639 10.911 ( -0.479 -8.356 -2.655) 8.780 10.911 ( 0.479 -8.356 2.655) 8.780 12.161 ( -0.492 6.809 -0.916) 6.887 12.161 ( 0.492 6.809 0.916) 6.887 12.418 ( -0.929 -4.650 -1.768) 5.061 12.418 ( 0.929 -4.650 1.768) 5.061 13.930 ( -0.477 -1.299 -2.760) 3.087 13.930 ( 0.477 -1.299 2.760) 3.087 14.016 ( -0.280 0.380 -0.840) 0.964 14.016 ( 0.280 0.380 0.840) 0.964 14.517 ( -0.368 -5.331 -4.716) 7.127 14.517 ( 0.368 -5.331 4.716) 7.127 15.319 ( -0.772 3.295 -0.222) 3.391 15.319 ( 0.772 3.295 0.222) 3.391 15.450 ( -3.301 0.685 0.438) 3.400 15.450 ( 3.301 0.685 -0.438) 3.400 15.605 ( -1.050 3.424 -1.439) 3.859 15.605 ( 1.050 3.424 1.439) 3.859 15.684 ( 1.153 -0.805 -3.115) 3.418 15.684 ( -1.153 -0.805 3.115) 3.418 15.890 ( -3.851 -2.073 -3.070) 5.343 15.890 ( 3.851 -2.073 3.070) 5.343 16.248 ( -6.872 -0.621 -2.754) 7.430 16.248 ( 6.872 -0.621 2.754) 7.430 16.460 ( -2.278 -1.643 -1.872) 3.376 16.460 ( 2.278 -1.643 1.872) 3.376 17.611 ( 1.410 2.256 -4.403) 5.145 17.611 ( -1.410 2.256 4.403) 5.145 17.826 ( 0.357 -2.560 -1.704) 3.096 17.826 ( -0.357 -2.560 1.704) 3.096 21.331 ( 0.941 5.982 -1.273) 6.188 21.331 ( -0.941 5.982 1.273) 6.188 21.676 ( -0.683 -1.172 -1.824) 2.273 21.676 ( 0.683 -1.172 1.824) 2.273 26.999 ( 0.138 -1.234 -1.039) 1.619 26.999 ( -0.138 -1.234 1.039) 1.619 27.502 ( -1.214 1.263 -5.419) 5.695 27.502 ( 1.214 1.263 5.419) 5.695 28.850 ( -0.319 -0.879 0.023) 0.936 28.850 ( 0.319 -0.879 -0.023) 0.936 29.166 ( -0.302 2.178 -1.780) 2.829 29.166 ( 0.302 2.178 1.780) 2.829 29.734 ( -1.264 1.311 -2.940) 3.459 29.734 ( 1.264 1.311 2.940) 3.459 30.219 ( -0.074 0.198 -1.509) 1.524 30.219 ( 0.074 0.198 1.509) 1.524 30.433 ( 0.473 5.618 -5.150) 7.636 30.433 ( -0.473 5.618 5.150) 7.636 30.744 ( -0.586 -5.947 -1.114) 6.079 30.744 ( 0.586 -5.947 1.114) 6.079 30.949 ( 3.259 1.687 -2.490) 4.435 30.949 ( -3.259 1.687 2.490) 4.435 31.377 ( -4.587 0.471 -1.118) 4.744 31.377 ( 4.587 0.471 1.118) 4.744 31.578 ( -1.704 1.260 -5.023) 5.452 31.578 ( 1.704 1.260 5.023) 5.452 31.879 ( -2.443 -12.420 -6.812) 14.374 31.879 ( 2.443 -12.420 6.812) 14.374 33.120 ( 1.195 6.745 -6.109) 9.178 33.120 ( -1.195 6.745 6.109) 9.178 33.359 ( 2.927 -3.171 -9.147) 10.114 33.359 ( -2.927 -3.171 9.147) 10.114 ======================= Grid point 173 (78/88) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 2.206 6.158 -4.157) 7.751 1.084 ( 2.911 1.404 5.885) 6.714 1.227 ( 1.447 11.734 -7.521) 14.013 1.426 ( 0.680 2.660 2.809) 3.927 1.555 ( 1.015 1.361 0.671) 1.826 1.591 ( 5.032 1.977 3.572) 6.479 1.720 ( -1.215 -1.584 -0.966) 2.217 1.791 ( 1.549 -6.338 2.054) 6.840 1.976 ( 5.074 4.245 -1.683) 6.826 2.012 ( 4.051 5.470 1.566) 6.985 2.163 ( 2.014 -3.526 -2.317) 4.675 2.206 ( 2.575 -5.524 -1.847) 6.368 2.395 ( -1.222 6.481 1.196) 6.702 2.531 ( 8.053 5.655 -2.212) 10.085 2.642 ( 3.178 1.135 -3.415) 4.801 2.732 ( 5.359 2.821 2.415) 6.520 2.830 ( -2.121 0.322 -9.010) 9.262 2.982 ( 1.654 -9.855 -1.616) 10.123 3.025 ( 1.197 -3.061 -0.516) 3.328 3.178 ( 4.560 -3.164 -3.726) 6.685 3.210 ( 2.471 -1.360 -1.762) 3.326 3.338 ( -4.434 -5.819 9.787) 12.219 3.473 ( 2.517 0.765 3.469) 4.354 3.558 ( 2.474 -2.271 4.859) 5.907 3.622 ( -0.749 7.856 -1.764) 8.087 3.818 ( 6.140 2.479 -1.541) 6.799 3.898 ( -2.242 5.486 -1.101) 6.028 3.976 ( 3.966 -0.869 2.250) 4.642 4.043 ( 0.334 -4.261 -2.280) 4.844 4.112 ( -2.400 -3.042 -4.083) 5.629 4.280 ( 6.114 1.005 2.761) 6.784 4.377 ( 6.642 -2.208 -0.094) 7.001 4.548 ( 1.265 4.695 0.896) 4.944 4.658 ( 3.141 8.138 1.600) 8.868 4.774 ( 1.095 2.220 -2.244) 3.341 4.953 ( 0.358 4.623 -3.284) 5.682 5.009 ( 5.647 -0.629 -0.251) 5.688 5.042 ( -0.621 1.294 7.314) 7.454 5.352 ( -2.535 -7.058 0.201) 7.502 5.389 ( 1.093 -7.276 -4.132) 8.438 5.708 ( -4.705 2.976 -1.507) 5.767 5.767 ( -0.344 3.743 -1.086) 3.912 5.933 ( -5.628 3.902 4.484) 8.186 6.060 ( 2.392 2.549 -3.719) 5.104 6.285 ( -5.212 8.307 4.990) 11.003 6.410 ( -6.043 0.673 2.452) 6.556 6.525 ( 3.019 -3.674 0.084) 4.756 6.582 ( 4.186 -2.501 -5.843) 7.610 7.162 ( -3.590 3.559 -1.414) 5.249 7.228 ( -4.934 3.868 4.510) 7.723 7.389 ( -2.982 -0.171 -2.232) 3.729 7.561 ( -0.166 -4.339 -0.264) 4.350 7.816 ( -3.364 -2.363 -3.303) 5.274 7.930 ( -3.926 -2.413 -2.886) 5.438 7.955 ( -3.141 -5.284 5.724) 8.400 8.075 ( -0.912 -1.864 5.689) 6.055 8.358 ( 0.789 3.040 1.663) 3.553 8.359 ( -0.158 0.543 -3.415) 3.461 8.540 ( -0.413 -7.811 0.058) 7.822 8.649 ( 4.455 -5.136 0.633) 6.828 9.621 ( -4.225 7.305 3.460) 9.121 9.727 ( 2.855 6.753 -5.958) 9.447 9.812 ( -5.001 6.729 2.788) 8.836 9.987 ( 5.868 2.395 -3.147) 7.076 10.105 ( -2.995 0.041 -3.378) 4.514 10.188 ( -1.648 -0.745 2.427) 3.027 10.402 ( -0.337 -1.573 -2.584) 3.044 10.474 ( -1.746 2.259 -2.239) 3.629 10.570 ( 0.120 1.663 -1.158) 2.030 10.707 ( 4.840 -3.575 4.902) 7.761 10.907 ( 1.373 -6.849 -0.425) 6.998 10.960 ( 1.355 -7.951 4.306) 9.143 12.143 ( 0.090 5.984 0.377) 5.997 12.216 ( 3.922 6.150 -0.828) 7.341 12.383 ( -1.223 -4.618 -1.097) 4.901 12.446 ( 0.800 -4.050 0.527) 4.162 13.887 ( -1.984 -0.528 -1.851) 2.764 13.938 ( -2.038 -2.141 2.416) 3.818 13.977 ( -2.723 0.740 -0.195) 2.828 14.013 ( -0.261 -0.785 -0.651) 1.052 14.480 ( -0.116 -3.009 -2.706) 4.048 14.551 ( -0.954 -6.081 5.083) 7.982 15.212 ( -6.074 3.323 1.127) 7.015 15.339 ( -2.739 -2.230 -0.315) 3.546 15.421 ( -0.031 6.269 0.440) 6.285 15.494 ( 0.538 1.762 0.506) 1.911 15.585 ( -0.027 1.680 -1.032) 1.972 15.631 ( -1.292 1.483 1.162) 2.285 15.661 ( -1.240 0.201 -0.758) 1.467 15.665 ( -2.547 -1.588 2.664) 4.013 15.809 ( -0.971 2.081 -1.787) 2.910 15.898 ( -3.684 0.853 -0.589) 3.827 16.223 ( 4.771 -0.105 1.029) 4.882 16.374 ( -0.150 1.558 1.951) 2.501 16.450 ( 6.819 -6.212 -3.912) 10.019 16.534 ( 3.936 -3.814 1.420) 5.662 17.576 ( -1.544 2.200 -2.060) 3.386 17.608 ( -2.104 1.513 2.057) 3.309 17.804 ( -1.947 -2.370 -0.300) 3.082 17.816 ( -2.258 -2.542 1.736) 3.817 21.310 ( -1.528 6.394 -0.142) 6.576 21.334 ( 0.512 5.657 -1.349) 5.838 21.614 ( -4.117 -0.680 -1.507) 4.437 21.667 ( -2.694 -1.983 1.582) 3.700 26.963 ( -1.450 -0.901 -3.898) 4.256 26.975 ( -1.728 -0.884 -3.020) 3.590 27.400 ( -6.259 3.748 0.483) 7.311 27.485 ( -7.869 0.887 6.275) 10.104 28.844 ( 0.026 -0.615 -0.624) 0.877 28.858 ( 0.747 -1.094 -0.754) 1.524 29.131 ( -2.397 2.732 0.044) 3.635 29.161 ( -2.558 1.472 2.235) 3.702 29.667 ( -2.275 2.555 -2.921) 4.498 29.715 ( -3.467 0.627 -1.317) 3.761 30.134 ( -6.827 1.122 -1.575) 7.095 30.185 ( -4.316 -1.242 2.410) 5.097 30.409 ( 0.962 5.613 -1.430) 5.871 30.465 ( 1.123 6.010 0.997) 6.195 30.726 ( 0.241 -4.448 1.528) 4.709 30.779 ( 1.303 -3.903 0.847) 4.201 30.937 ( 0.547 4.756 1.092) 4.911 31.086 ( 7.790 -1.352 0.679) 7.935 31.348 ( 1.731 -1.573 1.980) 3.065 31.481 ( 2.694 -4.619 -0.354) 5.359 31.565 ( 5.146 2.346 -4.731) 7.374 31.718 ( 8.624 1.862 0.913) 8.870 31.887 ( 8.979 -11.650 -4.578) 15.405 32.069 ( 12.934 -10.943 2.346) 17.104 33.085 ( -0.308 6.529 -5.172) 8.335 33.144 ( -1.643 6.665 5.303) 8.674 33.327 ( 0.325 -3.920 -4.925) 6.303 33.404 ( 1.630 -5.538 6.064) 8.373 ======================= Grid point 174 (79/88) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 6.495 6.567 1.011) 9.291 1.157 ( 2.884 -0.576 0.954) 3.092 1.250 ( 4.102 5.624 -2.292) 7.328 1.408 ( -1.831 -2.059 -0.502) 2.801 1.590 ( 1.016 3.604 1.611) 4.076 1.678 ( 0.135 4.816 3.072) 5.714 1.745 ( 5.235 -3.507 -1.192) 6.413 1.831 ( 0.312 -5.465 2.988) 6.236 2.059 ( 1.731 2.750 1.425) 3.548 2.080 ( 4.296 1.345 -5.136) 6.829 2.203 ( 0.911 -3.420 -2.675) 4.437 2.239 ( 5.830 -3.597 -4.206) 8.039 2.375 ( -1.477 8.609 0.481) 8.748 2.641 ( 1.351 1.525 -7.191) 7.474 2.689 ( 7.716 2.810 3.251) 8.832 2.727 ( 0.282 1.559 0.270) 1.607 2.955 ( 10.168 -0.101 -1.523) 10.282 3.015 ( 4.053 -7.608 -0.447) 8.632 3.086 ( 7.975 -1.593 -2.674) 8.561 3.176 ( -1.577 -5.448 3.615) 6.725 3.336 ( 3.522 3.984 3.135) 6.173 3.393 ( 9.827 0.927 0.800) 9.903 3.560 ( 4.136 -1.779 1.712) 4.817 3.603 ( 3.624 -1.134 -0.214) 3.804 3.671 ( 2.836 5.709 1.373) 6.521 3.828 ( -2.055 3.833 1.525) 4.609 3.945 ( 6.387 -0.746 -1.531) 6.610 4.024 ( -0.935 -4.688 1.857) 5.128 4.092 ( 5.414 -0.469 -2.750) 6.091 4.137 ( 6.229 -2.652 -0.981) 6.841 4.384 ( 2.070 2.685 5.619) 6.562 4.478 ( 5.316 0.094 -2.771) 5.996 4.608 ( 1.582 1.193 2.548) 3.228 4.649 ( 0.732 2.116 -2.053) 3.038 4.853 ( 4.889 6.384 -2.926) 8.557 4.950 ( 1.495 4.040 -1.327) 4.507 5.044 ( 0.262 2.671 1.167) 2.926 5.133 ( 2.196 0.884 4.172) 4.797 5.269 ( -5.618 -6.654 -3.269) 9.302 5.374 ( 1.760 -9.001 -3.887) 9.961 5.625 ( -3.054 -0.834 2.137) 3.819 5.744 ( -0.194 1.225 -2.635) 2.912 5.895 ( -2.308 5.912 3.491) 7.244 6.091 ( 4.565 3.243 -4.627) 7.263 6.243 ( -4.890 6.187 4.769) 9.216 6.303 ( -5.622 3.796 4.144) 7.949 6.538 ( -1.448 -4.013 -2.733) 5.066 6.581 ( -0.433 -1.317 -1.810) 2.280 7.059 ( -6.200 3.985 0.980) 7.435 7.149 ( -5.313 2.548 2.328) 6.336 7.349 ( -1.818 4.797 -0.657) 5.172 7.525 ( -2.506 -1.956 -0.669) 3.249 7.740 ( -2.835 -2.137 -0.870) 3.655 7.806 ( -5.941 0.288 -2.964) 6.645 7.925 ( -3.505 -9.219 2.489) 10.172 8.039 ( -6.256 -1.130 2.889) 6.983 8.333 ( 1.751 2.805 -4.342) 5.458 8.407 ( 1.287 1.546 3.896) 4.385 8.564 ( 2.399 -9.213 0.106) 9.521 8.719 ( 2.013 -5.036 0.575) 5.454 9.597 ( -1.582 6.087 3.783) 7.339 9.695 ( -1.110 0.905 -5.398) 5.585 9.770 ( -1.555 11.320 2.613) 11.721 10.031 ( -2.039 -0.284 -2.941) 3.590 10.074 ( 4.324 2.433 0.312) 4.972 10.177 ( -1.628 -3.005 3.674) 5.018 10.379 ( -0.504 1.032 -2.410) 2.669 10.420 ( -1.325 3.665 -3.184) 5.033 10.543 ( -2.245 2.439 -0.195) 3.320 10.806 ( 3.158 -7.616 0.333) 8.251 10.947 ( 2.685 -4.925 -0.839) 5.672 11.008 ( 0.626 -7.662 2.520) 8.090 12.165 ( 1.484 4.434 0.645) 4.720 12.289 ( 4.540 4.687 -1.128) 6.622 12.361 ( -0.885 -4.304 0.310) 4.405 12.461 ( 0.778 -2.869 0.090) 2.974 13.834 ( -2.430 -0.017 -0.698) 2.528 13.895 ( -2.804 -0.498 -0.314) 2.865 13.934 ( -2.056 -1.399 1.637) 2.977 14.009 ( 0.248 -2.695 -0.696) 2.794 14.477 ( 1.324 -0.878 -0.772) 1.767 14.564 ( -0.937 -4.266 3.688) 5.717 15.117 ( -4.833 3.096 -0.060) 5.740 15.258 ( -5.788 -2.534 -0.717) 6.359 15.395 ( -2.270 7.544 0.596) 7.900 15.500 ( -0.253 2.037 0.970) 2.270 15.554 ( -2.250 0.454 -1.354) 2.665 15.589 ( -0.669 1.476 -1.783) 2.409 15.635 ( -1.546 -0.545 2.032) 2.611 15.666 ( -0.788 -3.023 2.570) 4.046 15.808 ( 1.354 4.235 -2.845) 5.279 15.848 ( -0.896 2.815 0.890) 3.085 16.326 ( 3.474 0.682 1.756) 3.952 16.369 ( 0.616 3.790 -0.533) 3.877 16.542 ( 4.692 -8.072 -2.987) 9.803 16.622 ( 3.223 -5.875 2.120) 7.029 17.527 ( -1.301 1.893 -3.009) 3.786 17.583 ( -1.962 0.224 2.361) 3.078 17.745 ( -3.958 -2.026 -0.181) 4.450 17.765 ( -4.180 -2.348 1.042) 4.906 21.280 ( -0.981 6.092 -0.913) 6.238 21.335 ( 0.643 5.477 -1.000) 5.604 21.518 ( -4.685 -0.830 -0.801) 4.825 21.616 ( -3.566 -2.731 1.254) 4.664 26.891 ( -1.987 0.716 -4.229) 4.727 26.919 ( -1.925 -0.451 -1.864) 2.717 27.296 ( -6.110 3.132 2.219) 7.216 27.343 ( -9.732 2.429 2.966) 10.460 28.843 ( 0.562 -0.345 -0.858) 1.082 28.868 ( 0.966 -1.161 -0.846) 1.731 29.083 ( -2.905 2.582 0.588) 3.931 29.117 ( -3.051 1.072 1.124) 3.423 29.611 ( -1.782 1.974 -1.807) 3.216 29.647 ( -1.439 0.462 -2.212) 2.679 29.983 ( -7.520 2.212 -0.783) 7.877 30.101 ( -6.426 -3.027 2.277) 7.459 30.441 ( 1.809 5.217 1.727) 5.786 30.513 ( 4.513 4.396 -2.132) 6.651 30.748 ( 0.613 -2.356 0.378) 2.463 30.823 ( 2.471 -4.030 0.700) 4.779 30.964 ( 0.923 8.398 2.895) 8.931 31.206 ( 3.402 -0.000 3.031) 4.556 31.376 ( -1.267 -3.703 3.689) 5.378 31.484 ( 0.723 -1.490 -7.352) 7.536 31.660 ( 6.138 0.674 -1.720) 6.410 31.877 ( 8.384 0.664 -0.969) 8.466 32.112 ( 14.026 -9.352 1.409) 16.917 32.346 ( 14.301 -8.577 -0.026) 16.676 33.020 ( -2.389 5.826 -5.380) 8.282 33.118 ( -5.034 5.090 3.661) 8.041 33.323 ( 4.411 -4.274 -5.990) 8.579 33.518 ( 3.632 -10.675 8.479) 14.109 ======================= Grid point 175 (80/88) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 6.793 4.495 4.694) 9.401 1.235 ( 4.949 0.068 -0.410) 4.966 1.314 ( 3.866 0.164 -1.161) 4.040 1.385 ( -0.146 -1.928 -0.066) 1.935 1.614 ( 1.188 4.093 0.398) 4.280 1.703 ( 1.228 5.506 1.370) 5.805 1.831 ( 4.094 -6.528 -1.801) 7.913 1.852 ( 0.481 -2.675 2.143) 3.461 2.058 ( 0.502 3.650 -5.830) 6.896 2.073 ( -2.769 -0.821 1.219) 3.134 2.166 ( -0.677 -1.000 -3.234) 3.452 2.307 ( 1.637 -3.589 -0.884) 4.042 2.379 ( 1.554 8.059 2.622) 8.616 2.637 ( 0.635 -4.544 -0.786) 4.655 2.771 ( 4.616 2.904 0.056) 5.454 2.864 ( 6.107 5.541 5.974) 10.183 2.994 ( 1.139 -3.944 -1.271) 4.298 3.177 ( 1.702 -1.879 1.304) 2.851 3.194 ( 3.730 -3.049 1.902) 5.180 3.219 ( 5.609 -0.932 1.060) 5.784 3.458 ( 5.901 2.163 2.781) 6.872 3.587 ( 9.925 0.805 -1.389) 10.054 3.617 ( 2.864 -2.830 -1.924) 4.462 3.714 ( 5.624 5.135 1.157) 7.703 3.764 ( 8.260 2.459 -0.029) 8.618 3.879 ( 5.199 1.149 1.123) 5.442 3.996 ( 1.170 -0.994 4.700) 4.944 4.094 ( 7.522 -1.322 -4.236) 8.733 4.148 ( 2.855 2.410 -3.293) 4.980 4.236 ( 5.810 -4.129 -1.860) 7.366 4.462 ( 0.196 0.617 8.213) 8.239 4.566 ( 3.453 0.934 0.340) 3.593 4.574 ( -1.128 4.932 -0.619) 5.098 4.714 ( 1.899 -1.417 3.866) 4.534 4.876 ( 2.438 7.656 -6.959) 10.630 4.951 ( -1.041 2.263 -3.352) 4.177 5.052 ( -2.461 0.256 -0.951) 2.650 5.084 ( -3.342 -5.004 -3.517) 6.970 5.216 ( 0.421 -1.391 2.233) 2.665 5.391 ( 1.835 -9.604 -3.286) 10.315 5.627 ( 1.081 0.703 2.687) 2.980 5.750 ( 4.046 -0.808 -3.251) 5.253 5.873 ( -3.014 4.353 3.021) 6.096 6.133 ( -1.557 -4.530 1.316) 4.968 6.175 ( -0.141 6.230 -0.095) 6.233 6.300 ( 0.686 9.031 3.213) 9.610 6.449 ( -5.005 -4.342 -1.958) 6.910 6.549 ( -2.909 1.262 2.164) 3.839 6.981 ( -2.638 3.949 0.098) 4.750 7.054 ( -6.646 4.055 2.110) 8.066 7.297 ( -3.205 7.158 0.846) 7.888 7.474 ( -1.356 0.170 -2.739) 3.061 7.652 ( -6.269 1.333 -2.355) 6.828 7.724 ( 0.063 -1.343 -1.408) 1.947 7.854 ( -6.192 -9.741 1.060) 11.592 7.926 ( -5.458 -3.031 0.039) 6.243 8.368 ( 4.932 1.597 -3.505) 6.258 8.455 ( 0.527 1.770 4.265) 4.647 8.605 ( 2.027 -7.903 -1.181) 8.244 8.730 ( -1.606 -3.502 1.502) 4.135 9.586 ( -0.577 2.896 -3.222) 4.370 9.648 ( -2.268 0.772 2.589) 3.528 9.780 ( 0.600 9.604 2.130) 9.856 9.962 ( -2.587 2.282 -2.995) 4.568 10.166 ( 1.649 0.414 6.725) 6.937 10.196 ( 1.165 -2.054 3.646) 4.344 10.345 ( -1.022 1.098 -2.143) 2.616 10.386 ( 0.555 2.713 -2.817) 3.950 10.498 ( -1.926 4.020 -0.529) 4.489 10.830 ( 0.233 -6.267 -3.196) 7.039 10.966 ( 0.839 -6.809 -2.136) 7.186 11.027 ( 0.707 -8.664 -0.597) 8.713 12.199 ( 1.593 3.224 0.442) 3.623 12.341 ( -1.063 -2.436 -0.049) 2.658 12.370 ( 4.195 2.475 -0.667) 4.916 12.484 ( 1.064 -2.025 1.263) 2.613 13.793 ( -1.582 0.470 0.015) 1.650 13.845 ( -1.900 0.118 -0.788) 2.061 13.926 ( -0.559 -2.593 2.312) 3.519 14.006 ( 0.123 -3.921 -1.336) 4.144 14.519 ( 3.095 0.563 0.460) 3.179 14.586 ( 1.030 -2.064 2.152) 3.155 15.018 ( -5.421 3.156 -0.630) 6.304 15.119 ( -7.695 0.468 -0.649) 7.737 15.379 ( 0.644 4.691 -0.714) 4.789 15.488 ( -1.275 0.999 -2.180) 2.716 15.516 ( -0.167 1.424 -0.348) 1.475 15.587 ( 1.134 0.944 0.230) 1.494 15.630 ( -0.490 -0.871 0.689) 1.214 15.678 ( 0.320 -3.602 2.106) 4.185 15.803 ( -0.174 3.748 -1.334) 3.982 15.844 ( -1.445 1.129 1.951) 2.677 16.384 ( 2.174 5.922 1.372) 6.456 16.391 ( 2.212 0.970 -1.584) 2.888 16.579 ( 1.247 -7.276 -1.506) 7.534 16.668 ( 0.143 -5.638 1.298) 5.787 17.495 ( -0.198 1.191 -1.141) 1.661 17.570 ( -0.902 -1.413 0.870) 1.889 17.666 ( -3.910 -1.461 -0.283) 4.183 17.684 ( -4.668 -1.766 0.000) 4.991 21.267 ( 0.252 4.874 -0.597) 4.917 21.344 ( 0.778 5.416 -0.461) 5.491 21.438 ( -3.209 -1.755 -0.307) 3.671 21.556 ( -3.614 -2.800 0.807) 4.643 26.853 ( -0.262 1.369 0.330) 1.432 26.882 ( -1.080 -0.188 0.395) 1.165 27.191 ( -7.266 2.518 -0.499) 7.706 27.197 ( -5.131 1.501 -0.743) 5.397 28.853 ( 1.092 -0.074 -0.661) 1.278 28.881 ( 0.995 -1.066 -0.445) 1.525 29.037 ( -2.228 2.283 0.275) 3.201 29.071 ( -2.421 0.625 0.336) 2.523 29.583 ( -0.328 0.917 0.164) 0.987 29.619 ( -0.441 -0.497 -1.139) 1.319 29.855 ( -5.718 2.318 0.075) 6.171 29.987 ( -7.034 -3.512 1.201) 7.953 30.497 ( 2.347 4.924 2.675) 6.075 30.588 ( 5.613 2.406 -3.725) 7.153 30.754 ( -0.055 -1.089 0.123) 1.097 30.837 ( -0.703 -2.727 -2.633) 3.856 31.042 ( 3.328 7.864 6.819) 10.928 31.250 ( 0.142 3.620 -0.329) 3.637 31.389 ( -0.942 -5.767 5.387) 7.948 31.405 ( -2.533 -0.149 -6.699) 7.163 31.758 ( 5.059 3.955 0.300) 6.429 31.990 ( 4.092 5.365 -1.427) 6.896 32.389 ( 13.010 -9.037 3.147) 16.150 32.577 ( 10.162 -6.157 -0.267) 11.885 32.922 ( -3.337 4.809 -4.999) 7.698 33.030 ( -5.356 0.798 0.406) 5.430 33.398 ( 7.720 -4.134 -5.477) 10.329 33.629 ( 0.900 -13.026 7.563) 15.089 ======================= Grid point 176 (81/88) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 2.256 2.123 3.132) 4.405 1.314 ( 3.590 1.000 -1.205) 3.917 1.361 ( 1.589 -1.271 -0.896) 2.224 1.395 ( -0.221 -1.006 1.689) 1.979 1.660 ( 4.241 2.778 -1.316) 5.238 1.749 ( 2.390 5.073 0.739) 5.656 1.837 ( 0.132 -4.692 -1.666) 4.980 1.894 ( 0.460 -3.150 1.400) 3.478 2.001 ( -4.380 2.729 0.745) 5.214 2.054 ( -1.711 4.848 -0.322) 5.151 2.154 ( 5.611 -3.411 -4.167) 7.777 2.312 ( -1.331 -4.831 1.481) 5.225 2.463 ( 4.105 6.574 4.837) 9.136 2.641 ( -0.564 -1.194 0.215) 1.338 2.851 ( 3.094 6.023 2.406) 7.186 3.011 ( 5.240 3.251 2.617) 6.699 3.024 ( 2.200 -4.605 0.083) 5.104 3.136 ( -4.344 3.030 -3.409) 6.299 3.237 ( -0.430 -4.121 4.627) 6.211 3.275 ( -0.567 -4.410 -0.706) 4.502 3.545 ( 3.109 -1.734 -1.363) 3.812 3.624 ( -1.333 -2.124 0.399) 2.539 3.792 ( 11.288 6.212 0.116) 12.885 3.838 ( 6.209 6.284 2.539) 9.191 3.919 ( 1.049 -2.108 6.918) 7.308 3.952 ( 6.160 1.443 -1.386) 6.477 4.071 ( 2.386 1.906 -6.568) 7.243 4.148 ( 1.007 2.755 -4.777) 5.606 4.244 ( 10.249 0.258 1.152) 10.317 4.342 ( 5.601 -5.111 -1.479) 7.726 4.519 ( -0.056 0.855 7.081) 7.132 4.539 ( 0.225 6.782 0.207) 6.788 4.643 ( 0.772 0.041 2.500) 2.616 4.741 ( -4.670 3.171 4.865) 7.452 4.832 ( 0.218 -3.576 -5.464) 6.533 4.887 ( -1.766 4.358 -5.555) 7.278 4.956 ( -1.071 -6.259 0.404) 6.362 5.064 ( -0.452 -3.520 -3.117) 4.724 5.235 ( 0.267 -0.141 1.231) 1.268 5.355 ( -1.879 -4.798 -5.513) 7.546 5.695 ( 3.346 1.227 2.441) 4.320 5.830 ( -2.823 1.587 1.974) 3.793 5.849 ( 8.234 0.053 -4.608) 9.435 6.069 ( -6.672 -2.653 5.977) 9.342 6.219 ( 2.643 1.660 0.154) 3.125 6.332 ( -0.486 3.258 -4.669) 5.714 6.374 ( 0.946 0.591 2.028) 2.314 6.509 ( -3.970 1.744 3.663) 5.676 6.941 ( -1.855 4.917 -0.482) 5.278 6.959 ( -4.085 4.044 1.903) 6.055 7.270 ( -0.915 8.246 3.456) 8.988 7.421 ( -1.243 5.000 -7.238) 8.885 7.541 ( -2.781 -0.257 0.322) 2.811 7.695 ( -6.315 -1.799 -0.713) 6.605 7.757 ( 0.481 -7.239 -0.607) 7.281 7.850 ( -3.208 -6.674 -0.116) 7.406 8.449 ( 5.784 0.272 -3.016) 6.528 8.494 ( 0.317 0.866 3.664) 3.779 8.619 ( 0.834 -4.444 -1.607) 4.798 8.689 ( -3.872 -1.493 1.972) 4.594 9.552 ( 1.274 0.107 -5.429) 5.578 9.615 ( -4.438 -1.056 4.143) 6.163 9.820 ( 1.652 7.723 1.932) 8.131 9.902 ( -1.496 5.474 -2.213) 6.091 10.211 ( -0.502 -1.009 4.841) 4.970 10.254 ( -0.518 2.198 2.897) 3.673 10.331 ( 1.189 -0.826 0.490) 1.528 10.402 ( 1.444 -2.996 -1.280) 3.563 10.486 ( 1.792 7.227 2.054) 7.724 10.754 ( -3.625 -2.051 -7.332) 8.433 10.976 ( 1.177 -10.120 -0.093) 10.189 11.023 ( 0.049 -9.823 -2.113) 10.048 12.232 ( 1.577 2.047 0.556) 2.643 12.309 ( -1.742 -1.336 -0.761) 2.323 12.443 ( 3.811 1.757 -0.667) 4.249 12.507 ( -0.238 -1.237 1.716) 2.129 13.777 ( -0.253 0.733 0.425) 0.884 13.810 ( -1.238 0.377 -0.755) 1.498 13.943 ( 0.050 -3.274 2.858) 4.346 13.992 ( -0.110 -4.164 -2.302) 4.759 14.591 ( 3.791 1.423 0.518) 4.083 14.631 ( 2.124 0.035 0.862) 2.293 14.919 ( -4.015 2.492 -0.444) 4.746 14.981 ( -6.386 1.032 -0.104) 6.470 15.395 ( 1.051 2.634 -0.453) 2.872 15.441 ( -1.131 1.654 -2.839) 3.475 15.534 ( 1.731 0.736 0.705) 2.009 15.616 ( 0.253 -1.380 -1.915) 2.374 15.628 ( 1.049 0.130 2.396) 2.619 15.711 ( 1.413 -0.753 1.092) 1.938 15.772 ( -1.422 1.939 -2.077) 3.177 15.824 ( -2.584 -0.066 2.680) 3.723 16.423 ( 2.250 1.024 -0.904) 2.632 16.436 ( 2.112 5.001 0.782) 5.485 16.578 ( -0.290 -5.597 0.159) 5.607 16.650 ( -2.248 -4.497 -0.300) 5.036 17.499 ( 0.741 0.282 0.633) 1.014 17.563 ( 0.011 -2.193 -0.040) 2.194 17.595 ( -3.596 -0.842 -0.739) 3.766 17.610 ( -2.438 -1.348 -0.142) 2.789 21.279 ( 1.269 3.592 -0.156) 3.813 21.342 ( -1.310 4.506 0.119) 4.694 21.407 ( 0.642 -1.986 -0.472) 2.140 21.495 ( -3.390 -2.097 0.434) 4.010 26.880 ( 0.910 0.936 3.761) 3.981 26.892 ( 1.137 0.209 2.646) 2.887 27.064 ( -4.632 2.145 -3.167) 6.007 27.093 ( -4.142 0.626 -3.450) 5.427 28.873 ( 1.373 0.057 -0.356) 1.420 28.895 ( 0.469 -0.781 0.082) 0.915 29.006 ( -0.995 1.823 -0.069) 2.078 29.031 ( -1.883 0.638 -0.110) 1.991 29.598 ( 0.700 -0.102 1.982) 2.104 29.613 ( 0.589 -0.682 -0.681) 1.129 29.773 ( -2.854 0.926 0.103) 3.003 29.864 ( -6.154 -3.111 -0.202) 6.899 30.568 ( 2.803 4.462 3.231) 6.181 30.656 ( 4.764 1.894 -5.141) 7.260 30.748 ( -0.555 -0.770 -0.725) 1.195 30.781 ( -3.237 -0.135 0.280) 3.252 31.147 ( 1.242 5.333 5.434) 7.714 31.232 ( 0.917 4.799 -6.399) 8.051 31.320 ( -1.106 -0.598 -0.361) 1.308 31.408 ( -2.077 -6.205 4.529) 7.958 31.855 ( 3.756 9.025 3.453) 10.367 32.007 ( 0.049 9.968 -3.677) 10.625 32.627 ( 9.583 -7.731 2.230) 12.513 32.723 ( 5.396 -4.906 0.997) 7.361 32.832 ( -2.805 4.046 -2.867) 5.697 32.935 ( -4.286 -3.595 -1.735) 5.856 33.509 ( 8.077 -6.280 -5.128) 11.444 33.659 ( -3.093 -12.057 5.673) 13.679 ======================= Grid point 177 (82/88) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -0.037 0.892 -1.330) 1.602 1.338 ( 0.037 0.892 1.330) 1.602 1.382 ( 2.130 -0.118 -2.085) 2.983 1.382 ( -2.130 -0.118 2.085) 2.983 1.739 ( -3.584 1.641 0.110) 3.944 1.739 ( 3.584 1.641 -0.110) 3.944 1.872 ( 1.800 -2.015 -1.333) 3.013 1.872 ( -1.800 -2.015 1.333) 3.013 1.982 ( -2.960 4.263 0.253) 5.196 1.982 ( 2.960 4.263 -0.253) 5.196 2.263 ( 5.682 -5.610 -4.513) 9.171 2.263 ( -5.682 -5.610 4.513) 9.171 2.585 ( -4.226 5.401 -2.809) 7.411 2.585 ( 4.226 5.401 2.809) 7.411 2.957 ( -5.024 4.198 -5.709) 8.686 2.957 ( 5.024 4.198 5.709) 8.686 3.087 ( -0.126 -2.253 -2.469) 3.345 3.087 ( 0.126 -2.253 2.469) 3.345 3.250 ( 0.970 -3.710 -3.478) 5.177 3.250 ( -0.970 -3.710 3.478) 5.177 3.584 ( 3.059 -1.225 -3.079) 4.509 3.584 ( -3.059 -1.225 3.078) 4.509 3.931 ( 0.811 6.559 -2.659) 7.124 3.931 ( -0.811 6.559 2.659) 7.124 3.975 ( -0.722 0.515 -5.153) 5.228 3.975 ( 0.722 0.515 5.153) 5.228 4.086 ( -2.306 1.868 -3.955) 4.945 4.086 ( 2.306 1.868 3.955) 4.945 4.383 ( -0.314 -0.943 -2.851) 3.019 4.383 ( 0.314 -0.943 2.851) 3.019 4.566 ( 4.401 2.963 -7.494) 9.182 4.566 ( -4.401 2.963 7.494) 9.182 4.644 ( -3.217 -1.337 -1.782) 3.913 4.644 ( 3.217 -1.337 1.782) 3.913 4.843 ( 1.405 -0.404 -6.392) 6.557 4.843 ( -1.405 -0.404 6.392) 6.557 5.001 ( -1.109 -3.843 -4.753) 6.212 5.001 ( 1.109 -3.843 4.753) 6.212 5.272 ( -1.984 -1.117 -3.916) 4.529 5.272 ( 1.984 -1.117 3.916) 4.529 5.773 ( -1.607 1.837 -2.213) 3.294 5.773 ( 1.607 1.837 2.213) 3.294 5.974 ( 8.209 -1.421 -5.457) 9.959 5.974 ( -8.209 -1.421 5.457) 9.959 6.269 ( -1.540 -0.316 -3.253) 3.613 6.269 ( 1.540 -0.316 3.253) 3.613 6.447 ( 2.947 2.444 -4.384) 5.820 6.447 ( -2.947 2.444 4.384) 5.820 6.925 ( 0.358 4.656 -1.583) 4.931 6.925 ( -0.358 4.656 1.583) 4.931 7.322 ( -2.148 7.983 -6.593) 10.574 7.322 ( 2.148 7.983 6.593) 10.574 7.572 ( -3.723 -2.331 -1.688) 4.706 7.572 ( 3.723 -2.331 1.688) 4.706 7.794 ( 0.181 -6.453 -2.353) 6.871 7.794 ( -0.181 -6.453 2.353) 6.871 8.509 ( 2.365 -0.311 -3.290) 4.064 8.509 ( -2.365 -0.311 3.290) 4.064 8.633 ( 2.572 -1.307 -5.819) 6.495 8.633 ( -2.572 -1.307 5.819) 6.495 9.563 ( 3.775 -1.488 -4.571) 6.112 9.563 ( -3.775 -1.488 4.571) 6.112 9.863 ( -0.685 6.733 -2.498) 7.214 9.863 ( 0.685 6.733 2.498) 7.214 10.236 ( -0.479 0.964 -1.699) 2.012 10.236 ( 0.479 0.964 1.699) 2.012 10.378 ( 0.581 -0.986 -4.952) 5.082 10.378 ( -0.581 -0.986 4.952) 5.082 10.607 ( -5.047 1.656 -7.725) 9.375 10.607 ( 5.047 1.656 7.725) 9.375 11.001 ( 1.008 -10.601 -4.135) 11.423 11.001 ( -1.008 -10.601 4.135) 11.423 12.268 ( -1.472 0.469 -1.122) 1.909 12.268 ( 1.472 0.469 1.122) 1.909 12.495 ( 1.470 0.185 -1.172) 1.889 12.495 ( -1.470 0.185 1.172) 1.889 13.787 ( -0.272 0.641 -1.104) 1.305 13.787 ( 0.272 0.641 1.104) 1.305 13.968 ( -0.140 -3.839 -3.005) 4.878 13.968 ( 0.140 -3.839 3.005) 4.878 14.648 ( -0.439 1.690 -0.514) 1.820 14.648 ( 0.439 1.690 0.514) 1.820 14.894 ( -0.910 1.117 -0.572) 1.550 14.894 ( 0.910 1.117 0.572) 1.550 15.410 ( -0.116 1.936 -1.667) 2.557 15.410 ( 0.116 1.936 1.667) 2.557 15.582 ( -1.708 -1.011 -1.444) 2.455 15.582 ( 1.708 -1.011 1.444) 2.455 15.685 ( -2.647 1.786 -1.807) 3.669 15.685 ( 2.647 1.786 1.807) 3.669 15.784 ( 1.789 -0.687 -1.947) 2.732 15.784 ( -1.789 -0.687 1.947) 2.732 16.453 ( -0.080 2.112 -0.613) 2.201 16.453 ( 0.080 2.112 0.613) 2.201 16.597 ( -1.582 -4.013 -1.714) 4.641 16.597 ( 1.582 -4.013 1.714) 4.641 17.531 ( -1.988 -0.162 -1.202) 2.329 17.531 ( 1.988 -0.162 1.202) 2.329 17.577 ( -1.153 -1.919 -0.145) 2.243 17.577 ( 1.153 -1.919 0.145) 2.243 21.309 ( -0.966 3.013 -0.576) 3.216 21.309 ( 0.966 3.013 0.576) 3.216 21.439 ( -2.591 -1.302 0.320) 2.917 21.439 ( 2.591 -1.302 -0.320) 2.917 26.928 ( -0.798 0.628 -1.523) 1.830 26.928 ( 0.798 0.628 1.523) 1.830 27.005 ( -1.430 1.103 -1.722) 2.495 27.005 ( 1.430 1.103 1.722) 2.495 28.893 ( -0.114 -0.220 -0.085) 0.262 28.893 ( 0.114 -0.220 0.085) 0.262 29.004 ( -0.582 1.113 -0.161) 1.266 29.004 ( 0.582 1.113 0.161) 1.266 29.619 ( 0.478 -0.349 -1.969) 2.056 29.619 ( -0.478 -0.349 1.969) 2.056 29.771 ( -2.683 -1.593 -0.698) 3.197 29.771 ( 2.683 -1.593 0.698) 3.197 30.646 ( -1.815 3.680 -4.454) 6.056 30.646 ( 1.815 3.680 4.454) 6.056 30.745 ( 2.800 -0.729 -4.108) 5.025 30.745 ( -2.800 -0.729 4.108) 5.025 31.184 ( 0.298 5.121 -5.967) 7.868 31.184 ( -0.298 5.121 5.967) 7.868 31.369 ( 0.011 -3.939 -2.859) 4.867 31.369 ( -0.011 -3.939 2.859) 4.867 31.948 ( -2.190 11.629 -5.123) 12.895 31.948 ( 2.190 11.629 5.123) 12.895 32.760 ( 2.732 -2.451 -7.696) 8.526 32.760 ( -2.732 -2.451 7.696) 8.526 32.834 ( -4.386 -4.218 -3.259) 6.903 32.834 ( 4.386 -4.218 3.259) 6.903 33.608 ( 5.337 -9.423 -8.848) 13.985 33.608 ( -5.337 -9.423 8.848) 13.985 ======================= Grid point 183 (83/88) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.000 0.000 0.000) 0.000 1.051 ( 0.000 0.000 0.000) 0.000 1.525 ( -0.000 -0.000 -0.000) 0.000 1.525 ( 0.000 0.000 -0.000) 0.000 1.529 ( -0.000 0.000 0.000) 0.000 1.529 ( -0.000 -0.000 0.000) 0.000 1.601 ( -0.000 -0.000 -0.000) 0.000 1.601 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 -0.000 -0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.072 ( -0.000 0.000 0.000) 0.000 2.072 ( -0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.492 ( -0.000 0.000 0.000) 0.000 2.787 ( 0.000 -0.000 0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 2.819 ( -0.000 -0.000 -0.000) 0.000 2.819 ( -0.000 0.000 0.000) 0.000 3.057 ( -0.000 0.000 0.000) 0.000 3.057 ( -0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 -0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 3.456 ( -0.000 0.000 0.000) 0.000 3.456 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 -0.000) 0.000 3.828 ( -0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.174 ( -0.000 0.000 -0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.724 ( -0.000 -0.000 -0.000) 0.000 4.724 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 -0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 5.036 ( 0.000 -0.000 0.000) 0.000 5.036 ( -0.000 0.000 0.000) 0.000 5.295 ( -0.000 -0.000 0.000) 0.000 5.295 ( -0.000 0.000 0.000) 0.000 5.791 ( -0.000 0.000 0.000) 0.000 5.791 ( -0.000 0.000 0.000) 0.000 6.056 ( 0.000 0.000 0.000) 0.000 6.056 ( 0.000 0.000 0.000) 0.000 6.456 ( 0.000 -0.000 -0.000) 0.000 6.456 ( -0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 -0.000) 0.000 6.479 ( -0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.313 ( -0.000 0.000 0.000) 0.000 7.409 ( -0.000 0.000 0.000) 0.000 7.409 ( 0.000 0.000 0.000) 0.000 7.885 ( -0.000 0.000 0.000) 0.000 7.885 ( 0.000 0.000 0.000) 0.000 7.983 ( -0.000 0.000 -0.000) 0.000 7.983 ( -0.000 0.000 0.000) 0.000 8.334 ( -0.000 0.000 0.000) 0.000 8.334 ( 0.000 0.000 0.000) 0.000 8.541 ( -0.000 0.000 0.000) 0.000 8.541 ( 0.000 0.000 0.000) 0.000 9.751 ( -0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 9.976 ( 0.000 0.000 0.000) 0.000 9.976 ( 0.000 0.000 0.000) 0.000 10.224 ( -0.000 -0.000 0.000) 0.000 10.224 ( -0.000 0.000 0.000) 0.000 10.369 ( -0.000 0.000 0.000) 0.000 10.369 ( 0.000 0.000 0.000) 0.000 10.657 ( -0.000 0.000 0.000) 0.000 10.657 ( 0.000 0.000 0.000) 0.000 10.786 ( -0.000 0.000 -0.000) 0.000 10.786 ( -0.000 0.000 0.000) 0.000 12.286 ( 0.000 -0.000 0.000) 0.000 12.286 ( -0.000 0.000 0.000) 0.000 12.318 ( -0.000 -0.000 0.000) 0.000 12.318 ( 0.000 0.000 0.000) 0.000 13.917 ( -0.000 0.000 0.000) 0.000 13.917 ( 0.000 0.000 0.000) 0.000 14.020 ( 0.000 0.000 0.000) 0.000 14.020 ( -0.000 0.000 0.000) 0.000 14.465 ( -0.000 0.000 0.000) 0.000 14.465 ( 0.000 0.000 0.000) 0.000 15.350 ( -0.000 0.000 0.000) 0.000 15.350 ( 0.000 0.000 0.000) 0.000 15.472 ( -0.000 0.000 0.000) 0.000 15.472 ( -0.000 0.000 0.000) 0.000 15.640 ( 0.000 0.000 -0.000) 0.000 15.640 ( -0.000 0.000 0.000) 0.000 15.665 ( -0.000 0.000 0.000) 0.000 15.665 ( 0.000 0.000 0.000) 0.000 15.868 ( 0.000 0.000 0.000) 0.000 15.868 ( 0.000 0.000 0.000) 0.000 16.242 ( 0.000 0.000 0.000) 0.000 16.242 ( -0.000 0.000 0.000) 0.000 16.441 ( -0.000 0.000 0.000) 0.000 16.441 ( -0.000 0.000 0.000) 0.000 17.640 ( 0.000 0.000 0.000) 0.000 17.640 ( -0.000 0.000 0.000) 0.000 17.793 ( -0.000 0.000 0.000) 0.000 17.793 ( 0.000 0.000 0.000) 0.000 21.400 ( -0.000 0.000 0.000) 0.000 21.400 ( 0.000 0.000 0.000) 0.000 21.657 ( 0.000 0.000 0.000) 0.000 21.657 ( 0.000 0.000 0.000) 0.000 26.988 ( 0.000 0.000 0.000) 0.000 26.988 ( -0.000 0.000 0.000) 0.000 27.513 ( -0.000 0.000 0.000) 0.000 27.513 ( -0.000 0.000 0.000) 0.000 28.842 ( -0.000 0.000 0.000) 0.000 28.842 ( 0.000 0.000 0.000) 0.000 29.188 ( 0.000 0.000 0.000) 0.000 29.188 ( 0.000 0.000 0.000) 0.000 29.748 ( 0.000 0.000 0.000) 0.000 29.748 ( -0.000 0.000 0.000) 0.000 30.221 ( 0.000 0.000 0.000) 0.000 30.221 ( -0.000 0.000 0.000) 0.000 30.520 ( -0.000 -0.000 0.000) 0.000 30.520 ( -0.000 0.000 0.000) 0.000 30.650 ( 0.000 0.000 0.000) 0.000 30.650 ( 0.000 0.000 0.000) 0.000 30.971 ( -0.000 0.000 0.000) 0.000 30.971 ( -0.000 0.000 0.000) 0.000 31.383 ( -0.000 0.000 0.000) 0.000 31.383 ( -0.000 0.000 0.000) 0.000 31.611 ( -0.000 0.000 0.000) 0.000 31.611 ( 0.000 0.000 0.000) 0.000 31.729 ( 0.000 0.000 0.000) 0.000 31.729 ( -0.000 0.000 0.000) 0.000 33.235 ( 0.000 0.000 -0.000) 0.000 33.235 ( -0.000 0.000 0.000) 0.000 33.279 ( 0.000 0.000 -0.000) 0.000 33.279 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 187 (84/88) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.547 -3.447 2.572) 4.335 1.064 ( 0.547 3.447 2.572) 4.335 1.419 ( -3.336 -5.097 -3.359) 6.956 1.419 ( -3.336 5.097 -3.359) 6.956 1.604 ( 2.289 -3.614 0.860) 4.363 1.604 ( 2.289 3.614 0.860) 4.363 1.677 ( 4.260 -3.742 3.411) 6.616 1.677 ( 4.260 3.742 3.411) 6.616 2.066 ( 5.183 -2.576 -3.516) 6.772 2.066 ( 5.183 2.576 -3.516) 6.772 2.102 ( 1.808 -1.304 0.244) 2.243 2.102 ( 1.808 1.304 0.244) 2.243 2.526 ( 2.090 -4.956 0.435) 5.397 2.526 ( 2.090 4.956 0.435) 5.397 2.772 ( 0.770 -7.039 -5.073) 8.711 2.772 ( 0.770 7.039 -5.073) 8.711 2.850 ( 5.402 -2.839 -3.550) 7.060 2.850 ( 5.402 2.839 -3.550) 7.060 3.013 ( -0.953 -6.922 -0.156) 6.989 3.013 ( -0.953 6.922 -0.156) 6.989 3.244 ( 3.896 -2.414 5.699) 7.314 3.244 ( 3.896 2.414 5.699) 7.314 3.508 ( 2.651 -2.132 2.851) 4.439 3.508 ( 2.651 2.132 2.851) 4.439 3.798 ( -0.033 -5.861 -2.356) 6.317 3.798 ( -0.033 5.861 -2.356) 6.317 3.966 ( 3.446 -0.785 -1.317) 3.772 3.966 ( 3.446 0.785 -1.317) 3.772 4.019 ( -3.534 -5.194 -0.744) 6.326 4.019 ( -3.534 5.194 -0.744) 6.326 4.326 ( 7.666 -3.097 1.456) 8.395 4.326 ( 7.666 3.097 1.456) 8.395 4.673 ( -2.830 -6.063 -0.299) 6.697 4.673 ( -2.830 6.063 -0.299) 6.697 4.909 ( 6.580 -8.895 1.743) 11.201 4.909 ( 6.580 8.895 1.743) 11.201 5.041 ( 0.469 -3.796 -0.401) 3.846 5.041 ( 0.469 3.796 -0.401) 3.846 5.284 ( -1.155 -1.571 -0.589) 2.037 5.284 ( -1.155 1.571 -0.589) 2.037 5.733 ( -4.219 -2.797 -1.387) 5.249 5.733 ( -4.219 2.797 -1.387) 5.249 6.071 ( 0.422 -3.981 0.662) 4.058 6.071 ( 0.422 3.981 0.662) 4.058 6.419 ( -5.884 -2.369 7.938) 10.161 6.419 ( -5.884 2.369 7.938) 10.161 6.499 ( 3.497 -3.952 -6.669) 8.504 6.499 ( 3.497 3.952 -6.669) 8.504 7.245 ( -4.489 -2.853 -1.922) 5.655 7.245 ( -4.489 2.853 -1.922) 5.655 7.429 ( 0.418 -5.796 0.983) 5.893 7.429 ( 0.418 5.796 0.983) 5.893 7.846 ( -2.563 -3.862 -2.425) 5.231 7.846 ( -2.563 3.862 -2.425) 5.231 7.983 ( -3.417 -6.108 5.257) 8.753 7.983 ( -3.417 6.108 5.257) 8.753 8.332 ( 0.867 -2.520 -0.379) 2.692 8.332 ( 0.867 2.520 -0.379) 2.692 8.561 ( 1.851 -4.917 -0.492) 5.277 8.561 ( 1.851 4.917 -0.492) 5.277 9.724 ( -1.903 -3.222 -1.200) 3.930 9.724 ( -1.903 3.222 -1.200) 3.930 9.977 ( -0.425 -5.169 0.713) 5.235 9.977 ( -0.425 5.169 0.713) 5.235 10.165 ( -3.112 -4.111 -1.231) 5.301 10.165 ( -3.112 4.111 -1.231) 5.301 10.418 ( 3.032 -5.353 -1.042) 6.240 10.418 ( 3.032 5.353 -1.042) 6.240 10.639 ( 0.058 -4.695 -2.828) 5.481 10.639 ( 0.058 4.695 -2.828) 5.481 10.840 ( 2.255 -2.383 5.251) 6.191 10.840 ( 2.255 2.383 5.251) 6.191 12.268 ( -0.673 -5.821 -0.460) 5.878 12.268 ( -0.673 5.821 -0.460) 5.878 12.346 ( 1.973 -5.586 0.062) 5.924 12.346 ( 1.973 5.586 0.062) 5.924 13.897 ( -2.098 -1.467 0.422) 2.595 13.897 ( -2.098 1.467 0.422) 2.595 13.997 ( -1.718 -0.927 -0.950) 2.171 13.997 ( -1.718 0.927 -0.950) 2.171 14.471 ( 0.226 -1.865 1.195) 2.226 14.471 ( 0.226 1.865 1.195) 2.226 15.280 ( -5.538 -3.243 0.926) 6.484 15.280 ( -5.538 3.243 0.926) 6.484 15.513 ( 2.468 -1.244 0.113) 2.766 15.513 ( 2.468 1.244 0.113) 2.766 15.609 ( -3.073 -2.090 0.282) 3.727 15.609 ( -3.073 2.090 0.282) 3.727 15.655 ( -1.242 -0.936 -0.164) 1.564 15.655 ( -1.242 0.936 -0.164) 1.564 15.869 ( 0.101 -3.077 -0.012) 3.079 15.869 ( 0.101 3.077 -0.012) 3.079 16.293 ( 5.038 -6.047 -0.754) 7.907 16.293 ( 5.038 6.047 -0.754) 7.907 16.455 ( 1.308 -3.699 0.472) 3.952 16.455 ( 1.308 3.699 0.472) 3.952 17.615 ( -2.056 -1.117 -0.576) 2.410 17.615 ( -2.056 1.117 -0.576) 2.410 17.780 ( -2.120 -0.499 1.228) 2.500 17.780 ( -2.120 0.499 1.228) 2.500 21.392 ( -0.333 -0.927 -1.223) 1.571 21.392 ( -0.333 0.927 -1.223) 1.571 21.620 ( -3.730 -1.841 0.528) 4.193 21.620 ( -3.730 1.841 0.528) 4.193 26.961 ( -1.275 -0.449 -3.228) 3.499 26.961 ( -1.275 0.449 -3.228) 3.499 27.464 ( -6.364 -2.448 3.603) 7.712 27.464 ( -6.364 2.448 3.603) 7.712 28.842 ( 0.434 -0.400 -0.745) 0.950 28.842 ( 0.434 0.400 -0.745) 0.950 29.168 ( -2.496 -0.785 1.050) 2.820 29.168 ( -2.496 0.785 1.050) 2.820 29.708 ( -2.578 -1.314 -2.405) 3.762 29.708 ( -2.578 1.314 -2.405) 3.762 30.159 ( -5.871 -1.312 0.342) 6.026 30.159 ( -5.871 1.312 0.342) 6.026 30.513 ( 0.259 -3.171 -0.334) 3.199 30.513 ( 0.259 3.171 -0.334) 3.199 30.690 ( 2.722 -3.026 0.572) 4.110 30.690 ( 2.722 3.026 0.572) 4.110 31.037 ( 4.003 -4.054 4.321) 7.150 31.037 ( 4.003 4.054 4.321) 7.150 31.378 ( 1.125 -4.423 -0.544) 4.596 31.378 ( 1.125 4.423 -0.544) 4.596 31.640 ( 5.866 -5.434 -6.869) 10.541 31.640 ( 5.866 5.434 -6.869) 10.541 31.885 ( 12.459 -6.948 3.137) 14.606 31.885 ( 12.459 6.948 3.137) 14.606 33.220 ( -0.215 -6.405 -5.823) 8.660 33.220 ( -0.215 6.405 -5.823) 8.660 33.280 ( -1.245 -6.621 6.118) 9.101 33.280 ( -1.245 6.621 6.118) 9.101 ======================= Grid point 189 (85/88) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 3.481 -3.138 4.410) 6.435 1.127 ( 3.481 3.138 4.410) 6.435 1.349 ( -0.604 -3.945 -4.527) 6.035 1.349 ( -0.604 3.945 -4.527) 6.035 1.660 ( 2.078 -3.544 1.984) 4.562 1.660 ( 2.078 3.544 1.984) 4.562 1.752 ( 1.655 -2.701 2.539) 4.060 1.752 ( 1.655 2.701 2.539) 4.060 2.112 ( 0.723 -1.990 -3.091) 3.746 2.112 ( 0.723 1.990 -3.091) 3.746 2.159 ( 5.425 -3.189 -3.018) 6.979 2.159 ( 5.425 3.189 -3.018) 6.979 2.539 ( -0.846 -7.488 0.072) 7.536 2.539 ( -0.846 7.488 0.072) 7.536 2.760 ( 3.213 -4.997 -2.844) 6.586 2.760 ( 3.213 4.997 -2.844) 6.586 3.002 ( 6.930 -6.044 -0.505) 9.210 3.002 ( 6.930 6.044 -0.505) 9.210 3.037 ( 5.811 -1.562 1.916) 6.315 3.037 ( 5.811 1.563 1.916) 6.315 3.385 ( 7.189 -1.824 2.637) 7.872 3.385 ( 7.189 1.824 2.637) 7.872 3.567 ( 3.599 -2.474 -0.711) 4.424 3.567 ( 3.599 2.474 -0.711) 4.424 3.838 ( 5.478 -8.390 -2.528) 10.334 3.838 ( 5.478 8.390 -2.528) 10.334 3.928 ( -3.622 -5.314 4.174) 7.667 3.928 ( -3.622 5.314 4.174) 7.667 4.093 ( 7.022 -2.726 -1.441) 7.669 4.093 ( 7.022 2.726 -1.441) 7.669 4.451 ( 4.430 -3.386 1.131) 5.690 4.451 ( 4.430 3.386 1.131) 5.690 4.642 ( -0.314 -2.710 0.678) 2.811 4.642 ( -0.314 2.710 0.678) 2.811 4.999 ( 0.186 -0.996 -1.354) 1.691 4.999 ( 0.186 0.996 -1.354) 1.691 5.079 ( 5.763 -5.172 -0.666) 7.772 5.079 ( 5.763 5.172 -0.666) 7.772 5.231 ( -4.123 -3.583 -0.739) 5.513 5.231 ( -4.123 3.583 -0.739) 5.513 5.663 ( -1.536 -5.017 -0.614) 5.282 5.663 ( -1.536 5.017 -0.614) 5.282 6.061 ( -1.812 -6.153 -0.021) 6.415 6.061 ( -1.812 6.153 -0.021) 6.415 6.370 ( -5.107 -6.058 5.951) 9.910 6.370 ( -5.107 6.058 5.951) 9.910 6.500 ( 0.951 -6.001 -3.384) 6.955 6.500 ( 0.951 6.001 -3.384) 6.955 7.149 ( -4.392 -3.546 -0.668) 5.684 7.149 ( -4.392 3.546 -0.668) 5.684 7.431 ( -0.570 -5.025 0.547) 5.087 7.431 ( -0.570 5.025 0.547) 5.087 7.763 ( -4.312 -4.024 -1.262) 6.032 7.763 ( -4.312 4.024 -1.262) 6.032 7.925 ( -5.730 -8.677 2.401) 10.672 7.925 ( -5.730 8.677 2.401) 10.672 8.364 ( 3.037 -3.545 -2.082) 5.111 8.364 ( 3.037 3.545 -2.082) 5.111 8.593 ( 1.207 -7.609 1.309) 7.814 8.593 ( 1.207 7.609 1.309) 7.814 9.681 ( -1.900 -2.179 -0.286) 2.905 9.681 ( -1.900 2.179 -0.286) 2.905 9.962 ( -1.864 -6.736 1.121) 7.079 9.962 ( -1.864 6.736 1.121) 7.079 10.132 ( 0.002 -2.229 0.836) 2.380 10.132 ( 0.002 2.229 0.836) 2.380 10.432 ( -0.032 -3.283 -2.348) 4.036 10.432 ( -0.032 3.283 -2.348) 4.036 10.631 ( 1.082 -7.427 -1.875) 7.736 10.631 ( 1.082 7.427 -1.875) 7.736 10.907 ( 1.304 -1.683 1.814) 2.797 10.907 ( 1.304 1.683 1.814) 2.797 12.264 ( 0.212 -5.087 0.377) 5.106 12.264 ( 0.212 5.087 0.377) 5.106 12.385 ( 2.336 -4.503 -0.288) 5.081 12.385 ( 2.336 4.503 -0.288) 5.081 13.855 ( -2.609 -2.005 0.847) 3.398 13.855 ( -2.609 2.005 0.847) 3.398 13.957 ( -1.283 -2.314 -1.340) 2.965 13.957 ( -1.283 2.314 -1.340) 2.965 14.495 ( 1.149 -2.358 1.865) 3.219 14.495 ( 1.149 2.358 1.865) 3.219 15.186 ( -5.061 -3.685 0.010) 6.261 15.186 ( -5.061 3.685 0.010) 6.261 15.537 ( -2.522 -1.854 -0.269) 3.142 15.537 ( -2.522 1.854 -0.269) 3.142 15.554 ( -0.495 -5.509 2.012) 5.885 15.554 ( -0.495 5.509 2.012) 5.885 15.623 ( -1.121 -1.351 -1.381) 2.233 15.623 ( -1.121 1.351 -1.381) 2.233 15.869 ( -0.300 -1.301 0.076) 1.337 15.869 ( -0.300 1.301 0.076) 1.337 16.382 ( 4.427 -6.084 -0.875) 7.575 16.382 ( 4.427 6.084 -0.875) 7.575 16.495 ( 2.261 -6.468 0.867) 6.907 16.495 ( 2.261 6.468 0.867) 6.907 17.568 ( -2.023 -1.797 -1.041) 2.899 17.568 ( -2.023 1.797 -1.041) 2.899 17.730 ( -4.032 -0.762 1.150) 4.262 17.730 ( -4.032 0.762 1.150) 4.262 21.373 ( -0.433 -2.402 -1.664) 2.954 21.373 ( -0.433 2.402 -1.664) 2.954 21.545 ( -4.413 -3.677 0.947) 5.821 21.545 ( -4.413 3.677 0.947) 5.821 26.907 ( -1.571 -0.744 -2.863) 3.350 26.907 ( -1.571 0.744 -2.863) 3.350 27.348 ( -8.198 -1.621 2.924) 8.854 27.348 ( -8.198 1.621 2.924) 8.854 28.848 ( 0.865 -0.698 -0.907) 1.435 28.848 ( 0.865 0.698 -0.907) 1.435 29.119 ( -3.197 -0.904 0.865) 3.433 29.119 ( -3.197 0.904 0.865) 3.433 29.642 ( -2.043 -0.998 -2.341) 3.263 29.642 ( -2.043 0.998 -2.341) 3.263 30.038 ( -7.090 -3.119 0.895) 7.797 30.038 ( -7.090 3.119 0.895) 7.797 30.535 ( 2.066 -2.977 0.094) 3.625 30.535 ( 2.066 2.977 0.094) 3.625 30.741 ( 2.548 -2.798 -0.662) 3.841 30.741 ( 2.548 2.798 -0.662) 3.841 31.132 ( 0.887 -6.962 7.519) 10.286 31.132 ( 0.887 6.962 7.519) 10.286 31.410 ( 2.178 -5.128 -3.321) 6.486 31.410 ( 2.178 5.128 -3.321) 6.486 31.741 ( 9.872 -7.826 -4.446) 13.359 31.741 ( 9.872 7.826 -4.446) 13.359 32.159 ( 13.524 -8.774 1.736) 16.214 32.159 ( 13.524 8.774 1.736) 16.214 33.135 ( -4.140 -4.519 -4.360) 7.521 33.135 ( -4.140 4.519 -4.360) 7.521 33.336 ( 2.488 -6.721 4.340) 8.379 33.336 ( 2.488 6.721 4.340) 8.379 ======================= Grid point 191 (86/88) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 4.745 -0.744 3.568) 5.983 1.243 ( 4.745 0.744 3.568) 5.983 1.335 ( 1.480 -2.355 -1.944) 3.394 1.335 ( 1.480 2.355 -1.944) 3.394 1.703 ( 2.072 -5.132 -0.795) 5.592 1.703 ( 2.072 5.132 -0.795) 5.592 1.795 ( 1.260 -3.375 2.217) 4.230 1.795 ( 1.260 3.375 2.217) 4.230 2.087 ( -0.201 -1.697 -2.973) 3.430 2.087 ( -0.201 1.697 -2.973) 3.430 2.205 ( 1.270 -5.195 -1.566) 5.573 2.205 ( 1.270 5.195 -1.566) 5.573 2.521 ( -0.384 -6.202 1.171) 6.324 2.521 ( -0.384 6.202 1.171) 6.324 2.859 ( 6.925 -5.182 -0.161) 8.651 2.859 ( 6.925 5.182 -0.161) 8.651 3.049 ( 0.096 -7.571 6.054) 9.695 3.049 ( 0.096 7.571 6.054) 9.695 3.210 ( 6.305 -1.437 -1.559) 6.652 3.210 ( 6.305 1.437 -1.559) 6.652 3.502 ( 3.565 -3.605 -0.598) 5.105 3.502 ( 3.565 3.605 -0.598) 5.105 3.689 ( 10.654 -4.569 -1.271) 11.662 3.689 ( 10.654 4.569 -1.271) 11.662 3.881 ( 1.146 -3.483 0.908) 3.777 3.881 ( 1.146 3.483 0.908) 3.777 4.006 ( 7.696 -4.795 3.039) 9.563 4.006 ( 7.696 4.795 3.039) 9.563 4.191 ( 4.715 -2.234 -3.337) 6.193 4.191 ( 4.715 2.234 -3.337) 6.193 4.518 ( 2.146 -4.088 1.977) 5.022 4.518 ( 2.146 4.088 1.977) 5.022 4.665 ( 0.539 -3.337 2.607) 4.269 4.665 ( 0.539 3.337 2.607) 4.269 4.955 ( -2.636 -2.483 -2.208) 4.241 4.955 ( -2.636 2.483 -2.208) 4.241 5.099 ( -5.563 -1.054 -2.091) 6.036 5.099 ( -5.563 1.054 -2.091) 6.036 5.200 ( 5.316 -4.646 -3.403) 7.837 5.200 ( 5.316 4.646 -3.403) 7.837 5.676 ( 2.604 -4.313 1.039) 5.144 5.676 ( 2.604 4.313 1.039) 5.144 6.015 ( -2.996 -7.180 0.804) 7.821 6.015 ( -2.996 7.180 0.804) 7.821 6.315 ( -3.880 -7.147 2.354) 8.466 6.315 ( -3.880 7.147 2.354) 8.466 6.494 ( -0.242 -6.980 0.359) 6.993 6.494 ( -0.242 6.980 0.359) 6.993 7.069 ( -3.973 -3.278 0.244) 5.157 7.069 ( -3.973 3.278 0.244) 5.157 7.422 ( -0.515 -4.979 0.014) 5.006 7.422 ( -0.515 4.979 0.014) 5.006 7.683 ( -3.018 -2.484 -1.233) 4.099 7.683 ( -3.018 2.484 -1.233) 4.099 7.812 ( -6.851 -8.178 -0.088) 10.669 7.812 ( -6.851 8.178 -0.088) 10.669 8.406 ( 3.935 -3.709 -3.683) 6.543 8.406 ( 3.935 3.709 -3.683) 6.543 8.625 ( 0.017 -6.400 3.519) 7.303 8.625 ( 0.017 6.400 3.519) 7.303 9.639 ( -2.685 -1.849 -0.262) 3.271 9.639 ( -2.685 1.849 -0.262) 3.271 9.939 ( -0.799 -5.219 0.279) 5.287 9.939 ( -0.799 5.219 0.279) 5.287 10.170 ( 1.453 -1.831 4.606) 5.165 10.170 ( 1.453 1.831 4.606) 5.165 10.394 ( -1.710 -2.260 -2.471) 3.760 10.394 ( -1.710 2.260 -2.471) 3.760 10.645 ( 1.416 -10.174 -0.917) 10.313 10.645 ( 1.416 10.174 -0.917) 10.313 10.910 ( -0.396 -2.017 -2.622) 3.331 10.910 ( -0.396 2.017 -2.622) 3.331 12.273 ( 0.289 -3.759 0.189) 3.775 12.273 ( 0.289 3.759 0.189) 3.775 12.431 ( 2.514 -3.067 0.340) 3.980 12.431 ( 2.514 3.067 0.340) 3.980 13.821 ( -1.640 -2.080 0.818) 2.772 13.821 ( -1.640 2.080 0.818) 2.772 13.933 ( -0.457 -2.828 -0.909) 3.005 13.933 ( -0.457 2.828 -0.909) 3.005 14.545 ( 2.758 -1.848 1.684) 3.723 14.545 ( 2.758 1.848 1.684) 3.723 15.081 ( -6.014 -2.979 -0.327) 6.719 15.081 ( -6.014 2.979 -0.327) 6.719 15.481 ( -1.844 -2.665 -1.187) 3.451 15.481 ( -1.844 2.665 -1.187) 3.451 15.567 ( 0.561 -4.531 -1.302) 4.748 15.567 ( 0.561 4.531 -1.302) 4.748 15.616 ( 0.739 -1.860 1.765) 2.669 15.616 ( 0.739 1.860 1.765) 2.669 15.852 ( -1.800 -0.824 0.446) 2.029 15.852 ( -1.800 0.824 0.446) 2.029 16.439 ( 2.293 -4.862 -0.288) 5.383 16.439 ( 2.293 4.862 -0.288) 5.383 16.539 ( 1.366 -6.821 0.534) 6.977 16.539 ( 1.366 6.821 0.534) 6.977 17.531 ( -0.984 -2.195 -0.961) 2.591 17.531 ( -0.984 2.195 -0.961) 2.591 17.657 ( -4.124 -0.630 0.563) 4.210 17.657 ( -4.124 0.630 0.563) 4.210 21.355 ( -0.257 -3.537 -1.023) 3.690 21.355 ( -0.257 3.537 -1.023) 3.690 21.479 ( -3.226 -4.689 0.692) 5.734 21.479 ( -3.226 4.689 0.692) 5.734 26.874 ( -0.549 -0.715 0.233) 0.931 26.874 ( -0.549 0.715 0.233) 0.931 27.216 ( -6.739 -0.070 -0.373) 6.750 27.216 ( -6.739 0.070 -0.373) 6.750 28.862 ( 1.173 -0.809 -0.579) 1.538 28.862 ( 1.173 0.809 -0.579) 1.538 29.069 ( -2.511 -0.877 0.335) 2.681 29.069 ( -2.511 0.877 0.335) 2.681 29.603 ( -0.866 -0.975 -0.577) 1.427 29.603 ( -0.866 0.975 -0.577) 1.427 29.914 ( -6.578 -3.466 0.619) 7.461 29.914 ( -6.578 3.466 0.619) 7.461 30.586 ( 3.011 -3.091 0.257) 4.323 30.586 ( 3.011 3.091 0.257) 4.323 30.767 ( 1.112 -2.947 -1.664) 3.563 30.767 ( 1.112 2.947 -1.664) 3.563 31.200 ( 0.247 -7.092 7.939) 10.648 31.200 ( 0.247 7.092 7.939) 10.648 31.381 ( -0.984 -2.552 -5.760) 6.377 31.381 ( -0.984 2.552 -5.760) 6.377 31.919 ( 9.713 -10.627 0.086) 14.397 31.919 ( 9.713 10.627 0.086) 14.397 32.395 ( 10.280 -9.224 0.788) 13.834 32.395 ( 10.280 9.224 0.788) 13.834 33.014 ( -4.811 -3.312 -4.139) 7.159 33.014 ( -4.811 3.312 -4.139) 7.159 33.421 ( 3.057 -6.709 2.832) 7.898 33.421 ( 3.057 6.709 2.832) 7.898 ======================= Grid point 193 (87/88) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 2.765 -1.029 0.126) 2.953 1.334 ( 2.765 1.029 0.126) 2.953 1.355 ( 0.599 -2.564 1.681) 3.124 1.355 ( 0.599 2.564 1.681) 3.124 1.730 ( 2.245 -4.444 -2.525) 5.583 1.730 ( 2.245 4.444 -2.525) 5.583 1.836 ( 1.162 -3.063 2.142) 3.914 1.836 ( 1.162 3.063 2.142) 3.914 2.075 ( 1.262 -4.263 -2.216) 4.968 2.075 ( 1.262 4.263 -2.216) 4.968 2.186 ( -2.680 -7.141 0.651) 7.655 2.186 ( -2.680 7.141 0.651) 7.655 2.571 ( 3.858 -4.714 2.873) 6.735 2.571 ( 3.858 4.714 2.873) 6.735 2.958 ( 2.948 -3.718 0.304) 4.754 2.958 ( 2.948 3.718 0.304) 4.754 3.107 ( 1.133 -5.289 3.674) 6.538 3.107 ( 1.133 5.289 3.674) 6.538 3.222 ( -1.989 -2.033 -1.821) 3.377 3.222 ( -1.989 2.033 -1.821) 3.377 3.539 ( 1.548 -3.035 -1.095) 3.578 3.539 ( 1.549 3.035 -1.095) 3.578 3.873 ( 4.939 -2.024 5.978) 8.015 3.873 ( 4.939 2.024 5.978) 8.015 3.961 ( 8.655 -3.282 -3.166) 9.783 3.961 ( 8.655 3.282 -3.166) 9.783 4.158 ( 3.475 -6.129 -3.382) 7.815 4.158 ( 3.475 6.129 -3.382) 7.815 4.230 ( 4.571 -4.105 -0.559) 6.169 4.230 ( 4.571 4.105 -0.559) 6.169 4.573 ( 1.105 -3.844 3.035) 5.021 4.573 ( 1.105 3.844 3.035) 5.021 4.694 ( 0.348 -7.245 1.752) 7.462 4.694 ( 0.348 7.245 1.752) 7.462 4.850 ( -7.172 -4.780 3.004) 9.127 4.850 ( -7.172 4.780 3.004) 9.127 5.005 ( -0.526 -3.928 -6.130) 7.299 5.005 ( -0.526 3.928 -6.130) 7.299 5.248 ( 2.270 -3.406 -3.459) 5.359 5.248 ( 2.270 3.406 -3.459) 5.359 5.759 ( 4.693 -4.617 0.984) 6.656 5.759 ( 4.693 4.617 0.984) 6.656 5.964 ( -3.312 -7.020 1.106) 7.840 5.964 ( -3.312 7.020 1.106) 7.840 6.272 ( -1.723 -3.603 0.378) 4.011 6.272 ( -1.723 3.603 0.378) 4.011 6.491 ( -0.864 -4.450 1.459) 4.762 6.491 ( -0.864 4.450 1.459) 4.762 7.012 ( -2.271 -1.251 0.661) 2.676 7.012 ( -2.271 1.251 0.661) 2.676 7.415 ( 0.046 -5.295 -0.684) 5.339 7.415 ( 0.046 5.295 -0.684) 5.339 7.627 ( -2.073 -5.263 -1.110) 5.765 7.627 ( -2.073 5.263 -1.110) 5.765 7.694 ( -4.684 -7.565 -0.412) 8.907 7.694 ( -4.684 7.565 -0.412) 8.907 8.455 ( 3.722 -1.991 -2.987) 5.171 8.455 ( 3.722 1.991 -2.987) 5.171 8.640 ( -1.258 -3.536 3.349) 5.031 8.640 ( -1.258 3.536 3.349) 5.031 9.580 ( -2.551 -2.124 -0.954) 3.454 9.580 ( -2.551 2.124 -0.954) 3.454 9.937 ( 0.279 -2.840 -0.063) 2.854 9.937 ( 0.279 2.840 -0.063) 2.854 10.241 ( 1.270 -3.880 5.754) 7.055 10.241 ( 1.270 3.880 5.754) 7.055 10.345 ( -1.185 -3.047 -2.241) 3.964 10.345 ( -1.185 3.047 -2.241) 3.964 10.665 ( 0.983 -9.202 0.016) 9.254 10.665 ( 0.983 9.202 0.016) 9.254 10.868 ( -0.940 -3.488 -3.825) 5.261 10.868 ( -0.940 3.488 -3.825) 5.261 12.276 ( 0.095 -2.015 -0.232) 2.031 12.276 ( 0.095 2.015 -0.232) 2.031 12.476 ( 1.658 -1.651 0.601) 2.416 12.476 ( 1.658 1.651 0.601) 2.416 13.805 ( -0.653 -1.434 0.542) 1.666 13.805 ( -0.653 1.434 0.542) 1.666 13.922 ( -0.156 -1.908 -0.458) 1.969 13.922 ( -0.156 1.908 -0.458) 1.969 14.619 ( 3.697 -1.154 0.871) 3.969 14.619 ( 3.697 1.154 0.871) 3.969 14.966 ( -5.548 -1.953 -0.029) 5.882 14.966 ( -5.548 1.953 -0.029) 5.882 15.449 ( -0.485 -1.542 -1.812) 2.429 15.449 ( -0.485 1.542 -1.812) 2.429 15.565 ( 0.408 -2.577 -1.056) 2.814 15.565 ( 0.408 2.577 -1.056) 2.814 15.667 ( 2.674 -2.919 2.075) 4.469 15.667 ( 2.674 2.919 2.075) 4.469 15.809 ( -3.014 -1.481 0.188) 3.364 15.809 ( -3.014 1.481 0.188) 3.364 16.475 ( 1.648 -4.059 0.455) 4.404 16.475 ( 1.648 4.059 0.455) 4.404 16.546 ( -0.588 -5.520 -0.268) 5.558 16.546 ( -0.588 5.520 -0.268) 5.558 17.520 ( 0.369 -1.776 -0.112) 1.818 17.520 ( 0.369 1.776 -0.112) 1.818 17.591 ( -3.041 -0.422 -0.138) 3.073 17.591 ( -3.041 0.422 -0.138) 3.073 21.348 ( 0.016 -3.081 -0.190) 3.087 21.348 ( 0.016 3.081 -0.190) 3.087 21.435 ( -1.733 -3.739 0.111) 4.123 21.435 ( -1.733 3.739 0.111) 4.123 26.893 ( 1.068 -0.280 3.021) 3.216 26.893 ( 1.068 0.280 3.021) 3.216 27.093 ( -4.677 -0.678 -3.150) 5.679 27.093 ( -4.677 0.678 -3.150) 5.679 28.881 ( 1.046 -0.617 -0.157) 1.224 28.881 ( 1.046 0.617 -0.157) 1.224 29.032 ( -1.547 -0.635 -0.054) 1.673 29.032 ( -1.547 0.635 -0.054) 1.673 29.601 ( 0.454 -0.426 0.774) 0.993 29.601 ( 0.454 0.426 0.774) 0.993 29.806 ( -4.800 -2.405 -0.236) 5.374 29.806 ( -4.800 2.405 -0.236) 5.374 30.648 ( 3.074 -2.865 0.613) 4.247 30.648 ( 3.074 2.865 0.613) 4.247 30.757 ( -0.675 -1.640 -1.754) 2.494 30.757 ( -0.675 1.640 -1.754) 2.494 31.258 ( -0.293 -4.693 6.331) 7.887 31.258 ( -0.293 4.693 6.331) 7.887 31.313 ( -0.961 -1.689 -5.109) 5.467 31.313 ( -0.961 1.689 -5.109) 5.467 32.073 ( 5.615 -8.049 1.347) 9.906 32.073 ( 5.615 8.049 1.347) 9.906 32.548 ( 5.535 -6.697 0.053) 8.689 32.548 ( 5.535 6.697 0.053) 8.689 32.909 ( -3.128 -1.950 -2.751) 4.599 32.909 ( -3.128 1.950 -2.751) 4.599 33.482 ( 1.715 -4.276 1.205) 4.762 33.482 ( 1.715 4.276 1.205) 4.762 ======================= Grid point 195 (88/88) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.000 0.000 -0.000) 0.000 1.350 ( 0.000 0.000 -0.000) 0.000 1.376 ( 0.000 0.000 0.000) 0.000 1.376 ( 0.000 0.000 0.000) 0.000 1.745 ( 0.000 0.000 -0.000) 0.000 1.745 ( 0.000 0.000 -0.000) 0.000 1.856 ( 0.000 -0.000 -0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 2.095 ( -0.000 -0.000 0.000) 0.000 2.095 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 -0.000 -0.000) 0.000 2.142 ( 0.000 0.000 -0.000) 0.000 2.643 ( 0.000 0.000 -0.000) 0.000 2.643 ( 0.000 0.000 -0.000) 0.000 2.980 ( 0.000 0.000 -0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.121 ( 0.000 -0.000 0.000) 0.000 3.121 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 -0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 -0.000) 0.000 3.549 ( 0.000 0.000 -0.000) 0.000 3.951 ( -0.000 0.000 -0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 4.070 ( -0.000 -0.000 -0.000) 0.000 4.070 ( 0.000 -0.000 0.000) 0.000 4.122 ( -0.000 0.000 -0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 -0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.617 ( -0.000 0.000 -0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.639 ( -0.000 0.000 -0.000) 0.000 4.639 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 0.000 -0.000) 0.000 4.840 ( 0.000 0.000 0.000) 0.000 4.964 ( -0.000 -0.000 -0.000) 0.000 4.964 ( 0.000 0.000 0.000) 0.000 5.250 ( 0.000 0.000 -0.000) 0.000 5.250 ( 0.000 0.000 0.000) 0.000 5.826 ( 0.000 0.000 -0.000) 0.000 5.826 ( 0.000 0.000 -0.000) 0.000 5.922 ( 0.000 0.000 -0.000) 0.000 5.922 ( -0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 -0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.488 ( 0.000 0.000 -0.000) 0.000 6.488 ( 0.000 0.000 0.000) 0.000 6.994 ( 0.000 0.000 0.000) 0.000 6.994 ( 0.000 0.000 0.000) 0.000 7.413 ( 0.000 0.000 -0.000) 0.000 7.413 ( 0.000 0.000 -0.000) 0.000 7.598 ( 0.000 0.000 -0.000) 0.000 7.598 ( 0.000 0.000 -0.000) 0.000 7.649 ( 0.000 -0.000 -0.000) 0.000 7.649 ( 0.000 0.000 -0.000) 0.000 8.483 ( 0.000 0.000 0.000) 0.000 8.483 ( 0.000 0.000 0.000) 0.000 8.638 ( 0.000 0.000 -0.000) 0.000 8.638 ( 0.000 0.000 -0.000) 0.000 9.549 ( 0.000 0.000 -0.000) 0.000 9.549 ( 0.000 0.000 0.000) 0.000 9.941 ( 0.000 0.000 -0.000) 0.000 9.941 ( 0.000 0.000 -0.000) 0.000 10.280 ( 0.000 0.000 -0.000) 0.000 10.280 ( 0.000 0.000 0.000) 0.000 10.324 ( 0.000 0.000 -0.000) 0.000 10.324 ( 0.000 0.000 -0.000) 0.000 10.676 ( 0.000 0.000 -0.000) 0.000 10.676 ( 0.000 0.000 0.000) 0.000 10.839 ( 0.000 0.000 -0.000) 0.000 10.839 ( 0.000 0.000 0.000) 0.000 12.276 ( 0.000 0.000 -0.000) 0.000 12.276 ( 0.000 0.000 0.000) 0.000 12.495 ( 0.000 0.000 -0.000) 0.000 12.495 ( 0.000 0.000 0.000) 0.000 13.801 ( 0.000 -0.000 -0.000) 0.000 13.801 ( 0.000 0.000 -0.000) 0.000 13.919 ( 0.000 0.000 -0.000) 0.000 13.919 ( 0.000 0.000 0.000) 0.000 14.668 ( 0.000 0.000 -0.000) 0.000 14.668 ( 0.000 0.000 0.000) 0.000 14.904 ( 0.000 0.000 -0.000) 0.000 14.904 ( 0.000 0.000 -0.000) 0.000 15.437 ( 0.000 0.000 -0.000) 0.000 15.437 ( 0.000 0.000 0.000) 0.000 15.565 ( 0.000 0.000 -0.000) 0.000 15.565 ( 0.000 0.000 0.000) 0.000 15.726 ( 0.000 0.000 -0.000) 0.000 15.726 ( 0.000 0.000 0.000) 0.000 15.756 ( -0.000 -0.000 -0.000) 0.000 15.756 ( 0.000 0.000 0.000) 0.000 16.502 ( 0.000 -0.000 0.000) 0.000 16.502 ( 0.000 -0.000 -0.000) 0.000 16.528 ( 0.000 0.000 0.000) 0.000 16.528 ( 0.000 0.000 -0.000) 0.000 17.539 ( -0.000 -0.000 -0.000) 0.000 17.539 ( 0.000 0.000 0.000) 0.000 17.546 ( -0.000 0.000 -0.000) 0.000 17.546 ( 0.000 0.000 0.000) 0.000 21.349 ( 0.000 -0.000 -0.000) 0.000 21.349 ( 0.000 0.000 0.000) 0.000 21.418 ( 0.000 0.000 -0.000) 0.000 21.418 ( 0.000 0.000 0.000) 0.000 26.935 ( 0.000 0.000 -0.000) 0.000 26.935 ( 0.000 0.000 -0.000) 0.000 27.017 ( 0.000 0.000 0.000) 0.000 27.017 ( 0.000 0.000 0.000) 0.000 28.892 ( 0.000 0.000 -0.000) 0.000 28.892 ( 0.000 0.000 0.000) 0.000 29.016 ( 0.000 0.000 -0.000) 0.000 29.016 ( 0.000 0.000 0.000) 0.000 29.616 ( 0.000 0.000 -0.000) 0.000 29.616 ( 0.000 0.000 -0.000) 0.000 29.752 ( 0.000 0.000 -0.000) 0.000 29.752 ( 0.000 0.000 0.000) 0.000 30.695 ( 0.000 0.000 -0.000) 0.000 30.695 ( 0.000 -0.000 0.000) 0.000 30.729 ( -0.000 -0.000 -0.000) 0.000 30.729 ( -0.000 0.000 0.000) 0.000 31.270 ( 0.000 0.000 -0.000) 0.000 31.270 ( 0.000 0.000 0.000) 0.000 31.293 ( 0.000 -0.000 -0.000) 0.000 31.293 ( 0.000 0.000 0.000) 0.000 32.134 ( 0.000 0.000 -0.000) 0.000 32.134 ( 0.000 0.000 -0.000) 0.000 32.600 ( 0.000 -0.000 -0.000) 0.000 32.600 ( 0.000 0.000 0.000) 0.000 32.867 ( 0.000 0.000 -0.000) 0.000 32.867 ( 0.000 0.000 0.000) 0.000 33.503 ( 0.000 0.000 0.000) 0.000 33.503 ( 0.000 0.000 0.000) 0.000 =================== 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 3/31680 10.0 72.750 64.412 77.613 0.000 -4.309 0.000 3/31680 20.0 15.392 12.351 13.747 0.000 -0.593 0.000 3/31680 30.0 7.165 5.855 6.230 0.000 -0.297 0.000 3/31680 40.0 4.563 3.769 3.935 0.000 -0.196 0.000 3/31680 50.0 3.369 2.798 2.902 0.000 -0.150 0.000 3/31680 60.0 2.689 2.244 2.323 0.000 -0.127 0.000 3/31680 70.0 2.249 1.885 1.951 0.000 -0.112 0.000 3/31680 80.0 1.938 1.634 1.689 0.000 -0.103 0.000 3/31680 90.0 1.706 1.448 1.493 0.000 -0.095 0.000 3/31680 100.0 1.526 1.304 1.341 0.000 -0.088 0.000 3/31680 110.0 1.381 1.189 1.218 0.000 -0.083 0.000 3/31680 120.0 1.264 1.095 1.117 0.000 -0.077 0.000 3/31680 130.0 1.166 1.016 1.032 0.000 -0.073 0.000 3/31680 140.0 1.082 0.949 0.960 0.000 -0.069 0.000 3/31680 150.0 1.011 0.892 0.898 0.000 -0.065 0.000 3/31680 160.0 0.950 0.841 0.843 0.000 -0.061 0.000 3/31680 170.0 0.896 0.797 0.796 0.000 -0.058 0.000 3/31680 180.0 0.848 0.757 0.753 0.000 -0.055 0.000 3/31680 190.0 0.806 0.722 0.715 0.000 -0.053 0.000 3/31680 200.0 0.768 0.690 0.681 0.000 -0.050 0.000 3/31680 210.0 0.735 0.661 0.650 0.000 -0.048 0.000 3/31680 220.0 0.704 0.635 0.622 0.000 -0.046 0.000 3/31680 230.0 0.676 0.611 0.597 0.000 -0.044 0.000 3/31680 240.0 0.650 0.589 0.574 0.000 -0.042 0.000 3/31680 250.0 0.627 0.569 0.552 0.000 -0.041 0.000 3/31680 260.0 0.606 0.550 0.533 0.000 -0.039 0.000 3/31680 270.0 0.586 0.532 0.514 0.000 -0.038 0.000 3/31680 280.0 0.567 0.516 0.497 0.000 -0.036 0.000 3/31680 290.0 0.550 0.501 0.482 0.000 -0.035 0.000 3/31680 300.0 0.534 0.487 0.467 0.000 -0.034 0.000 3/31680 310.0 0.519 0.474 0.453 0.000 -0.033 0.000 3/31680 320.0 0.505 0.461 0.440 0.000 -0.032 0.000 3/31680 330.0 0.492 0.449 0.428 0.000 -0.031 0.000 3/31680 340.0 0.479 0.438 0.417 0.000 -0.030 0.000 3/31680 350.0 0.468 0.428 0.406 0.000 -0.029 0.000 3/31680 360.0 0.456 0.418 0.396 0.000 -0.029 0.000 3/31680 370.0 0.446 0.408 0.386 0.000 -0.028 0.000 3/31680 380.0 0.436 0.399 0.377 0.000 -0.027 0.000 3/31680 390.0 0.426 0.391 0.368 0.000 -0.027 0.000 3/31680 400.0 0.417 0.382 0.360 0.000 -0.026 0.000 3/31680 410.0 0.408 0.375 0.352 0.000 -0.025 0.000 3/31680 420.0 0.400 0.367 0.344 0.000 -0.025 0.000 3/31680 430.0 0.392 0.360 0.337 0.000 -0.024 0.000 3/31680 440.0 0.384 0.353 0.330 0.000 -0.024 0.000 3/31680 450.0 0.377 0.346 0.323 0.000 -0.023 0.000 3/31680 460.0 0.370 0.340 0.317 0.000 -0.023 0.000 3/31680 470.0 0.363 0.334 0.311 0.000 -0.022 0.000 3/31680 480.0 0.356 0.328 0.305 0.000 -0.022 0.000 3/31680 490.0 0.350 0.322 0.299 0.000 -0.021 0.000 3/31680 500.0 0.344 0.317 0.294 0.000 -0.021 0.000 3/31680 510.0 0.338 0.311 0.289 0.000 -0.021 0.000 3/31680 520.0 0.332 0.306 0.284 0.000 -0.020 0.000 3/31680 530.0 0.327 0.301 0.279 0.000 -0.020 0.000 3/31680 540.0 0.322 0.296 0.274 0.000 -0.020 0.000 3/31680 550.0 0.316 0.292 0.269 0.000 -0.019 0.000 3/31680 560.0 0.311 0.287 0.265 0.000 -0.019 0.000 3/31680 570.0 0.307 0.283 0.261 0.000 -0.019 0.000 3/31680 580.0 0.302 0.278 0.257 0.000 -0.018 0.000 3/31680 590.0 0.297 0.274 0.253 0.000 -0.018 0.000 3/31680 600.0 0.293 0.270 0.249 0.000 -0.018 0.000 3/31680 610.0 0.289 0.266 0.245 0.000 -0.018 0.000 3/31680 620.0 0.285 0.263 0.241 0.000 -0.017 0.000 3/31680 630.0 0.280 0.259 0.238 0.000 -0.017 0.000 3/31680 640.0 0.277 0.255 0.234 0.000 -0.017 0.000 3/31680 650.0 0.273 0.252 0.231 0.000 -0.017 0.000 3/31680 660.0 0.269 0.249 0.228 0.000 -0.016 0.000 3/31680 670.0 0.265 0.245 0.225 0.000 -0.016 0.000 3/31680 680.0 0.262 0.242 0.222 0.000 -0.016 0.000 3/31680 690.0 0.258 0.239 0.219 0.000 -0.016 0.000 3/31680 700.0 0.255 0.236 0.216 0.000 -0.015 0.000 3/31680 710.0 0.252 0.233 0.213 0.000 -0.015 0.000 3/31680 720.0 0.249 0.230 0.210 0.000 -0.015 0.000 3/31680 730.0 0.246 0.227 0.207 0.000 -0.015 0.000 3/31680 740.0 0.242 0.224 0.205 0.000 -0.015 0.000 3/31680 750.0 0.240 0.222 0.202 0.000 -0.014 0.000 3/31680 760.0 0.237 0.219 0.200 0.000 -0.014 0.000 3/31680 770.0 0.234 0.216 0.197 0.000 -0.014 0.000 3/31680 780.0 0.231 0.214 0.195 0.000 -0.014 0.000 3/31680 790.0 0.228 0.211 0.193 0.000 -0.014 0.000 3/31680 800.0 0.226 0.209 0.190 0.000 -0.014 0.000 3/31680 810.0 0.223 0.207 0.188 0.000 -0.013 0.000 3/31680 820.0 0.221 0.204 0.186 0.000 -0.013 0.000 3/31680 830.0 0.218 0.202 0.184 0.000 -0.013 0.000 3/31680 840.0 0.216 0.200 0.182 0.000 -0.013 0.000 3/31680 850.0 0.213 0.198 0.180 0.000 -0.013 0.000 3/31680 860.0 0.211 0.196 0.178 0.000 -0.013 0.000 3/31680 870.0 0.209 0.193 0.176 0.000 -0.013 0.000 3/31680 880.0 0.207 0.191 0.174 0.000 -0.012 0.000 3/31680 890.0 0.204 0.189 0.172 0.000 -0.012 0.000 3/31680 900.0 0.202 0.188 0.170 0.000 -0.012 0.000 3/31680 910.0 0.200 0.186 0.168 0.000 -0.012 0.000 3/31680 920.0 0.198 0.184 0.167 0.000 -0.012 0.000 3/31680 930.0 0.196 0.182 0.165 0.000 -0.012 0.000 3/31680 940.0 0.194 0.180 0.163 0.000 -0.012 0.000 3/31680 950.0 0.192 0.178 0.162 0.000 -0.012 0.000 3/31680 960.0 0.190 0.177 0.160 0.000 -0.011 0.000 3/31680 970.0 0.189 0.175 0.159 0.000 -0.011 0.000 3/31680 980.0 0.187 0.173 0.157 0.000 -0.011 0.000 3/31680 990.0 0.185 0.172 0.155 0.000 -0.011 0.000 3/31680 1000.0 0.183 0.170 0.154 0.000 -0.011 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m1064.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:33:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|