----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:27:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.815240210000000 -2.750685235000000 0.000000000000000 b 7.815240210000000 2.750685235000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.344005320000000 Atomic positions (fractional): *1 O 0.24529090700323 0.25737895294742 0.53788558444348 15.999 2 O 0.75470909299677 0.74262104705258 0.03788558444348 15.999 3 O 0.25737895294742 0.24529090700323 0.03788558444348 15.999 4 O 0.74262104705258 0.75470909299677 0.53788558444348 15.999 *5 O 0.07640186516884 0.72826469185244 0.35162894398543 15.999 6 O 0.92359813483116 0.27173530814756 0.85162894398543 15.999 *7 O 0.59646972603549 0.40353027396451 0.46968497391778 15.999 8 O 0.40353027396451 0.59646972603549 0.96968497391778 15.999 9 O 0.27173530814756 0.92359813483116 0.35162894398543 15.999 10 O 0.72826469185244 0.07640186516884 0.85162894398543 15.999 *11 Ge 0.31388107345768 0.68611892654232 0.29529635319337 72.640 12 Ge 0.68611892654232 0.31388107345768 0.79529635319337 72.640 *13 Bi 0.05581745155264 0.60790477732437 0.77227979801552 208.980 14 Bi 0.94418254844736 0.39209522267563 0.27227979801551 208.980 15 Bi 0.60790477732437 0.05581745155264 0.27227979801551 208.980 16 Bi 0.39209522267563 0.94418254844736 0.77227979801552 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.630480420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.501370470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.344005320000000 Atomic positions (fractional): *1 O 0.25133492997532 0.00604402297209 0.53788558444348 15.999 > 1 2 O 0.24866507002468 0.49395597702791 0.03788558444348 15.999 > 2 3 O 0.25133492997532 0.99395597702790 0.03788558444348 15.999 > 3 4 O 0.24866507002468 0.50604402297210 0.53788558444348 15.999 > 4 *5 O 0.40233327851064 0.32593141334180 0.35162894398543 15.999 > 5 6 O 0.09766672148936 0.17406858665820 0.85162894398543 15.999 > 6 *7 O 0.00000000000000 0.40353027396451 0.46968497391778 15.999 > 7 8 O 0.00000000000000 0.59646972603549 0.96968497391778 15.999 > 8 9 O 0.09766672148936 0.82593141334180 0.35162894398543 15.999 > 9 10 O 0.40233327851064 0.67406858665820 0.85162894398543 15.999 > 10 11 O 0.75133492997532 0.50604402297210 0.53788558444348 15.999 > 1 12 O 0.74866507002468 0.99395597702790 0.03788558444348 15.999 > 2 13 O 0.75133492997532 0.49395597702791 0.03788558444348 15.999 > 3 14 O 0.74866507002468 0.00604402297209 0.53788558444348 15.999 > 4 15 O 0.90233327851064 0.82593141334180 0.35162894398543 15.999 > 5 16 O 0.59766672148936 0.67406858665820 0.85162894398543 15.999 > 6 17 O 0.50000000000000 0.90353027396451 0.46968497391778 15.999 > 7 18 O 0.50000000000000 0.09646972603549 0.96968497391778 15.999 > 8 19 O 0.59766672148936 0.32593141334180 0.35162894398543 15.999 > 9 20 O 0.90233327851064 0.17406858665820 0.85162894398543 15.999 > 10 *21 Ge 0.00000000000000 0.68611892654232 0.29529635319337 72.640 > 11 22 Ge 0.00000000000000 0.31388107345768 0.79529635319337 72.640 > 12 23 Ge 0.50000000000000 0.18611892654232 0.29529635319337 72.640 > 11 24 Ge 0.50000000000000 0.81388107345768 0.79529635319337 72.640 > 12 *25 Bi 0.33186111443850 0.27604366288587 0.77227979801552 208.980 > 13 26 Bi 0.16813888556150 0.22395633711413 0.27227979801551 208.980 > 14 27 Bi 0.33186111443850 0.72395633711413 0.27227979801551 208.980 > 15 28 Bi 0.16813888556150 0.77604366288587 0.77227979801552 208.980 > 16 29 Bi 0.83186111443850 0.77604366288587 0.77227979801552 208.980 > 13 30 Bi 0.66813888556150 0.72395633711413 0.27227979801551 208.980 > 14 31 Bi 0.83186111443850 0.22395633711413 0.27227979801551 208.980 > 15 32 Bi 0.66813888556150 0.27604366288587 0.77227979801552 208.980 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.630480420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.002740940000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.688010640000000 Atomic positions (fractional): *1 O 0.25133492997532 0.00302201148605 0.26894279222174 15.999 > 1 2 O 0.25133492997532 0.50302201148605 0.26894279222174 15.999 > 1 3 O 0.25133492997532 0.00302201148605 0.76894279222174 15.999 > 1 4 O 0.25133492997532 0.50302201148605 0.76894279222174 15.999 > 1 5 O 0.24866507002468 0.24697798851395 0.01894279222174 15.999 > 2 6 O 0.24866507002468 0.74697798851395 0.01894279222174 15.999 > 2 7 O 0.24866507002468 0.24697798851395 0.51894279222174 15.999 > 2 8 O 0.24866507002468 0.74697798851395 0.51894279222174 15.999 > 2 9 O 0.25133492997532 0.49697798851395 0.01894279222174 15.999 > 3 10 O 0.25133492997532 0.99697798851395 0.01894279222174 15.999 > 3 11 O 0.25133492997532 0.49697798851395 0.51894279222174 15.999 > 3 12 O 0.25133492997532 0.99697798851395 0.51894279222174 15.999 > 3 13 O 0.24866507002468 0.25302201148605 0.26894279222174 15.999 > 4 14 O 0.24866507002468 0.75302201148605 0.26894279222174 15.999 > 4 15 O 0.24866507002468 0.25302201148605 0.76894279222174 15.999 > 4 16 O 0.24866507002468 0.75302201148605 0.76894279222174 15.999 > 4 *17 O 0.40233327851064 0.16296570667090 0.17581447199271 15.999 > 5 18 O 0.40233327851064 0.66296570667090 0.17581447199271 15.999 > 5 19 O 0.40233327851064 0.16296570667090 0.67581447199271 15.999 > 5 20 O 0.40233327851064 0.66296570667090 0.67581447199271 15.999 > 5 21 O 0.09766672148936 0.08703429332910 0.42581447199271 15.999 > 6 22 O 0.09766672148936 0.58703429332910 0.42581447199271 15.999 > 6 23 O 0.09766672148936 0.08703429332910 0.92581447199271 15.999 > 6 24 O 0.09766672148936 0.58703429332910 0.92581447199271 15.999 > 6 *25 O 0.00000000000000 0.20176513698226 0.23484248695889 15.999 > 7 26 O 0.00000000000000 0.70176513698226 0.23484248695889 15.999 > 7 27 O 0.00000000000000 0.20176513698226 0.73484248695889 15.999 > 7 28 O 0.00000000000000 0.70176513698226 0.73484248695889 15.999 > 7 29 O 0.00000000000000 0.29823486301774 0.48484248695889 15.999 > 8 30 O 0.00000000000000 0.79823486301774 0.48484248695889 15.999 > 8 31 O 0.00000000000000 0.29823486301774 0.98484248695889 15.999 > 8 32 O 0.00000000000000 0.79823486301774 0.98484248695889 15.999 > 8 33 O 0.09766672148936 0.41296570667090 0.17581447199271 15.999 > 9 34 O 0.09766672148936 0.91296570667090 0.17581447199271 15.999 > 9 35 O 0.09766672148936 0.41296570667090 0.67581447199271 15.999 > 9 36 O 0.09766672148936 0.91296570667090 0.67581447199271 15.999 > 9 37 O 0.40233327851064 0.33703429332910 0.42581447199271 15.999 > 10 38 O 0.40233327851064 0.83703429332910 0.42581447199271 15.999 > 10 39 O 0.40233327851064 0.33703429332910 0.92581447199271 15.999 > 10 40 O 0.40233327851064 0.83703429332910 0.92581447199271 15.999 > 10 41 O 0.75133492997532 0.25302201148605 0.26894279222174 15.999 > 1 42 O 0.75133492997532 0.75302201148605 0.26894279222174 15.999 > 1 43 O 0.75133492997532 0.25302201148605 0.76894279222174 15.999 > 1 44 O 0.75133492997532 0.75302201148605 0.76894279222174 15.999 > 1 45 O 0.74866507002468 0.49697798851395 0.01894279222174 15.999 > 2 46 O 0.74866507002468 0.99697798851395 0.01894279222174 15.999 > 2 47 O 0.74866507002468 0.49697798851395 0.51894279222174 15.999 > 2 48 O 0.74866507002468 0.99697798851395 0.51894279222174 15.999 > 2 49 O 0.75133492997532 0.24697798851395 0.01894279222174 15.999 > 3 50 O 0.75133492997532 0.74697798851395 0.01894279222174 15.999 > 3 51 O 0.75133492997532 0.24697798851395 0.51894279222174 15.999 > 3 52 O 0.75133492997532 0.74697798851395 0.51894279222174 15.999 > 3 53 O 0.74866507002468 0.00302201148605 0.26894279222174 15.999 > 4 54 O 0.74866507002468 0.50302201148605 0.26894279222174 15.999 > 4 55 O 0.74866507002468 0.00302201148605 0.76894279222174 15.999 > 4 56 O 0.74866507002468 0.50302201148605 0.76894279222174 15.999 > 4 57 O 0.90233327851064 0.41296570667090 0.17581447199271 15.999 > 5 58 O 0.90233327851064 0.91296570667090 0.17581447199271 15.999 > 5 59 O 0.90233327851064 0.41296570667090 0.67581447199271 15.999 > 5 60 O 0.90233327851064 0.91296570667090 0.67581447199271 15.999 > 5 61 O 0.59766672148936 0.33703429332910 0.42581447199271 15.999 > 6 62 O 0.59766672148936 0.83703429332910 0.42581447199271 15.999 > 6 63 O 0.59766672148936 0.33703429332910 0.92581447199271 15.999 > 6 64 O 0.59766672148936 0.83703429332910 0.92581447199271 15.999 > 6 65 O 0.50000000000000 0.45176513698226 0.23484248695889 15.999 > 7 66 O 0.50000000000000 0.95176513698226 0.23484248695889 15.999 > 7 67 O 0.50000000000000 0.45176513698226 0.73484248695889 15.999 > 7 68 O 0.50000000000000 0.95176513698226 0.73484248695889 15.999 > 7 69 O 0.50000000000000 0.04823486301775 0.48484248695889 15.999 > 8 70 O 0.50000000000000 0.54823486301775 0.48484248695889 15.999 > 8 71 O 0.50000000000000 0.04823486301775 0.98484248695889 15.999 > 8 72 O 0.50000000000000 0.54823486301775 0.98484248695889 15.999 > 8 73 O 0.59766672148936 0.16296570667090 0.17581447199271 15.999 > 9 74 O 0.59766672148936 0.66296570667090 0.17581447199271 15.999 > 9 75 O 0.59766672148936 0.16296570667090 0.67581447199271 15.999 > 9 76 O 0.59766672148936 0.66296570667090 0.67581447199271 15.999 > 9 77 O 0.90233327851064 0.08703429332910 0.42581447199271 15.999 > 10 78 O 0.90233327851064 0.58703429332910 0.42581447199271 15.999 > 10 79 O 0.90233327851064 0.08703429332910 0.92581447199271 15.999 > 10 80 O 0.90233327851064 0.58703429332910 0.92581447199271 15.999 > 10 *81 Ge 0.00000000000000 0.34305946327116 0.14764817659669 72.640 > 11 82 Ge 0.00000000000000 0.84305946327116 0.14764817659669 72.640 > 11 83 Ge 0.00000000000000 0.34305946327116 0.64764817659669 72.640 > 11 84 Ge 0.00000000000000 0.84305946327116 0.64764817659669 72.640 > 11 85 Ge 0.00000000000000 0.15694053672884 0.39764817659669 72.640 > 12 86 Ge 0.00000000000000 0.65694053672884 0.39764817659669 72.640 > 12 87 Ge 0.00000000000000 0.15694053672884 0.89764817659669 72.640 > 12 88 Ge 0.00000000000000 0.65694053672884 0.89764817659669 72.640 > 12 89 Ge 0.50000000000000 0.09305946327116 0.14764817659669 72.640 > 11 90 Ge 0.50000000000000 0.59305946327116 0.14764817659669 72.640 > 11 91 Ge 0.50000000000000 0.09305946327116 0.64764817659669 72.640 > 11 92 Ge 0.50000000000000 0.59305946327116 0.64764817659669 72.640 > 11 93 Ge 0.50000000000000 0.40694053672884 0.39764817659669 72.640 > 12 94 Ge 0.50000000000000 0.90694053672884 0.39764817659669 72.640 > 12 95 Ge 0.50000000000000 0.40694053672884 0.89764817659669 72.640 > 12 96 Ge 0.50000000000000 0.90694053672884 0.89764817659669 72.640 > 12 *97 Bi 0.33186111443850 0.13802183144293 0.38613989900776 208.980 > 13 98 Bi 0.33186111443850 0.63802183144293 0.38613989900776 208.980 > 13 99 Bi 0.33186111443850 0.13802183144293 0.88613989900776 208.980 > 13 100 Bi 0.33186111443850 0.63802183144293 0.88613989900776 208.980 > 13 101 Bi 0.16813888556150 0.11197816855707 0.13613989900776 208.980 > 14 102 Bi 0.16813888556150 0.61197816855707 0.13613989900776 208.980 > 14 103 Bi 0.16813888556150 0.11197816855707 0.63613989900776 208.980 > 14 104 Bi 0.16813888556150 0.61197816855707 0.63613989900776 208.980 > 14 105 Bi 0.33186111443850 0.36197816855707 0.13613989900776 208.980 > 15 106 Bi 0.33186111443850 0.86197816855707 0.13613989900776 208.980 > 15 107 Bi 0.33186111443850 0.36197816855707 0.63613989900776 208.980 > 15 108 Bi 0.33186111443850 0.86197816855707 0.63613989900776 208.980 > 15 109 Bi 0.16813888556150 0.38802183144293 0.38613989900776 208.980 > 16 110 Bi 0.16813888556150 0.88802183144293 0.38613989900776 208.980 > 16 111 Bi 0.16813888556150 0.38802183144293 0.88613989900776 208.980 > 16 112 Bi 0.16813888556150 0.88802183144293 0.88613989900776 208.980 > 16 113 Bi 0.83186111443850 0.38802183144293 0.38613989900776 208.980 > 13 114 Bi 0.83186111443850 0.88802183144293 0.38613989900776 208.980 > 13 115 Bi 0.83186111443850 0.38802183144293 0.88613989900776 208.980 > 13 116 Bi 0.83186111443850 0.88802183144293 0.88613989900776 208.980 > 13 117 Bi 0.66813888556150 0.36197816855707 0.13613989900776 208.980 > 14 118 Bi 0.66813888556150 0.86197816855707 0.13613989900776 208.980 > 14 119 Bi 0.66813888556150 0.36197816855707 0.63613989900776 208.980 > 14 120 Bi 0.66813888556150 0.86197816855707 0.63613989900776 208.980 > 14 121 Bi 0.83186111443850 0.11197816855707 0.13613989900776 208.980 > 15 122 Bi 0.83186111443850 0.61197816855707 0.13613989900776 208.980 > 15 123 Bi 0.83186111443850 0.11197816855707 0.63613989900776 208.980 > 15 124 Bi 0.83186111443850 0.61197816855707 0.63613989900776 208.980 > 15 125 Bi 0.66813888556150 0.13802183144293 0.38613989900776 208.980 > 16 126 Bi 0.66813888556150 0.63802183144293 0.38613989900776 208.980 > 16 127 Bi 0.66813888556150 0.13802183144293 0.88613989900776 208.980 > 16 128 Bi 0.66813888556150 0.63802183144293 0.88613989900776 208.980 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1551286 0.0000000 0.0000000 0.0000000 5.5462067 0.0000000 0.0000000 0.0000000 5.5965242 -------------------------- Born effective charges -------------------------- 1 O -2.1311718 -0.1315740 -0.1102934 -0.2903208 -3.0142071 -0.1313433 -0.1329569 0.1595164 -2.9685438 2 O -2.1311718 -0.1315740 0.1102934 -0.2903208 -3.0142071 0.1313433 0.1329569 -0.1595164 -2.9685438 3 O -2.1311718 0.1315740 -0.1102934 0.2903208 -3.0142071 0.1313433 -0.1329569 -0.1595164 -2.9685438 4 O -2.1311718 0.1315740 0.1102934 0.2903208 -3.0142071 -0.1313433 0.1329569 0.1595164 -2.9685438 5 O -2.7275868 0.8589098 0.5597937 0.8636171 -2.2663864 -0.0275563 0.3106441 0.1795641 -2.1856232 6 O -2.7275868 0.8589098 -0.5597937 0.8636171 -2.2663864 0.0275563 -0.3106441 -0.1795641 -2.1856232 7 O -2.2065492 0.0000000 0.0000000 0.0000000 -2.2632236 0.8968502 0.0000000 0.8933261 -2.7536676 8 O -2.2065492 0.0000000 0.0000000 0.0000000 -2.2632236 -0.8968502 0.0000000 -0.8933261 -2.7536676 9 O -2.7275868 -0.8589098 -0.5597937 -0.8636171 -2.2663864 -0.0275563 -0.3106441 0.1795641 -2.1856232 10 O -2.7275868 -0.8589098 0.5597937 -0.8636171 -2.2663864 0.0275563 0.3106441 -0.1795641 -2.1856232 11 Ge 4.4398166 0.0000000 0.0000000 0.0000000 3.3105591 0.4877835 0.0000000 0.0289967 3.3806412 12 Ge 4.4398166 0.0000000 0.0000000 0.0000000 3.3105591 -0.4877835 0.0000000 -0.0289967 3.3806412 13 Bi 3.7421249 0.6893528 -0.2056268 0.4960622 4.7569258 0.0485971 0.0056898 0.1650965 4.8406802 14 Bi 3.7421249 0.6893528 0.2056268 0.4960622 4.7569258 -0.0485971 -0.0056898 -0.1650965 4.8406802 15 Bi 3.7421249 -0.6893528 -0.2056268 -0.4960622 4.7569258 -0.0485971 0.0056898 -0.1650965 4.8406802 16 Bi 3.7421249 -0.6893528 0.2056268 -0.4960622 4.7569258 0.0485971 -0.0056898 0.1650965 4.8406802 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 11568/11568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2368 Number of blocks in projector: 2368 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: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 240 eigenvectors found. (2) Block: 544 / 544 (2) 284 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 534 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2368, 2331), data: False |-- (288, 283), data: True |-- (288, 283), data: True |-- (288, 283), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (544, 534), data: False |-- (544, 534), data: False |-- (544, 10), data: (544, 20) @ (20, 10) |-- (294, 284), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.829 Solver_block: 200 / 480 - Time: 0.779 Solver_block: 300 / 480 - Time: 0.784 Solver_block: 400 / 480 - Time: 0.769 Solver_block: 480 / 480 - Time: 0.643 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.897 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 11568/11568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2368 Number of blocks in projector: 2368 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: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 240 eigenvectors found. (2) Block: 544 / 544 (2) 284 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 534 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2368, 2331), data: False |-- (288, 283), data: True |-- (288, 283), data: True |-- (288, 283), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (544, 534), data: False |-- (544, 534), data: False |-- (544, 10), data: (544, 20) @ (20, 10) |-- (294, 284), data: True |-- (250, 240), 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 05:27:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:27:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.815240210000000 -2.750685235000000 0.000000000000000 b 7.815240210000000 2.750685235000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.344005320000000 Atomic positions (fractional): 1 O 0.24529090700323 0.25737895294742 0.53788558444348 15.999 2 O 0.75470909299677 0.74262104705258 0.03788558444348 15.999 3 O 0.25737895294742 0.24529090700323 0.03788558444348 15.999 4 O 0.74262104705258 0.75470909299677 0.53788558444348 15.999 5 O 0.07640186516884 0.72826469185244 0.35162894398543 15.999 6 O 0.92359813483116 0.27173530814756 0.85162894398543 15.999 7 O 0.59646972603549 0.40353027396451 0.46968497391778 15.999 8 O 0.40353027396451 0.59646972603549 0.96968497391778 15.999 9 O 0.27173530814756 0.92359813483116 0.35162894398543 15.999 10 O 0.72826469185244 0.07640186516884 0.85162894398543 15.999 11 Ge 0.31388107345768 0.68611892654232 0.29529635319337 72.640 12 Ge 0.68611892654232 0.31388107345768 0.79529635319337 72.640 13 Bi 0.05581745155264 0.60790477732437 0.77227979801552 208.980 14 Bi 0.94418254844736 0.39209522267563 0.27227979801551 208.980 15 Bi 0.60790477732437 0.05581745155264 0.27227979801551 208.980 16 Bi 0.39209522267563 0.94418254844736 0.77227979801552 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.630480420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.002740940000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.688010640000000 Atomic positions (fractional): 1 O 0.25133492997532 0.00302201148605 0.26894279222174 15.999 > 1 2 O 0.25133492997532 0.50302201148605 0.26894279222174 15.999 > 1 3 O 0.25133492997532 0.00302201148605 0.76894279222174 15.999 > 1 4 O 0.25133492997532 0.50302201148605 0.76894279222174 15.999 > 1 5 O 0.24866507002468 0.24697798851395 0.01894279222174 15.999 > 5 6 O 0.24866507002468 0.74697798851395 0.01894279222174 15.999 > 5 7 O 0.24866507002468 0.24697798851395 0.51894279222174 15.999 > 5 8 O 0.24866507002468 0.74697798851395 0.51894279222174 15.999 > 5 9 O 0.25133492997532 0.49697798851395 0.01894279222174 15.999 > 9 10 O 0.25133492997532 0.99697798851395 0.01894279222174 15.999 > 9 11 O 0.25133492997532 0.49697798851395 0.51894279222174 15.999 > 9 12 O 0.25133492997532 0.99697798851395 0.51894279222174 15.999 > 9 13 O 0.24866507002468 0.25302201148605 0.26894279222174 15.999 > 13 14 O 0.24866507002468 0.75302201148605 0.26894279222174 15.999 > 13 15 O 0.24866507002468 0.25302201148605 0.76894279222174 15.999 > 13 16 O 0.24866507002468 0.75302201148605 0.76894279222174 15.999 > 13 17 O 0.40233327851064 0.16296570667090 0.17581447199271 15.999 > 17 18 O 0.40233327851064 0.66296570667090 0.17581447199271 15.999 > 17 19 O 0.40233327851064 0.16296570667090 0.67581447199271 15.999 > 17 20 O 0.40233327851064 0.66296570667090 0.67581447199271 15.999 > 17 21 O 0.09766672148936 0.08703429332910 0.42581447199271 15.999 > 21 22 O 0.09766672148936 0.58703429332910 0.42581447199271 15.999 > 21 23 O 0.09766672148936 0.08703429332910 0.92581447199271 15.999 > 21 24 O 0.09766672148936 0.58703429332910 0.92581447199271 15.999 > 21 25 O 0.00000000000000 0.20176513698226 0.23484248695889 15.999 > 25 26 O 0.00000000000000 0.70176513698226 0.23484248695889 15.999 > 25 27 O 0.00000000000000 0.20176513698226 0.73484248695889 15.999 > 25 28 O 0.00000000000000 0.70176513698226 0.73484248695889 15.999 > 25 29 O 0.00000000000000 0.29823486301774 0.48484248695889 15.999 > 29 30 O 0.00000000000000 0.79823486301774 0.48484248695889 15.999 > 29 31 O 0.00000000000000 0.29823486301774 0.98484248695889 15.999 > 29 32 O 0.00000000000000 0.79823486301774 0.98484248695889 15.999 > 29 33 O 0.09766672148936 0.41296570667090 0.17581447199271 15.999 > 33 34 O 0.09766672148936 0.91296570667090 0.17581447199271 15.999 > 33 35 O 0.09766672148936 0.41296570667090 0.67581447199271 15.999 > 33 36 O 0.09766672148936 0.91296570667090 0.67581447199271 15.999 > 33 37 O 0.40233327851064 0.33703429332910 0.42581447199271 15.999 > 37 38 O 0.40233327851064 0.83703429332910 0.42581447199271 15.999 > 37 39 O 0.40233327851064 0.33703429332910 0.92581447199271 15.999 > 37 40 O 0.40233327851064 0.83703429332910 0.92581447199271 15.999 > 37 41 O 0.75133492997532 0.25302201148605 0.26894279222174 15.999 > 1 42 O 0.75133492997532 0.75302201148605 0.26894279222174 15.999 > 1 43 O 0.75133492997532 0.25302201148605 0.76894279222174 15.999 > 1 44 O 0.75133492997532 0.75302201148605 0.76894279222174 15.999 > 1 45 O 0.74866507002468 0.49697798851395 0.01894279222174 15.999 > 5 46 O 0.74866507002468 0.99697798851395 0.01894279222174 15.999 > 5 47 O 0.74866507002468 0.49697798851395 0.51894279222174 15.999 > 5 48 O 0.74866507002468 0.99697798851395 0.51894279222174 15.999 > 5 49 O 0.75133492997532 0.24697798851395 0.01894279222174 15.999 > 9 50 O 0.75133492997532 0.74697798851395 0.01894279222174 15.999 > 9 51 O 0.75133492997532 0.24697798851395 0.51894279222174 15.999 > 9 52 O 0.75133492997532 0.74697798851395 0.51894279222174 15.999 > 9 53 O 0.74866507002468 0.00302201148605 0.26894279222174 15.999 > 13 54 O 0.74866507002468 0.50302201148605 0.26894279222174 15.999 > 13 55 O 0.74866507002468 0.00302201148605 0.76894279222174 15.999 > 13 56 O 0.74866507002468 0.50302201148605 0.76894279222174 15.999 > 13 57 O 0.90233327851064 0.41296570667090 0.17581447199271 15.999 > 17 58 O 0.90233327851064 0.91296570667090 0.17581447199271 15.999 > 17 59 O 0.90233327851064 0.41296570667090 0.67581447199271 15.999 > 17 60 O 0.90233327851064 0.91296570667090 0.67581447199271 15.999 > 17 61 O 0.59766672148936 0.33703429332910 0.42581447199271 15.999 > 21 62 O 0.59766672148936 0.83703429332910 0.42581447199271 15.999 > 21 63 O 0.59766672148936 0.33703429332910 0.92581447199271 15.999 > 21 64 O 0.59766672148936 0.83703429332910 0.92581447199271 15.999 > 21 65 O 0.50000000000000 0.45176513698226 0.23484248695889 15.999 > 25 66 O 0.50000000000000 0.95176513698226 0.23484248695889 15.999 > 25 67 O 0.50000000000000 0.45176513698226 0.73484248695889 15.999 > 25 68 O 0.50000000000000 0.95176513698226 0.73484248695889 15.999 > 25 69 O 0.50000000000000 0.04823486301775 0.48484248695889 15.999 > 29 70 O 0.50000000000000 0.54823486301775 0.48484248695889 15.999 > 29 71 O 0.50000000000000 0.04823486301775 0.98484248695889 15.999 > 29 72 O 0.50000000000000 0.54823486301775 0.98484248695889 15.999 > 29 73 O 0.59766672148936 0.16296570667090 0.17581447199271 15.999 > 33 74 O 0.59766672148936 0.66296570667090 0.17581447199271 15.999 > 33 75 O 0.59766672148936 0.16296570667090 0.67581447199271 15.999 > 33 76 O 0.59766672148936 0.66296570667090 0.67581447199271 15.999 > 33 77 O 0.90233327851064 0.08703429332910 0.42581447199271 15.999 > 37 78 O 0.90233327851064 0.58703429332910 0.42581447199271 15.999 > 37 79 O 0.90233327851064 0.08703429332910 0.92581447199271 15.999 > 37 80 O 0.90233327851064 0.58703429332910 0.92581447199271 15.999 > 37 81 Ge 0.00000000000000 0.34305946327116 0.14764817659669 72.640 > 81 82 Ge 0.00000000000000 0.84305946327116 0.14764817659669 72.640 > 81 83 Ge 0.00000000000000 0.34305946327116 0.64764817659669 72.640 > 81 84 Ge 0.00000000000000 0.84305946327116 0.64764817659669 72.640 > 81 85 Ge 0.00000000000000 0.15694053672884 0.39764817659669 72.640 > 85 86 Ge 0.00000000000000 0.65694053672884 0.39764817659669 72.640 > 85 87 Ge 0.00000000000000 0.15694053672884 0.89764817659669 72.640 > 85 88 Ge 0.00000000000000 0.65694053672884 0.89764817659669 72.640 > 85 89 Ge 0.50000000000000 0.09305946327116 0.14764817659669 72.640 > 81 90 Ge 0.50000000000000 0.59305946327116 0.14764817659669 72.640 > 81 91 Ge 0.50000000000000 0.09305946327116 0.64764817659669 72.640 > 81 92 Ge 0.50000000000000 0.59305946327116 0.64764817659669 72.640 > 81 93 Ge 0.50000000000000 0.40694053672884 0.39764817659669 72.640 > 85 94 Ge 0.50000000000000 0.90694053672884 0.39764817659669 72.640 > 85 95 Ge 0.50000000000000 0.40694053672884 0.89764817659669 72.640 > 85 96 Ge 0.50000000000000 0.90694053672884 0.89764817659669 72.640 > 85 97 Bi 0.33186111443850 0.13802183144293 0.38613989900776 208.980 > 97 98 Bi 0.33186111443850 0.63802183144293 0.38613989900776 208.980 > 97 99 Bi 0.33186111443850 0.13802183144293 0.88613989900776 208.980 > 97 100 Bi 0.33186111443850 0.63802183144293 0.88613989900776 208.980 > 97 101 Bi 0.16813888556150 0.11197816855707 0.13613989900776 208.980 > 101 102 Bi 0.16813888556150 0.61197816855707 0.13613989900776 208.980 > 101 103 Bi 0.16813888556150 0.11197816855707 0.63613989900776 208.980 > 101 104 Bi 0.16813888556150 0.61197816855707 0.63613989900776 208.980 > 101 105 Bi 0.33186111443850 0.36197816855707 0.13613989900776 208.980 > 105 106 Bi 0.33186111443850 0.86197816855707 0.13613989900776 208.980 > 105 107 Bi 0.33186111443850 0.36197816855707 0.63613989900776 208.980 > 105 108 Bi 0.33186111443850 0.86197816855707 0.63613989900776 208.980 > 105 109 Bi 0.16813888556150 0.38802183144293 0.38613989900776 208.980 > 109 110 Bi 0.16813888556150 0.88802183144293 0.38613989900776 208.980 > 109 111 Bi 0.16813888556150 0.38802183144293 0.88613989900776 208.980 > 109 112 Bi 0.16813888556150 0.88802183144293 0.88613989900776 208.980 > 109 113 Bi 0.83186111443850 0.38802183144293 0.38613989900776 208.980 > 97 114 Bi 0.83186111443850 0.88802183144293 0.38613989900776 208.980 > 97 115 Bi 0.83186111443850 0.38802183144293 0.88613989900776 208.980 > 97 116 Bi 0.83186111443850 0.88802183144293 0.88613989900776 208.980 > 97 117 Bi 0.66813888556150 0.36197816855707 0.13613989900776 208.980 > 101 118 Bi 0.66813888556150 0.86197816855707 0.13613989900776 208.980 > 101 119 Bi 0.66813888556150 0.36197816855707 0.63613989900776 208.980 > 101 120 Bi 0.66813888556150 0.86197816855707 0.63613989900776 208.980 > 101 121 Bi 0.83186111443850 0.11197816855707 0.13613989900776 208.980 > 105 122 Bi 0.83186111443850 0.61197816855707 0.13613989900776 208.980 > 105 123 Bi 0.83186111443850 0.11197816855707 0.63613989900776 208.980 > 105 124 Bi 0.83186111443850 0.61197816855707 0.63613989900776 208.980 > 105 125 Bi 0.66813888556150 0.13802183144293 0.38613989900776 208.980 > 109 126 Bi 0.66813888556150 0.63802183144293 0.38613989900776 208.980 > 109 127 Bi 0.66813888556150 0.13802183144293 0.88613989900776 208.980 > 109 128 Bi 0.66813888556150 0.63802183144293 0.88613989900776 208.980 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1551286 0.0000000 0.0000000 0.0000000 5.5462067 0.0000000 0.0000000 0.0000000 5.5965242 -------------------------- Born effective charges -------------------------- 1 O -2.1311718 -0.1315740 -0.1102934 -0.2903208 -3.0142071 -0.1313433 -0.1329569 0.1595164 -2.9685438 2 O -2.1311718 -0.1315740 0.1102934 -0.2903208 -3.0142071 0.1313433 0.1329569 -0.1595164 -2.9685438 3 O -2.1311718 0.1315740 -0.1102934 0.2903208 -3.0142071 0.1313433 -0.1329569 -0.1595164 -2.9685438 4 O -2.1311718 0.1315740 0.1102934 0.2903208 -3.0142071 -0.1313433 0.1329569 0.1595164 -2.9685438 5 O -2.7275868 0.8589098 0.5597937 0.8636171 -2.2663864 -0.0275563 0.3106441 0.1795641 -2.1856232 6 O -2.7275868 0.8589098 -0.5597937 0.8636171 -2.2663864 0.0275563 -0.3106441 -0.1795641 -2.1856232 7 O -2.2065492 0.0000000 0.0000000 0.0000000 -2.2632236 0.8968502 0.0000000 0.8933261 -2.7536676 8 O -2.2065492 0.0000000 0.0000000 0.0000000 -2.2632236 -0.8968502 0.0000000 -0.8933261 -2.7536676 9 O -2.7275868 -0.8589098 -0.5597937 -0.8636171 -2.2663864 -0.0275563 -0.3106441 0.1795641 -2.1856232 10 O -2.7275868 -0.8589098 0.5597937 -0.8636171 -2.2663864 0.0275563 0.3106441 -0.1795641 -2.1856232 11 Ge 4.4398166 0.0000000 0.0000000 0.0000000 3.3105591 0.4877835 0.0000000 0.0289967 3.3806412 12 Ge 4.4398166 0.0000000 0.0000000 0.0000000 3.3105591 -0.4877835 0.0000000 -0.0289967 3.3806412 13 Bi 3.7421249 0.6893528 -0.2056268 0.4960622 4.7569258 0.0485971 0.0056898 0.1650965 4.8406802 14 Bi 3.7421249 0.6893528 0.2056268 0.4960622 4.7569258 -0.0485971 -0.0056898 -0.1650965 4.8406802 15 Bi 3.7421249 -0.6893528 -0.2056268 -0.4960622 4.7569258 -0.0485971 0.0056898 -0.1650965 4.8406802 16 Bi 3.7421249 -0.6893528 0.2056268 -0.4960622 4.7569258 0.0485971 -0.0056898 0.1650965 4.8406802 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000056 (yyy) 0.00000056 (yyy) 0.00000056 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (zy) 0.00000003 (zy) 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 05:27:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:27:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.815240210000000 -2.750685235000000 0.000000000000000 b 7.815240210000000 2.750685235000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.344005320000000 Atomic positions (fractional): 1 O 0.24529090700323 0.25737895294742 0.53788558444348 15.999 2 O 0.75470909299677 0.74262104705258 0.03788558444348 15.999 3 O 0.25737895294742 0.24529090700323 0.03788558444348 15.999 4 O 0.74262104705258 0.75470909299677 0.53788558444348 15.999 5 O 0.07640186516884 0.72826469185244 0.35162894398543 15.999 6 O 0.92359813483116 0.27173530814756 0.85162894398543 15.999 7 O 0.59646972603549 0.40353027396451 0.46968497391778 15.999 8 O 0.40353027396451 0.59646972603549 0.96968497391778 15.999 9 O 0.27173530814756 0.92359813483116 0.35162894398543 15.999 10 O 0.72826469185244 0.07640186516884 0.85162894398543 15.999 11 Ge 0.31388107345768 0.68611892654232 0.29529635319337 72.640 12 Ge 0.68611892654232 0.31388107345768 0.79529635319337 72.640 13 Bi 0.05581745155264 0.60790477732437 0.77227979801552 208.980 14 Bi 0.94418254844736 0.39209522267563 0.27227979801551 208.980 15 Bi 0.60790477732437 0.05581745155264 0.27227979801551 208.980 16 Bi 0.39209522267563 0.94418254844736 0.77227979801552 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.630480420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.002740940000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.688010640000000 Atomic positions (fractional): 1 O 0.25133492997532 0.00302201148605 0.26894279222174 15.999 > 1 2 O 0.25133492997532 0.50302201148605 0.26894279222174 15.999 > 1 3 O 0.25133492997532 0.00302201148605 0.76894279222174 15.999 > 1 4 O 0.25133492997532 0.50302201148605 0.76894279222174 15.999 > 1 5 O 0.24866507002468 0.24697798851395 0.01894279222174 15.999 > 5 6 O 0.24866507002468 0.74697798851395 0.01894279222174 15.999 > 5 7 O 0.24866507002468 0.24697798851395 0.51894279222174 15.999 > 5 8 O 0.24866507002468 0.74697798851395 0.51894279222174 15.999 > 5 9 O 0.25133492997532 0.49697798851395 0.01894279222174 15.999 > 9 10 O 0.25133492997532 0.99697798851395 0.01894279222174 15.999 > 9 11 O 0.25133492997532 0.49697798851395 0.51894279222174 15.999 > 9 12 O 0.25133492997532 0.99697798851395 0.51894279222174 15.999 > 9 13 O 0.24866507002468 0.25302201148605 0.26894279222174 15.999 > 13 14 O 0.24866507002468 0.75302201148605 0.26894279222174 15.999 > 13 15 O 0.24866507002468 0.25302201148605 0.76894279222174 15.999 > 13 16 O 0.24866507002468 0.75302201148605 0.76894279222174 15.999 > 13 17 O 0.40233327851064 0.16296570667090 0.17581447199271 15.999 > 17 18 O 0.40233327851064 0.66296570667090 0.17581447199271 15.999 > 17 19 O 0.40233327851064 0.16296570667090 0.67581447199271 15.999 > 17 20 O 0.40233327851064 0.66296570667090 0.67581447199271 15.999 > 17 21 O 0.09766672148936 0.08703429332910 0.42581447199271 15.999 > 21 22 O 0.09766672148936 0.58703429332910 0.42581447199271 15.999 > 21 23 O 0.09766672148936 0.08703429332910 0.92581447199271 15.999 > 21 24 O 0.09766672148936 0.58703429332910 0.92581447199271 15.999 > 21 25 O 0.00000000000000 0.20176513698226 0.23484248695889 15.999 > 25 26 O 0.00000000000000 0.70176513698226 0.23484248695889 15.999 > 25 27 O 0.00000000000000 0.20176513698226 0.73484248695889 15.999 > 25 28 O 0.00000000000000 0.70176513698226 0.73484248695889 15.999 > 25 29 O 0.00000000000000 0.29823486301774 0.48484248695889 15.999 > 29 30 O 0.00000000000000 0.79823486301774 0.48484248695889 15.999 > 29 31 O 0.00000000000000 0.29823486301774 0.98484248695889 15.999 > 29 32 O 0.00000000000000 0.79823486301774 0.98484248695889 15.999 > 29 33 O 0.09766672148936 0.41296570667090 0.17581447199271 15.999 > 33 34 O 0.09766672148936 0.91296570667090 0.17581447199271 15.999 > 33 35 O 0.09766672148936 0.41296570667090 0.67581447199271 15.999 > 33 36 O 0.09766672148936 0.91296570667090 0.67581447199271 15.999 > 33 37 O 0.40233327851064 0.33703429332910 0.42581447199271 15.999 > 37 38 O 0.40233327851064 0.83703429332910 0.42581447199271 15.999 > 37 39 O 0.40233327851064 0.33703429332910 0.92581447199271 15.999 > 37 40 O 0.40233327851064 0.83703429332910 0.92581447199271 15.999 > 37 41 O 0.75133492997532 0.25302201148605 0.26894279222174 15.999 > 1 42 O 0.75133492997532 0.75302201148605 0.26894279222174 15.999 > 1 43 O 0.75133492997532 0.25302201148605 0.76894279222174 15.999 > 1 44 O 0.75133492997532 0.75302201148605 0.76894279222174 15.999 > 1 45 O 0.74866507002468 0.49697798851395 0.01894279222174 15.999 > 5 46 O 0.74866507002468 0.99697798851395 0.01894279222174 15.999 > 5 47 O 0.74866507002468 0.49697798851395 0.51894279222174 15.999 > 5 48 O 0.74866507002468 0.99697798851395 0.51894279222174 15.999 > 5 49 O 0.75133492997532 0.24697798851395 0.01894279222174 15.999 > 9 50 O 0.75133492997532 0.74697798851395 0.01894279222174 15.999 > 9 51 O 0.75133492997532 0.24697798851395 0.51894279222174 15.999 > 9 52 O 0.75133492997532 0.74697798851395 0.51894279222174 15.999 > 9 53 O 0.74866507002468 0.00302201148605 0.26894279222174 15.999 > 13 54 O 0.74866507002468 0.50302201148605 0.26894279222174 15.999 > 13 55 O 0.74866507002468 0.00302201148605 0.76894279222174 15.999 > 13 56 O 0.74866507002468 0.50302201148605 0.76894279222174 15.999 > 13 57 O 0.90233327851064 0.41296570667090 0.17581447199271 15.999 > 17 58 O 0.90233327851064 0.91296570667090 0.17581447199271 15.999 > 17 59 O 0.90233327851064 0.41296570667090 0.67581447199271 15.999 > 17 60 O 0.90233327851064 0.91296570667090 0.67581447199271 15.999 > 17 61 O 0.59766672148936 0.33703429332910 0.42581447199271 15.999 > 21 62 O 0.59766672148936 0.83703429332910 0.42581447199271 15.999 > 21 63 O 0.59766672148936 0.33703429332910 0.92581447199271 15.999 > 21 64 O 0.59766672148936 0.83703429332910 0.92581447199271 15.999 > 21 65 O 0.50000000000000 0.45176513698226 0.23484248695889 15.999 > 25 66 O 0.50000000000000 0.95176513698226 0.23484248695889 15.999 > 25 67 O 0.50000000000000 0.45176513698226 0.73484248695889 15.999 > 25 68 O 0.50000000000000 0.95176513698226 0.73484248695889 15.999 > 25 69 O 0.50000000000000 0.04823486301775 0.48484248695889 15.999 > 29 70 O 0.50000000000000 0.54823486301775 0.48484248695889 15.999 > 29 71 O 0.50000000000000 0.04823486301775 0.98484248695889 15.999 > 29 72 O 0.50000000000000 0.54823486301775 0.98484248695889 15.999 > 29 73 O 0.59766672148936 0.16296570667090 0.17581447199271 15.999 > 33 74 O 0.59766672148936 0.66296570667090 0.17581447199271 15.999 > 33 75 O 0.59766672148936 0.16296570667090 0.67581447199271 15.999 > 33 76 O 0.59766672148936 0.66296570667090 0.67581447199271 15.999 > 33 77 O 0.90233327851064 0.08703429332910 0.42581447199271 15.999 > 37 78 O 0.90233327851064 0.58703429332910 0.42581447199271 15.999 > 37 79 O 0.90233327851064 0.08703429332910 0.92581447199271 15.999 > 37 80 O 0.90233327851064 0.58703429332910 0.92581447199271 15.999 > 37 81 Ge 0.00000000000000 0.34305946327116 0.14764817659669 72.640 > 81 82 Ge 0.00000000000000 0.84305946327116 0.14764817659669 72.640 > 81 83 Ge 0.00000000000000 0.34305946327116 0.64764817659669 72.640 > 81 84 Ge 0.00000000000000 0.84305946327116 0.64764817659669 72.640 > 81 85 Ge 0.00000000000000 0.15694053672884 0.39764817659669 72.640 > 85 86 Ge 0.00000000000000 0.65694053672884 0.39764817659669 72.640 > 85 87 Ge 0.00000000000000 0.15694053672884 0.89764817659669 72.640 > 85 88 Ge 0.00000000000000 0.65694053672884 0.89764817659669 72.640 > 85 89 Ge 0.50000000000000 0.09305946327116 0.14764817659669 72.640 > 81 90 Ge 0.50000000000000 0.59305946327116 0.14764817659669 72.640 > 81 91 Ge 0.50000000000000 0.09305946327116 0.64764817659669 72.640 > 81 92 Ge 0.50000000000000 0.59305946327116 0.64764817659669 72.640 > 81 93 Ge 0.50000000000000 0.40694053672884 0.39764817659669 72.640 > 85 94 Ge 0.50000000000000 0.90694053672884 0.39764817659669 72.640 > 85 95 Ge 0.50000000000000 0.40694053672884 0.89764817659669 72.640 > 85 96 Ge 0.50000000000000 0.90694053672884 0.89764817659669 72.640 > 85 97 Bi 0.33186111443850 0.13802183144293 0.38613989900776 208.980 > 97 98 Bi 0.33186111443850 0.63802183144293 0.38613989900776 208.980 > 97 99 Bi 0.33186111443850 0.13802183144293 0.88613989900776 208.980 > 97 100 Bi 0.33186111443850 0.63802183144293 0.88613989900776 208.980 > 97 101 Bi 0.16813888556150 0.11197816855707 0.13613989900776 208.980 > 101 102 Bi 0.16813888556150 0.61197816855707 0.13613989900776 208.980 > 101 103 Bi 0.16813888556150 0.11197816855707 0.63613989900776 208.980 > 101 104 Bi 0.16813888556150 0.61197816855707 0.63613989900776 208.980 > 101 105 Bi 0.33186111443850 0.36197816855707 0.13613989900776 208.980 > 105 106 Bi 0.33186111443850 0.86197816855707 0.13613989900776 208.980 > 105 107 Bi 0.33186111443850 0.36197816855707 0.63613989900776 208.980 > 105 108 Bi 0.33186111443850 0.86197816855707 0.63613989900776 208.980 > 105 109 Bi 0.16813888556150 0.38802183144293 0.38613989900776 208.980 > 109 110 Bi 0.16813888556150 0.88802183144293 0.38613989900776 208.980 > 109 111 Bi 0.16813888556150 0.38802183144293 0.88613989900776 208.980 > 109 112 Bi 0.16813888556150 0.88802183144293 0.88613989900776 208.980 > 109 113 Bi 0.83186111443850 0.38802183144293 0.38613989900776 208.980 > 97 114 Bi 0.83186111443850 0.88802183144293 0.38613989900776 208.980 > 97 115 Bi 0.83186111443850 0.38802183144293 0.88613989900776 208.980 > 97 116 Bi 0.83186111443850 0.88802183144293 0.88613989900776 208.980 > 97 117 Bi 0.66813888556150 0.36197816855707 0.13613989900776 208.980 > 101 118 Bi 0.66813888556150 0.86197816855707 0.13613989900776 208.980 > 101 119 Bi 0.66813888556150 0.36197816855707 0.63613989900776 208.980 > 101 120 Bi 0.66813888556150 0.86197816855707 0.63613989900776 208.980 > 101 121 Bi 0.83186111443850 0.11197816855707 0.13613989900776 208.980 > 105 122 Bi 0.83186111443850 0.61197816855707 0.13613989900776 208.980 > 105 123 Bi 0.83186111443850 0.11197816855707 0.63613989900776 208.980 > 105 124 Bi 0.83186111443850 0.61197816855707 0.63613989900776 208.980 > 105 125 Bi 0.66813888556150 0.13802183144293 0.38613989900776 208.980 > 109 126 Bi 0.66813888556150 0.63802183144293 0.38613989900776 208.980 > 109 127 Bi 0.66813888556150 0.13802183144293 0.88613989900776 208.980 > 109 128 Bi 0.66813888556150 0.63802183144293 0.88613989900776 208.980 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1551286 0.0000000 0.0000000 0.0000000 5.5462067 0.0000000 0.0000000 0.0000000 5.5965242 -------------------------- Born effective charges -------------------------- 1 O -2.1311718 -0.1315740 -0.1102934 -0.2903208 -3.0142071 -0.1313433 -0.1329569 0.1595164 -2.9685438 2 O -2.1311718 -0.1315740 0.1102934 -0.2903208 -3.0142071 0.1313433 0.1329569 -0.1595164 -2.9685438 3 O -2.1311718 0.1315740 -0.1102934 0.2903208 -3.0142071 0.1313433 -0.1329569 -0.1595164 -2.9685438 4 O -2.1311718 0.1315740 0.1102934 0.2903208 -3.0142071 -0.1313433 0.1329569 0.1595164 -2.9685438 5 O -2.7275868 0.8589098 0.5597937 0.8636171 -2.2663864 -0.0275563 0.3106441 0.1795641 -2.1856232 6 O -2.7275868 0.8589098 -0.5597937 0.8636171 -2.2663864 0.0275563 -0.3106441 -0.1795641 -2.1856232 7 O -2.2065492 0.0000000 0.0000000 0.0000000 -2.2632236 0.8968502 0.0000000 0.8933261 -2.7536676 8 O -2.2065492 0.0000000 0.0000000 0.0000000 -2.2632236 -0.8968502 0.0000000 -0.8933261 -2.7536676 9 O -2.7275868 -0.8589098 -0.5597937 -0.8636171 -2.2663864 -0.0275563 -0.3106441 0.1795641 -2.1856232 10 O -2.7275868 -0.8589098 0.5597937 -0.8636171 -2.2663864 0.0275563 0.3106441 -0.1795641 -2.1856232 11 Ge 4.4398166 0.0000000 0.0000000 0.0000000 3.3105591 0.4877835 0.0000000 0.0289967 3.3806412 12 Ge 4.4398166 0.0000000 0.0000000 0.0000000 3.3105591 -0.4877835 0.0000000 -0.0289967 3.3806412 13 Bi 3.7421249 0.6893528 -0.2056268 0.4960622 4.7569258 0.0485971 0.0056898 0.1650965 4.8406802 14 Bi 3.7421249 0.6893528 0.2056268 0.4960622 4.7569258 -0.0485971 -0.0056898 -0.1650965 4.8406802 15 Bi 3.7421249 -0.6893528 -0.2056268 -0.4960622 4.7569258 -0.0485971 0.0056898 -0.1650965 4.8406802 16 Bi 3.7421249 -0.6893528 0.2056268 -0.4960622 4.7569258 0.0485971 -0.0056898 0.1650965 4.8406802 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000056 (yyy) 0.00000056 (yyy) 0.00000056 (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 10 9 ] 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: 0.68, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/155) ======================= 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 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 1.975 ( 0.000 0.000 -0.000) 0.000 2.152 ( 0.000 0.000 -0.000) 0.000 2.181 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 -0.000) 0.000 2.932 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.140 ( 0.000 0.000 -0.000) 0.000 3.312 ( 0.000 0.000 -0.000) 0.000 3.507 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 -0.000) 0.000 4.591 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 -0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 -0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 6.107 ( 0.000 0.000 -0.000) 0.000 6.690 ( 0.000 0.000 0.000) 0.000 7.151 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 7.785 ( 0.000 0.000 0.000) 0.000 8.369 ( 0.000 0.000 -0.000) 0.000 8.558 ( 0.000 0.000 0.000) 0.000 9.041 ( 0.000 0.000 -0.000) 0.000 9.175 ( 0.000 0.000 0.000) 0.000 9.514 ( 0.000 0.000 0.000) 0.000 10.180 ( 0.000 0.000 0.000) 0.000 10.245 ( 0.000 0.000 0.000) 0.000 10.629 ( 0.000 0.000 0.000) 0.000 10.910 ( 0.000 0.000 0.000) 0.000 11.410 ( 0.000 0.000 0.000) 0.000 12.688 ( 0.000 0.000 0.000) 0.000 13.109 ( 0.000 0.000 0.000) 0.000 13.196 ( 0.000 0.000 0.000) 0.000 14.093 ( 0.000 0.000 0.000) 0.000 15.198 ( 0.000 0.000 0.000) 0.000 16.362 ( 0.000 0.000 -0.000) 0.000 16.386 ( 0.000 0.000 0.000) 0.000 20.473 ( 0.000 0.000 0.000) 0.000 20.998 ( 0.000 0.000 -0.000) 0.000 21.966 ( 0.000 0.000 -0.000) 0.000 22.500 ( 0.000 0.000 -0.000) 0.000 22.606 ( 0.000 0.000 0.000) 0.000 23.823 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/155) ======================= 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 11.840 -17.973 0.000) 21.522 0.452 ( 7.598 -21.375 0.000) 22.685 0.784 ( 9.541 -36.711 0.000) 37.931 2.042 ( 0.026 -6.191 0.000) 6.191 2.208 ( 1.006 -3.029 0.000) 3.191 2.418 ( 0.321 -1.724 0.000) 1.753 2.630 ( -18.773 -0.283 0.000) 18.775 2.705 ( 0.379 1.389 0.000) 1.440 2.917 ( -0.940 3.445 0.000) 3.571 3.022 ( 4.177 3.950 0.000) 5.749 3.287 ( -1.036 1.052 0.000) 1.476 3.406 ( 4.703 -8.443 0.000) 9.664 3.693 ( -4.463 3.312 0.000) 5.557 3.940 ( 16.687 15.058 0.000) 22.477 4.607 ( -0.398 0.508 0.000) 0.646 4.788 ( 0.745 -1.724 0.000) 1.878 4.838 ( 2.607 4.218 0.000) 4.959 4.912 ( 3.052 0.707 0.000) 3.133 4.950 ( 0.879 -0.990 0.000) 1.324 6.013 ( 0.732 10.068 0.000) 10.095 6.785 ( -1.750 -9.825 0.000) 9.979 7.299 ( -5.523 -14.954 0.000) 15.941 7.478 ( 3.432 0.795 0.000) 3.523 7.819 ( -0.619 -2.253 0.000) 2.337 8.173 ( -1.120 9.900 0.000) 9.963 8.374 ( -6.177 -3.150 0.000) 6.934 8.808 ( 0.588 -16.640 0.000) 16.651 9.171 ( 3.898 1.304 0.000) 4.110 9.476 ( -8.296 -2.343 0.000) 8.621 10.088 ( -10.424 5.925 0.000) 11.990 10.253 ( 9.166 0.272 0.000) 9.170 10.666 ( 0.292 -3.386 0.000) 3.399 11.011 ( 0.362 -8.874 0.000) 8.881 11.407 ( -17.112 -10.383 0.000) 20.015 11.451 ( -3.578 -4.845 0.000) 6.023 13.029 ( -5.657 -1.007 0.000) 5.746 13.128 ( -1.432 5.037 0.000) 5.236 14.088 ( -13.101 -4.000 0.000) 13.698 14.205 ( -69.462 -25.430 0.000) 73.970 15.504 ( 73.939 38.854 0.000) 83.526 16.379 ( 1.263 -0.911 0.000) 1.557 16.406 ( 2.196 -0.301 0.000) 2.216 21.002 ( -0.030 -0.407 0.000) 0.408 21.516 ( -65.330 -15.095 0.000) 67.051 21.967 ( 0.179 0.066 0.000) 0.191 22.513 ( -0.333 -1.258 0.000) 1.301 22.920 ( 72.292 28.249 0.000) 77.615 23.929 ( 0.271 -2.084 0.000) 2.102 ======================= Grid point 2 (3/155) ======================= 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 11.909 -10.837 0.000) 16.101 0.874 ( 4.446 -20.616 0.000) 21.090 1.404 ( -0.120 -26.202 0.000) 26.203 2.136 ( -2.885 -4.133 0.000) 5.040 2.312 ( 5.265 -3.074 0.000) 6.097 2.441 ( 1.558 -2.595 0.000) 3.027 2.505 ( -4.742 4.330 0.000) 6.421 2.660 ( 3.728 4.872 0.000) 6.134 2.894 ( 0.868 -4.018 0.000) 4.111 3.042 ( -2.931 -3.612 0.000) 4.652 3.262 ( -3.216 -0.369 0.000) 3.237 3.528 ( -0.779 0.641 0.000) 1.009 3.611 ( -3.131 1.936 0.000) 3.681 3.750 ( 5.030 9.500 0.000) 10.749 4.532 ( -6.865 4.576 0.000) 8.251 4.696 ( -0.172 8.786 0.000) 8.787 4.796 ( 1.347 4.138 0.000) 4.351 4.965 ( 1.227 -1.129 0.000) 1.668 5.014 ( 11.372 -3.090 0.000) 11.785 5.817 ( 1.379 11.312 0.000) 11.396 6.964 ( -6.722 -11.327 0.000) 13.172 7.389 ( -4.147 -2.131 0.000) 4.662 7.718 ( 4.746 -17.632 0.000) 18.260 7.803 ( 1.805 3.972 0.000) 4.363 8.105 ( -1.901 -4.272 0.000) 4.676 8.405 ( -3.963 -4.252 0.000) 5.812 9.033 ( -4.100 -6.734 0.000) 7.884 9.235 ( 8.883 -5.951 0.000) 10.692 9.466 ( -2.118 -0.498 0.000) 2.176 9.898 ( -4.534 8.647 0.000) 9.763 10.351 ( 3.431 -6.700 0.000) 7.528 10.745 ( 0.134 -4.898 0.000) 4.900 11.162 ( 0.335 -6.713 0.000) 6.721 11.504 ( -4.364 -5.244 0.000) 6.823 11.615 ( -3.218 -18.637 0.000) 18.913 12.950 ( 0.601 11.676 0.000) 11.691 13.025 ( -1.716 1.552 0.000) 2.314 14.067 ( -18.724 -4.791 0.000) 19.327 14.221 ( -22.830 -8.352 0.000) 24.310 15.211 ( 29.004 28.382 0.000) 40.581 16.408 ( 2.438 -0.875 0.000) 2.590 16.418 ( 0.765 0.178 0.000) 0.786 21.008 ( -0.209 -0.187 0.000) 0.281 21.343 ( -28.547 0.096 0.000) 28.547 21.965 ( 0.200 0.271 0.000) 0.337 22.530 ( -0.027 -0.419 0.000) 0.420 22.846 ( 34.258 17.189 0.000) 38.329 23.975 ( -0.678 -2.761 0.000) 2.843 ======================= Grid point 3 (4/155) ======================= 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 10.957 -3.017 0.000) 11.365 1.251 ( 2.514 -18.275 0.000) 18.447 1.681 ( -11.485 -8.018 0.000) 14.007 2.145 ( -1.686 2.569 0.000) 3.073 2.295 ( -0.444 0.844 0.000) 0.954 2.419 ( -1.826 1.632 0.000) 2.449 2.618 ( 3.739 -0.971 0.000) 3.863 2.667 ( 8.418 -10.493 0.000) 13.452 2.996 ( -2.344 -3.333 0.000) 4.074 3.119 ( 3.799 -5.655 0.000) 6.813 3.269 ( -2.648 -2.626 0.000) 3.729 3.416 ( -5.062 8.309 0.000) 9.729 3.448 ( 3.002 9.442 0.000) 9.908 3.793 ( -0.804 -6.594 0.000) 6.643 4.382 ( -7.528 6.363 0.000) 9.857 4.516 ( -0.364 9.908 0.000) 9.915 4.708 ( 0.185 5.875 0.000) 5.878 4.969 ( 1.280 1.304 0.000) 1.827 5.133 ( 10.688 -1.607 0.000) 10.809 5.641 ( 1.854 8.782 0.000) 8.975 7.093 ( -9.112 -8.916 0.000) 12.748 7.407 ( -0.283 -0.959 0.000) 1.000 7.733 ( 1.394 3.588 0.000) 3.850 7.959 ( -1.740 -6.457 0.000) 6.687 8.302 ( 5.244 -13.286 0.000) 14.284 8.494 ( 0.708 -6.946 0.000) 6.981 9.056 ( -9.357 -2.172 0.000) 9.606 9.413 ( 2.040 -4.747 0.000) 5.167 9.505 ( 6.081 -6.059 0.000) 8.584 9.735 ( 0.040 7.408 0.000) 7.408 10.537 ( 0.466 -11.903 0.000) 11.913 10.836 ( -1.246 -5.435 0.000) 5.576 11.264 ( -0.127 -4.476 0.000) 4.478 11.569 ( -0.332 -4.075 0.000) 4.088 12.036 ( 0.367 -27.127 0.000) 27.130 12.664 ( 2.550 19.987 0.000) 20.149 13.008 ( -2.988 -1.241 0.000) 3.235 14.017 ( -18.620 -2.621 0.000) 18.804 14.185 ( -4.360 4.107 0.000) 5.990 14.893 ( 11.421 19.132 0.000) 22.282 16.398 ( 1.208 2.064 0.000) 2.391 16.452 ( 1.375 -2.081 0.000) 2.494 21.004 ( -0.495 0.413 0.000) 0.645 21.174 ( -14.415 2.842 0.000) 14.693 21.961 ( 0.099 0.243 0.000) 0.263 22.522 ( 1.201 1.685 0.000) 2.069 22.747 ( 17.299 11.304 0.000) 20.665 24.012 ( -0.561 -1.619 0.000) 1.713 ======================= Grid point 4 (5/155) ======================= 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 12.116 -2.914 0.000) 12.461 1.569 ( -0.150 -15.692 0.000) 15.693 1.599 ( -13.337 5.415 0.000) 14.395 2.023 ( 0.958 9.523 0.000) 9.571 2.325 ( -1.365 -2.761 0.000) 3.080 2.427 ( -3.456 -4.457 0.000) 5.640 2.667 ( 2.705 -2.625 0.000) 3.770 2.852 ( 0.173 -0.552 0.000) 0.579 3.012 ( 6.247 -2.495 0.000) 6.726 3.154 ( 0.776 4.929 0.000) 4.990 3.269 ( -3.062 3.845 0.000) 4.915 3.300 ( 1.009 1.374 0.000) 1.705 3.446 ( 2.648 -9.313 0.000) 9.682 3.891 ( -4.524 -4.913 0.000) 6.678 4.205 ( -0.784 9.593 0.000) 9.625 4.384 ( -3.456 2.210 0.000) 4.102 4.592 ( 0.263 6.513 0.000) 6.519 4.945 ( 1.232 1.833 0.000) 2.208 5.207 ( 5.912 -0.798 0.000) 5.966 5.529 ( 1.567 4.720 0.000) 4.973 7.185 ( -5.717 -6.386 0.000) 8.571 7.408 ( 0.274 0.822 0.000) 0.867 7.688 ( 0.063 1.886 0.000) 1.887 8.011 ( -2.451 -2.009 0.000) 3.169 8.515 ( 1.393 -6.745 0.000) 6.888 8.657 ( 12.384 -5.702 0.000) 13.633 8.993 ( -13.192 1.424 0.000) 13.268 9.456 ( -1.293 -2.104 0.000) 2.469 9.630 ( 0.202 3.737 0.000) 3.743 9.723 ( 7.328 -8.625 0.000) 11.318 10.758 ( -0.440 -11.197 0.000) 11.206 10.932 ( -1.851 -6.010 0.000) 6.289 11.312 ( -0.113 -0.776 0.000) 0.784 11.670 ( 0.008 -7.936 0.000) 7.936 12.266 ( 1.997 22.299 0.000) 22.388 12.533 ( 4.345 -19.544 0.000) 20.021 13.075 ( -5.257 -11.946 0.000) 13.051 13.874 ( -6.770 13.891 0.000) 15.453 14.022 ( -0.964 6.990 0.000) 7.056 14.712 ( 1.573 5.455 0.000) 5.677 16.367 ( 0.231 1.533 0.000) 1.550 16.495 ( 1.369 -1.398 0.000) 1.957 20.991 ( -0.506 0.356 0.000) 0.619 21.064 ( -6.063 2.076 0.000) 6.409 21.959 ( 0.024 -0.021 0.000) 0.032 22.488 ( 2.188 2.940 0.000) 3.665 22.673 ( 5.969 4.779 0.000) 7.647 24.028 ( -0.292 -0.508 0.000) 0.585 ======================= Grid point 5 (6/155) ======================= 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 0.000 -0.000 0.000) 0.000 1.446 ( -0.000 -0.000 0.000) 0.000 1.826 ( -0.000 -0.000 0.000) 0.000 1.826 ( 0.000 0.000 0.000) 0.000 2.346 ( 0.000 -0.000 0.000) 0.000 2.478 ( 0.000 -0.000 0.000) 0.000 2.734 ( 0.000 -0.000 0.000) 0.000 2.776 ( 0.000 -0.000 0.000) 0.000 3.080 ( 0.000 -0.000 0.000) 0.000 3.159 ( 0.000 -0.000 0.000) 0.000 3.162 ( -0.000 0.000 0.000) 0.000 3.295 ( 0.000 -0.000 0.000) 0.000 3.597 ( 0.000 -0.000 0.000) 0.000 3.890 ( -0.000 -0.000 0.000) 0.000 4.105 ( 0.000 -0.000 0.000) 0.000 4.369 ( 0.000 -0.000 0.000) 0.000 4.517 ( 0.000 -0.000 0.000) 0.000 4.931 ( 0.000 -0.000 0.000) 0.000 5.235 ( 0.000 -0.000 0.000) 0.000 5.490 ( 0.000 -0.000 0.000) 0.000 7.232 ( -0.000 -0.000 0.000) 0.000 7.395 ( 0.000 -0.000 0.000) 0.000 7.670 ( -0.000 -0.000 0.000) 0.000 8.020 ( 0.000 -0.000 0.000) 0.000 8.576 ( 0.000 -0.000 0.000) 0.000 8.831 ( 0.000 -0.000 0.000) 0.000 8.855 ( -0.000 0.000 0.000) 0.000 9.476 ( 0.000 -0.000 0.000) 0.000 9.594 ( -0.000 -0.000 0.000) 0.000 9.836 ( 0.000 -0.000 0.000) 0.000 10.877 ( 0.000 -0.000 0.000) 0.000 10.990 ( 0.000 -0.000 0.000) 0.000 11.312 ( 0.000 -0.000 0.000) 0.000 11.879 ( -0.000 -0.000 0.000) 0.000 11.907 ( 0.000 0.000 0.000) 0.000 12.717 ( 0.000 -0.000 0.000) 0.000 13.398 ( 0.000 0.000 0.000) 0.000 13.491 ( -0.000 -0.000 0.000) 0.000 13.968 ( -0.000 -0.000 0.000) 0.000 14.675 ( 0.000 -0.000 0.000) 0.000 16.353 ( 0.000 -0.000 0.000) 0.000 16.513 ( 0.000 -0.000 0.000) 0.000 20.988 ( 0.000 -0.000 0.000) 0.000 21.023 ( 0.000 -0.000 0.000) 0.000 21.960 ( 0.000 -0.000 0.000) 0.000 22.464 ( 0.000 -0.000 0.000) 0.000 22.650 ( 0.000 -0.000 0.000) 0.000 24.031 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/155) ======================= q-point: ( 0.10 0.10 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( 21.490 -0.000 0.000) 21.490 0.326 ( 24.425 -0.000 0.000) 24.425 0.541 ( 41.705 -0.000 0.000) 41.705 1.981 ( 1.066 -0.000 0.000) 1.066 2.169 ( 2.470 -0.000 0.000) 2.470 2.180 ( -0.193 0.000 0.000) 0.193 2.410 ( 0.876 -0.000 0.000) 0.876 2.718 ( 0.261 -0.000 0.000) 0.261 2.931 ( -0.151 0.000 0.000) 0.151 3.138 ( 0.073 -0.000 0.000) 0.073 3.239 ( -7.938 0.000 0.000) 7.938 3.567 ( 6.136 -0.000 0.000) 6.136 3.632 ( -2.501 0.000 0.000) 2.501 4.482 ( -14.964 0.000 0.000) 14.964 4.744 ( -0.479 0.000 0.000) 0.479 4.873 ( -3.036 0.000 0.000) 3.036 4.895 ( 2.391 -0.000 0.000) 2.391 4.942 ( 2.666 -0.000 0.000) 2.666 5.135 ( 11.428 -0.000 0.000) 11.428 6.117 ( 1.500 -0.000 0.000) 1.500 6.680 ( -1.549 0.000 0.000) 1.549 7.119 ( -4.739 0.000 0.000) 4.739 7.505 ( -1.576 0.000 0.000) 1.576 7.720 ( -0.788 0.000 0.000) 0.788 7.781 ( -0.523 0.000 0.000) 0.523 8.382 ( 0.192 -0.000 0.000) 0.192 8.569 ( 1.681 -0.000 0.000) 1.681 9.043 ( 0.365 -0.000 0.000) 0.365 9.225 ( 7.561 -0.000 0.000) 7.561 10.045 ( -13.118 0.000 0.000) 13.118 10.360 ( 9.985 -0.000 0.000) 9.985 10.599 ( -4.051 0.000 0.000) 4.051 10.654 ( 1.138 -0.000 0.000) 1.138 10.922 ( 1.727 -0.000 0.000) 1.727 11.396 ( -2.163 0.000 0.000) 2.163 12.689 ( 0.260 -0.000 0.000) 0.260 13.098 ( -1.675 0.000 0.000) 1.675 13.462 ( 0.459 -0.000 0.000) 0.459 14.097 ( 0.546 -0.000 0.000) 0.546 16.369 ( 0.351 -0.000 0.000) 0.351 16.386 ( 0.630 -0.000 0.000) 0.630 16.881 ( 0.182 -0.000 0.000) 0.182 20.469 ( -0.706 0.000 0.000) 0.706 20.998 ( 0.009 -0.000 0.000) 0.009 21.969 ( 0.315 -0.000 0.000) 0.315 22.500 ( 0.027 -0.000 0.000) 0.027 23.823 ( 0.048 -0.000 0.000) 0.048 24.273 ( 0.038 -0.000 0.000) 0.038 ======================= Grid point 13 (8/155) ======================= q-point: ( 0.20 0.10 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 13.238 -16.036 0.000) 20.794 0.648 ( 18.627 -11.712 0.000) 22.003 1.006 ( 23.217 -20.277 0.000) 30.825 2.042 ( 0.118 -4.317 0.000) 4.318 2.234 ( 3.096 -6.259 0.000) 6.983 2.417 ( -10.809 -11.910 0.000) 16.084 2.426 ( 0.745 -0.755 0.000) 1.061 2.712 ( 0.400 1.168 0.000) 1.235 2.904 ( -1.032 0.579 0.000) 1.183 3.057 ( 0.705 7.842 0.000) 7.874 3.210 ( -6.284 -1.687 0.000) 6.507 3.524 ( 9.081 1.649 0.000) 9.229 3.624 ( -6.813 1.528 0.000) 6.982 4.073 ( -0.365 21.700 0.000) 21.704 4.620 ( 2.902 9.200 0.000) 9.647 4.809 ( 2.027 2.990 0.000) 3.613 4.876 ( 2.220 3.183 0.000) 3.881 4.951 ( 2.166 -0.187 0.000) 2.174 5.037 ( 13.611 -1.628 0.000) 13.708 6.030 ( 1.812 9.957 0.000) 10.121 6.746 ( -4.054 -7.894 0.000) 8.874 7.194 ( -9.885 -10.927 0.000) 14.735 7.529 ( 3.724 -6.571 0.000) 7.552 7.804 ( -1.787 -2.872 0.000) 3.383 8.127 ( -7.229 0.220 0.000) 7.233 8.280 ( -4.674 -2.672 0.000) 5.384 8.818 ( 0.633 -15.534 0.000) 15.547 9.260 ( 9.234 0.745 0.000) 9.264 9.338 ( -9.503 -13.125 0.000) 16.204 9.940 ( -12.022 2.280 0.000) 12.237 10.369 ( 8.290 3.108 0.000) 8.853 10.670 ( 0.218 -3.635 0.000) 3.641 11.014 ( -2.032 -12.542 0.000) 12.706 11.095 ( -20.214 -26.945 0.000) 33.685 11.421 ( -2.803 -4.976 0.000) 5.711 12.909 ( -10.276 -11.573 0.000) 15.477 13.097 ( -3.219 0.216 0.000) 3.226 13.559 ( -19.775 -14.004 0.000) 24.231 14.119 ( 0.808 -1.935 0.000) 2.097 16.086 ( 21.778 42.498 0.000) 47.753 16.379 ( -0.819 -1.224 0.000) 1.473 16.494 ( 10.128 7.282 0.000) 12.475 20.909 ( -28.724 -25.909 0.000) 38.682 21.002 ( -0.096 -0.368 0.000) 0.380 21.970 ( 0.319 0.123 0.000) 0.342 22.512 ( -0.091 -1.039 0.000) 1.043 23.605 ( 31.878 34.021 0.000) 46.622 23.941 ( 2.012 3.351 0.000) 3.909 ======================= Grid point 14 (9/155) ======================= q-point: ( 0.30 0.10 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 14.680 -7.591 0.000) 16.526 0.947 ( 6.926 -17.336 0.000) 18.668 1.412 ( 1.710 -13.846 0.000) 13.952 2.103 ( -2.321 -3.244 0.000) 3.988 2.361 ( 1.248 3.291 0.000) 3.519 2.450 ( -1.825 -2.395 0.000) 3.011 2.492 ( 5.404 -7.642 0.000) 9.359 2.689 ( 0.373 1.308 0.000) 1.361 2.908 ( 1.369 -1.219 0.000) 1.833 3.019 ( -0.309 -5.361 0.000) 5.370 3.215 ( -3.216 -2.033 0.000) 3.804 3.489 ( -8.314 4.865 0.000) 9.633 3.588 ( 2.350 1.137 0.000) 2.610 3.793 ( 0.394 8.927 0.000) 8.936 4.463 ( -3.099 8.345 0.000) 8.902 4.702 ( 1.181 8.821 0.000) 8.900 4.811 ( 0.823 5.083 0.000) 5.150 4.979 ( 1.170 -1.041 0.000) 1.567 5.179 ( 12.969 -2.464 0.000) 13.201 5.840 ( 2.160 11.304 0.000) 11.508 6.868 ( -7.455 -9.098 0.000) 11.762 7.298 ( -9.307 -7.464 0.000) 11.930 7.783 ( 3.981 -7.924 0.000) 8.868 7.842 ( 4.518 -4.635 0.000) 6.472 8.076 ( -2.235 -5.732 0.000) 6.152 8.343 ( -5.156 -6.913 0.000) 8.624 8.992 ( -2.617 -3.166 0.000) 4.107 9.349 ( 7.955 -4.178 0.000) 8.985 9.446 ( 0.216 -4.869 0.000) 4.874 9.823 ( -6.826 3.523 0.000) 7.682 10.406 ( 4.725 -3.133 0.000) 5.669 10.742 ( -0.847 -4.136 0.000) 4.222 11.170 ( 0.996 -6.032 0.000) 6.113 11.413 ( -9.037 -16.110 0.000) 18.471 11.583 ( -1.625 -17.861 0.000) 17.935 12.954 ( -0.294 3.615 0.000) 3.627 12.999 ( -2.013 6.139 0.000) 6.461 13.667 ( -29.130 -14.625 0.000) 32.595 14.169 ( 0.999 -2.417 0.000) 2.615 15.496 ( 16.406 35.251 0.000) 38.882 16.403 ( -0.999 -1.729 0.000) 1.997 16.472 ( 5.242 2.348 0.000) 5.744 21.001 ( -2.892 -0.765 0.000) 2.992 21.033 ( -16.618 -6.769 0.000) 17.943 21.967 ( 0.118 0.352 0.000) 0.372 22.528 ( -0.178 -0.682 0.000) 0.704 23.244 ( 25.788 26.379 0.000) 36.890 23.964 ( -1.088 -2.921 0.000) 3.117 ======================= Grid point 15 (10/155) ======================= q-point: ( 0.40 0.10 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 12.684 -1.920 0.000) 12.828 1.280 ( 1.443 -16.143 0.000) 16.208 1.529 ( -10.963 -3.282 0.000) 11.444 2.123 ( -1.613 0.594 0.000) 1.719 2.290 ( -0.497 1.791 0.000) 1.859 2.397 ( -1.413 2.635 0.000) 2.990 2.660 ( 2.504 -0.478 0.000) 2.549 2.763 ( 5.997 -9.174 0.000) 10.960 2.985 ( 0.732 -4.697 0.000) 4.754 3.174 ( 4.774 -7.452 0.000) 8.850 3.226 ( -4.435 -2.068 0.000) 4.893 3.338 ( -5.356 5.085 0.000) 7.386 3.491 ( 2.748 8.265 0.000) 8.710 3.770 ( -2.874 -4.131 0.000) 5.032 4.295 ( -5.210 6.510 0.000) 8.339 4.528 ( 1.931 10.839 0.000) 11.009 4.706 ( -0.547 6.377 0.000) 6.401 4.988 ( 1.475 1.054 0.000) 1.812 5.267 ( 9.791 0.638 0.000) 9.811 5.668 ( 2.260 8.885 0.000) 9.168 6.986 ( -7.368 -9.278 0.000) 11.848 7.355 ( -6.985 -4.607 0.000) 8.368 7.763 ( 2.868 4.038 0.000) 4.953 7.960 ( 1.756 -2.447 0.000) 3.012 8.346 ( 1.737 -14.206 0.000) 14.312 8.514 ( 1.767 -14.940 0.000) 15.044 8.956 ( -5.711 2.564 0.000) 6.260 9.416 ( -0.284 -1.130 0.000) 1.165 9.576 ( 3.058 -5.462 0.000) 6.260 9.750 ( 2.903 1.604 0.000) 3.317 10.548 ( 1.308 -10.035 0.000) 10.120 10.808 ( -3.126 -4.923 0.000) 5.832 11.266 ( 0.333 -4.046 0.000) 4.060 11.564 ( -0.527 -6.223 0.000) 6.245 12.048 ( 1.479 -29.847 0.000) 29.884 12.699 ( 2.470 19.935 0.000) 20.088 12.970 ( -2.357 -0.343 0.000) 2.382 13.724 ( -23.570 -10.671 0.000) 25.873 14.186 ( 1.689 3.095 0.000) 3.526 15.018 ( 8.111 25.079 0.000) 26.358 16.404 ( -0.020 1.344 0.000) 1.344 16.482 ( 3.046 -0.535 0.000) 3.092 20.986 ( -4.326 -0.431 0.000) 4.348 21.022 ( -6.534 -1.205 0.000) 6.645 21.961 ( -0.111 0.281 0.000) 0.302 22.531 ( 0.419 0.452 0.000) 0.616 22.958 ( 14.379 19.229 0.000) 24.011 24.004 ( -0.678 -1.907 0.000) 2.024 ======================= Grid point 16 (11/155) ======================= q-point: ( 0.50 0.10 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 7.910 -0.126 0.000) 7.911 1.417 ( -11.614 0.355 0.000) 11.620 1.579 ( 0.317 -12.968 0.000) 12.972 2.038 ( 1.278 8.474 0.000) 8.569 2.317 ( 0.046 -3.211 0.000) 3.211 2.384 ( -2.936 -4.008 0.000) 4.969 2.700 ( 2.153 -2.046 0.000) 2.970 2.842 ( -1.656 2.214 0.000) 2.765 3.076 ( 2.024 -2.401 0.000) 3.140 3.147 ( -1.078 1.398 0.000) 1.766 3.239 ( -0.285 5.227 0.000) 5.234 3.330 ( 3.132 2.092 0.000) 3.766 3.489 ( 3.830 -10.011 0.000) 10.719 3.827 ( -5.514 -3.479 0.000) 6.519 4.178 ( -3.091 3.196 0.000) 4.446 4.368 ( 0.867 6.151 0.000) 6.212 4.582 ( -1.719 5.941 0.000) 6.185 4.965 ( 1.595 2.266 0.000) 2.771 5.287 ( 6.240 2.720 0.000) 6.807 5.549 ( 1.495 5.538 0.000) 5.736 7.108 ( -6.050 -8.445 0.000) 10.388 7.383 ( -3.633 -2.320 0.000) 4.311 7.718 ( 3.956 3.143 0.000) 5.052 8.004 ( 1.253 -1.724 0.000) 2.131 8.522 ( 0.258 -5.987 0.000) 5.993 8.795 ( -1.165 -7.751 0.000) 7.838 8.858 ( 1.984 2.141 0.000) 2.919 9.430 ( -2.862 -2.055 0.000) 3.523 9.603 ( -2.950 0.538 0.000) 2.998 9.829 ( 7.816 -2.971 0.000) 8.361 10.756 ( 0.063 -11.036 0.000) 11.036 10.899 ( -3.252 -7.150 0.000) 7.854 11.314 ( 0.495 -0.968 0.000) 1.087 11.672 ( 0.204 -6.826 0.000) 6.829 12.293 ( 2.063 22.411 0.000) 22.506 12.601 ( 6.233 -20.098 0.000) 21.042 13.002 ( -6.035 -10.233 0.000) 11.880 13.759 ( -10.332 -3.607 0.000) 10.943 14.014 ( -0.379 15.183 0.000) 15.188 14.746 ( 3.368 8.413 0.000) 9.062 16.376 ( 1.101 1.751 0.000) 2.069 16.508 ( 0.602 -0.540 0.000) 0.809 20.978 ( -2.012 -1.240 0.000) 2.363 21.005 ( -2.448 -0.201 0.000) 2.456 21.957 ( -0.290 -0.054 0.000) 0.295 22.516 ( 2.207 2.200 0.000) 3.116 22.740 ( 4.114 10.754 0.000) 11.514 24.024 ( -0.303 -0.735 0.000) 0.794 ======================= Grid point 17 (12/155) ======================= q-point: (-0.40 0.10 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -10.819 7.552 0.000) 13.194 1.520 ( 7.889 -9.638 0.000) 12.455 1.810 ( -1.123 -12.310 0.000) 12.361 1.843 ( 1.293 13.453 0.000) 13.515 2.363 ( 2.445 -0.453 0.000) 2.487 2.467 ( -1.530 -3.920 0.000) 4.208 2.734 ( -0.353 5.091 0.000) 5.103 2.779 ( 0.601 -4.519 0.000) 4.559 3.059 ( -2.711 1.126 0.000) 2.936 3.095 ( -4.389 5.264 0.000) 6.853 3.227 ( 4.423 -3.075 0.000) 5.387 3.298 ( 0.324 1.709 0.000) 1.740 3.605 ( 1.059 5.552 0.000) 5.652 3.891 ( 0.117 -10.068 0.000) 10.069 4.108 ( 0.308 4.064 0.000) 4.076 4.368 ( -0.177 -4.726 0.000) 4.729 4.499 ( -2.371 0.393 0.000) 2.403 4.938 ( 0.890 1.255 0.000) 1.539 5.246 ( 1.467 4.646 0.000) 4.872 5.490 ( 0.013 1.209 0.000) 1.209 7.202 ( -3.770 -5.176 0.000) 6.403 7.395 ( -0.175 -0.262 0.000) 0.315 7.701 ( 3.844 1.532 0.000) 4.138 8.043 ( 3.651 -0.789 0.000) 3.735 8.577 ( 0.134 0.068 0.000) 0.150 8.664 ( -13.156 5.821 0.000) 14.386 9.023 ( 13.592 -4.654 0.000) 14.366 9.456 ( -3.447 -2.748 0.000) 4.408 9.568 ( -2.976 0.761 0.000) 3.072 9.851 ( 1.749 4.996 0.000) 5.293 10.880 ( 0.429 -0.163 0.000) 0.459 10.982 ( -1.112 -2.213 0.000) 2.477 11.319 ( 0.823 0.447 0.000) 0.936 11.870 ( -1.011 -14.587 0.000) 14.622 11.915 ( 0.900 16.061 0.000) 16.086 12.722 ( 0.570 4.991 0.000) 5.024 13.392 ( -0.751 -23.041 0.000) 23.053 13.507 ( 2.223 18.529 0.000) 18.662 13.932 ( -4.824 -6.468 0.000) 8.069 14.695 ( 2.595 1.102 0.000) 2.819 16.362 ( 1.324 0.583 0.000) 1.447 16.505 ( -1.191 0.624 0.000) 1.345 20.988 ( 0.004 -0.131 0.000) 0.131 21.029 ( 0.823 -3.716 0.000) 3.806 21.957 ( -0.376 -0.125 0.000) 0.396 22.480 ( 2.433 2.964 0.000) 3.835 22.631 ( -2.806 2.019 0.000) 3.457 24.031 ( -0.012 -0.201 0.000) 0.201 ======================= Grid point 18 (13/155) ======================= q-point: (-0.30 0.10 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -8.454 2.268 0.000) 8.753 1.561 ( -0.558 16.356 0.000) 16.365 1.751 ( 8.877 -6.629 0.000) 11.079 2.014 ( -0.529 -10.381 0.000) 10.395 2.348 ( 1.859 3.502 0.000) 3.965 2.466 ( 2.321 3.113 0.000) 3.883 2.640 ( -1.197 3.971 0.000) 4.147 2.825 ( -3.970 9.157 0.000) 9.980 2.956 ( -1.784 -4.801 0.000) 5.122 3.129 ( -2.451 -4.353 0.000) 4.996 3.292 ( 0.479 -3.123 0.000) 3.160 3.306 ( 1.390 -3.058 0.000) 3.359 3.425 ( -0.693 10.067 0.000) 10.091 3.940 ( 2.834 7.378 0.000) 7.903 4.204 ( -0.481 -14.210 0.000) 14.218 4.441 ( 4.639 -2.292 0.000) 5.175 4.575 ( -2.261 -8.374 0.000) 8.674 4.938 ( 0.029 -0.882 0.000) 0.882 5.143 ( -3.838 5.414 0.000) 6.636 5.512 ( -0.962 -4.014 0.000) 4.127 7.246 ( 3.503 0.341 0.000) 3.520 7.385 ( -2.377 0.485 0.000) 2.426 7.706 ( 1.816 0.118 0.000) 1.820 8.067 ( 6.029 2.159 0.000) 6.404 8.443 ( -9.883 8.589 0.000) 13.094 8.558 ( -2.192 2.239 0.000) 3.133 9.162 ( 12.816 -0.614 0.000) 12.830 9.463 ( -0.668 1.136 0.000) 1.318 9.551 ( -9.261 -1.194 0.000) 9.338 9.694 ( 0.631 8.828 0.000) 8.850 10.765 ( 0.452 11.270 0.000) 11.279 10.946 ( 0.503 5.181 0.000) 5.205 11.316 ( 0.430 0.848 0.000) 0.951 11.671 ( 0.088 8.760 0.000) 8.761 12.245 ( -1.215 -22.759 0.000) 22.791 12.491 ( -2.206 20.176 0.000) 20.297 13.132 ( 3.337 12.707 0.000) 13.137 13.927 ( 1.917 -25.545 0.000) 25.617 14.035 ( 0.785 -5.237 0.000) 5.295 14.707 ( 0.519 -1.062 0.000) 1.182 16.369 ( 0.366 -0.565 0.000) 0.673 16.476 ( -1.300 1.372 0.000) 1.891 20.996 ( 0.236 -0.598 0.000) 0.643 21.142 ( 5.421 -6.613 0.000) 8.551 21.957 ( -0.318 -0.097 0.000) 0.333 22.460 ( -2.000 -0.838 0.000) 2.168 22.602 ( -4.351 -0.739 0.000) 4.414 24.031 ( 0.174 0.318 0.000) 0.362 ======================= Grid point 19 (14/155) ======================= q-point: (-0.20 0.10 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -4.503 4.056 0.000) 6.060 1.226 ( -1.076 19.551 0.000) 19.580 1.794 ( 5.137 10.604 0.000) 11.782 2.162 ( 0.812 -4.785 0.000) 4.853 2.303 ( 0.632 0.756 0.000) 0.985 2.437 ( 0.812 0.699 0.000) 1.071 2.573 ( -3.868 9.687 0.000) 10.430 2.580 ( -2.662 1.118 0.000) 2.887 3.033 ( 2.885 5.083 0.000) 5.845 3.077 ( -2.727 1.360 0.000) 3.047 3.293 ( 0.993 2.319 0.000) 2.523 3.408 ( -1.566 -7.233 0.000) 7.401 3.471 ( 1.986 -12.384 0.000) 12.542 3.797 ( 0.061 8.774 0.000) 8.774 4.451 ( 2.340 -11.046 0.000) 11.291 4.544 ( 3.149 -6.198 0.000) 6.952 4.702 ( -0.545 -6.022 0.000) 6.046 4.960 ( 0.021 -1.052 0.000) 1.052 5.016 ( -6.297 4.510 0.000) 7.746 5.624 ( -0.712 -8.717 0.000) 8.746 7.205 ( 7.129 9.147 0.000) 11.597 7.370 ( -4.467 -2.329 0.000) 5.038 7.724 ( -0.295 -2.111 0.000) 2.131 7.996 ( 2.925 11.018 0.000) 11.400 8.233 ( -4.104 8.244 0.000) 9.209 8.493 ( 0.156 3.865 0.000) 3.868 9.186 ( 10.649 6.038 0.000) 12.242 9.328 ( -9.879 9.561 0.000) 13.748 9.470 ( -0.340 0.393 0.000) 0.520 9.737 ( 0.114 -8.724 0.000) 8.725 10.534 ( -0.079 12.981 0.000) 12.981 10.844 ( 0.220 5.793 0.000) 5.797 11.267 ( 0.140 4.758 0.000) 4.761 11.572 ( 0.110 3.053 0.000) 3.055 12.035 ( 0.044 25.295 0.000) 25.295 12.640 ( -1.050 -19.974 0.000) 20.001 13.037 ( 1.282 1.686 0.000) 2.118 14.102 ( 0.455 -2.014 0.000) 2.065 14.366 ( 15.672 -16.229 0.000) 22.561 14.736 ( -11.464 -5.666 0.000) 12.788 16.381 ( -0.941 -0.810 0.000) 1.242 16.445 ( -0.087 1.512 0.000) 1.515 21.008 ( 0.156 -0.392 0.000) 0.422 21.342 ( 9.036 -10.206 0.000) 13.631 21.958 ( -0.247 -0.266 0.000) 0.363 22.478 ( -5.601 -3.521 0.000) 6.616 22.587 ( -4.917 -0.509 0.000) 4.943 24.017 ( 0.216 1.429 0.000) 1.445 ======================= Grid point 20 (15/155) ======================= q-point: (-0.10 0.10 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -0.000 13.286 0.000) 13.286 0.844 ( -0.000 21.915 0.000) 21.915 1.406 ( -0.000 31.073 0.000) 31.073 2.162 ( -0.000 5.089 0.000) 5.089 2.268 ( -0.000 3.784 0.000) 3.784 2.431 ( 0.000 -0.258 0.000) 0.258 2.550 ( 0.000 -6.530 0.000) 6.530 2.622 ( 0.000 -5.973 0.000) 5.973 2.888 ( -0.000 5.601 0.000) 5.601 3.068 ( -0.000 2.252 0.000) 2.252 3.282 ( -0.000 0.021 0.000) 0.021 3.563 ( 0.000 -9.390 0.000) 9.390 3.601 ( -0.000 9.137 0.000) 9.137 3.716 ( 0.000 -9.291 0.000) 9.291 4.592 ( 0.000 -3.332 0.000) 3.332 4.699 ( 0.000 -8.837 0.000) 8.837 4.784 ( 0.000 -3.089 0.000) 3.089 4.916 ( -0.000 3.198 0.000) 3.198 4.967 ( -0.000 0.665 0.000) 0.665 5.808 ( 0.000 -11.297 0.000) 11.297 7.013 ( -0.000 13.113 0.000) 13.113 7.409 ( 0.000 -2.864 0.000) 2.864 7.687 ( -0.000 21.355 0.000) 21.355 7.791 ( 0.000 -4.732 0.000) 4.732 8.118 ( -0.000 3.155 0.000) 3.155 8.433 ( -0.000 2.812 0.000) 2.812 9.081 ( -0.000 12.417 0.000) 12.417 9.154 ( -0.000 2.133 0.000) 2.133 9.482 ( 0.000 -1.159 0.000) 1.159 9.929 ( 0.000 -11.468 0.000) 11.468 10.328 ( -0.000 8.990 0.000) 8.990 10.744 ( -0.000 5.142 0.000) 5.142 11.160 ( -0.000 6.944 0.000) 6.944 11.529 ( -0.000 2.517 0.000) 2.517 11.642 ( -0.000 16.825 0.000) 16.825 12.945 ( 0.000 -13.736 0.000) 13.736 13.037 ( 0.000 -0.549 0.000) 0.549 14.116 ( -0.000 0.403 0.000) 0.403 14.665 ( -0.000 1.484 0.000) 1.484 14.812 ( 0.000 -18.785 0.000) 18.785 16.384 ( -0.000 0.083 0.000) 0.083 16.419 ( -0.000 1.305 0.000) 1.305 21.009 ( -0.000 0.240 0.000) 0.240 21.604 ( 0.000 -13.098 0.000) 13.098 21.962 ( 0.000 -0.254 0.000) 0.254 22.519 ( 0.000 -3.826 0.000) 3.826 22.556 ( -0.000 1.443 0.000) 1.443 23.980 ( -0.000 2.709 0.000) 2.709 ======================= Grid point 23 (16/155) ======================= q-point: ( 0.20 0.20 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 18.624 -0.000 0.000) 18.624 0.612 ( 19.852 -0.000 0.000) 19.852 1.059 ( 38.967 -0.000 0.000) 38.967 2.007 ( 3.113 -0.000 0.000) 3.113 2.178 ( 0.171 -0.000 0.000) 0.171 2.213 ( 4.468 -0.000 0.000) 4.468 2.427 ( 1.744 -0.000 0.000) 1.744 2.720 ( -0.223 0.000 0.000) 0.223 2.928 ( -0.365 0.000 0.000) 0.365 3.081 ( -8.612 0.000 0.000) 8.612 3.195 ( 1.001 -0.000 0.000) 1.001 3.581 ( -5.737 0.000 0.000) 5.737 3.615 ( 0.611 -0.000 0.000) 0.611 4.257 ( -18.949 0.000 0.000) 18.949 4.766 ( 4.280 -0.000 0.000) 4.280 4.842 ( -1.721 0.000 0.000) 1.721 4.927 ( 2.394 -0.000 0.000) 2.394 4.985 ( 3.644 -0.000 0.000) 3.644 5.279 ( 10.432 -0.000 0.000) 10.432 6.142 ( 2.128 -0.000 0.000) 2.128 6.649 ( -3.319 0.000 0.000) 3.319 7.039 ( -7.304 0.000 0.000) 7.304 7.484 ( -1.502 0.000 0.000) 1.502 7.704 ( -1.677 0.000 0.000) 1.677 7.774 ( -0.542 0.000 0.000) 0.542 8.386 ( 0.426 -0.000 0.000) 0.426 8.597 ( 2.408 -0.000 0.000) 2.408 9.054 ( 1.673 -0.000 0.000) 1.673 9.355 ( 12.038 -0.000 0.000) 12.038 9.872 ( -13.812 0.000 0.000) 13.812 10.475 ( 7.880 -0.000 0.000) 7.880 10.530 ( -6.507 0.000 0.000) 6.507 10.670 ( 1.392 -0.000 0.000) 1.392 10.952 ( 2.969 -0.000 0.000) 2.969 11.356 ( -4.018 0.000 0.000) 4.018 12.695 ( 0.579 -0.000 0.000) 0.579 13.068 ( -2.786 0.000 0.000) 2.786 13.470 ( 0.737 -0.000 0.000) 0.737 14.106 ( 0.860 -0.000 0.000) 0.860 16.360 ( -1.257 0.000 0.000) 1.257 16.411 ( 2.789 -0.000 0.000) 2.789 16.884 ( 0.294 -0.000 0.000) 0.294 20.456 ( -1.119 0.000 0.000) 1.119 20.998 ( 0.014 -0.000 0.000) 0.014 21.974 ( 0.489 -0.000 0.000) 0.489 22.501 ( 0.043 -0.000 0.000) 0.043 23.824 ( 0.078 -0.000 0.000) 0.078 24.274 ( 0.061 -0.000 0.000) 0.061 ======================= Grid point 24 (17/155) ======================= q-point: ( 0.30 0.20 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 12.703 -10.066 0.000) 16.207 0.867 ( 14.924 -10.702 0.000) 18.365 1.327 ( 25.289 -3.610 0.000) 25.546 2.046 ( 0.360 -1.589 0.000) 1.630 2.287 ( 5.089 -10.626 0.000) 11.782 2.348 ( -0.523 -7.164 0.000) 7.183 2.442 ( 1.545 -0.532 0.000) 1.634 2.707 ( -1.590 1.658 0.000) 2.297 2.894 ( -0.306 0.226 0.000) 0.380 3.022 ( -5.237 2.238 0.000) 5.695 3.179 ( 0.619 0.887 0.000) 1.082 3.514 ( -9.833 3.654 0.000) 10.490 3.604 ( 2.630 -0.561 0.000) 2.689 3.979 ( -11.083 12.737 0.000) 16.884 4.676 ( 5.622 12.346 0.000) 13.566 4.829 ( 0.928 2.867 0.000) 3.014 4.896 ( 1.265 4.158 0.000) 4.346 4.986 ( 3.096 1.853 0.000) 3.608 5.228 ( 14.344 0.995 0.000) 14.379 6.056 ( 2.042 9.807 0.000) 10.017 6.687 ( -5.177 -6.122 0.000) 8.017 7.068 ( -9.106 -8.666 0.000) 12.570 7.562 ( 1.285 -11.799 0.000) 11.868 7.778 ( -1.901 -2.876 0.000) 3.448 8.012 ( -8.913 -11.541 0.000) 14.582 8.271 ( 1.805 5.711 0.000) 5.989 8.820 ( -0.423 -14.502 0.000) 14.508 9.255 ( -2.422 -14.176 0.000) 14.382 9.406 ( 11.717 1.842 0.000) 11.861 9.786 ( -11.845 -0.021 0.000) 11.845 10.459 ( 5.517 3.151 0.000) 6.353 10.661 ( -2.080 -5.726 0.000) 6.092 10.859 ( -10.713 -26.197 0.000) 28.303 11.057 ( 2.585 -7.406 0.000) 7.844 11.376 ( -4.257 -5.897 0.000) 7.273 12.813 ( -4.819 -10.507 0.000) 11.560 13.052 ( -3.660 0.101 0.000) 3.661 13.441 ( -3.428 2.326 0.000) 4.142 14.132 ( 1.105 -2.081 0.000) 2.356 16.242 ( 6.824 28.141 0.000) 28.956 16.365 ( -1.179 -1.367 0.000) 1.805 16.611 ( 7.176 13.059 0.000) 14.901 20.677 ( -10.746 -17.724 0.000) 20.728 21.001 ( -0.092 -0.211 0.000) 0.230 21.974 ( 0.365 0.280 0.000) 0.461 22.510 ( -0.098 -0.888 0.000) 0.894 23.822 ( 6.228 6.320 0.000) 8.873 23.996 ( 6.064 19.074 0.000) 20.015 ======================= Grid point 25 (18/155) ======================= q-point: ( 0.40 0.20 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 5.113 -13.418 0.000) 14.359 1.118 ( 12.029 -6.688 0.000) 13.763 1.452 ( 4.507 0.305 0.000) 4.518 2.077 ( -1.776 -2.512 0.000) 3.076 2.356 ( -0.790 3.369 0.000) 3.460 2.438 ( -0.352 1.723 0.000) 1.758 2.578 ( 6.268 -12.022 0.000) 13.558 2.683 ( 0.344 -2.017 0.000) 2.046 2.924 ( 0.457 -0.789 0.000) 0.912 3.027 ( 1.251 -7.762 0.000) 7.863 3.184 ( -2.767 -1.104 0.000) 2.979 3.372 ( -7.380 3.904 0.000) 8.349 3.616 ( 0.056 2.653 0.000) 2.653 3.763 ( -3.670 5.165 0.000) 6.336 4.459 ( 2.010 13.085 0.000) 13.238 4.726 ( 2.469 8.808 0.000) 9.148 4.815 ( -0.149 5.447 0.000) 5.449 4.995 ( 1.293 -0.683 0.000) 1.462 5.327 ( 9.862 -1.035 0.000) 9.916 5.869 ( 2.132 11.215 0.000) 11.416 6.784 ( -5.583 -8.196 0.000) 9.917 7.173 ( -9.552 -8.624 0.000) 12.869 7.807 ( 0.044 -0.694 0.000) 0.695 7.903 ( 4.302 -16.992 0.000) 17.528 8.054 ( -1.199 -5.704 0.000) 5.829 8.288 ( -3.020 -7.179 0.000) 7.788 8.960 ( -2.353 -1.700 0.000) 2.903 9.408 ( 2.575 -2.264 0.000) 3.429 9.505 ( 7.456 -5.766 0.000) 9.425 9.730 ( -7.449 -1.544 0.000) 7.607 10.468 ( 4.887 -1.039 0.000) 4.996 10.719 ( -2.872 -3.046 0.000) 4.187 11.188 ( 1.627 -5.104 0.000) 5.357 11.298 ( -8.122 -24.140 0.000) 25.470 11.569 ( -0.855 -19.252 0.000) 19.271 12.938 ( -1.848 -4.744 0.000) 5.091 12.977 ( -1.789 7.733 0.000) 7.937 13.383 ( -15.496 -4.555 0.000) 16.151 14.187 ( 1.480 -2.530 0.000) 2.931 15.653 ( 8.779 36.508 0.000) 37.549 16.390 ( -1.072 -1.747 0.000) 2.049 16.536 ( 4.489 3.139 0.000) 5.478 20.846 ( -9.694 -8.643 0.000) 12.988 21.002 ( -0.333 -0.088 0.000) 0.344 21.968 ( 0.063 0.533 0.000) 0.536 22.526 ( -0.175 -0.783 0.000) 0.802 23.497 ( 14.304 27.605 0.000) 31.091 23.949 ( -1.080 -3.217 0.000) 3.394 ======================= Grid point 26 (19/155) ======================= q-point: ( 0.50 0.20 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 6.121 -3.561 0.000) 7.082 1.271 ( 0.239 -7.977 0.000) 7.980 1.433 ( -3.509 -1.275 0.000) 3.734 2.106 ( -0.945 -0.975 0.000) 1.358 2.281 ( -0.952 1.922 0.000) 2.145 2.386 ( -0.230 3.277 0.000) 3.285 2.680 ( 0.880 -1.680 0.000) 1.896 2.816 ( 2.358 -4.279 0.000) 4.886 3.001 ( 1.288 -6.690 0.000) 6.813 3.144 ( -7.398 -0.006 0.000) 7.398 3.239 ( 4.560 -10.947 0.000) 11.859 3.317 ( 2.325 1.685 0.000) 2.871 3.505 ( -0.813 6.801 0.000) 6.849 3.723 ( -3.950 -2.056 0.000) 4.453 4.254 ( -1.432 9.078 0.000) 9.191 4.562 ( 3.240 10.795 0.000) 11.270 4.693 ( -1.429 7.173 0.000) 7.314 5.004 ( 0.936 0.724 0.000) 1.183 5.375 ( 6.783 1.548 0.000) 6.957 5.695 ( 1.773 9.058 0.000) 9.230 6.909 ( -4.554 -8.973 0.000) 10.062 7.257 ( -7.347 -6.914 0.000) 10.089 7.791 ( 1.289 2.079 0.000) 2.446 7.998 ( 3.699 -0.264 0.000) 3.708 8.360 ( 1.077 -12.913 0.000) 12.958 8.515 ( -2.110 -20.111 0.000) 20.221 8.918 ( -0.508 3.147 0.000) 3.188 9.417 ( 0.505 1.746 0.000) 1.817 9.577 ( -1.967 -0.788 0.000) 2.119 9.805 ( 4.767 -5.952 0.000) 7.626 10.572 ( 2.491 -7.803 0.000) 8.191 10.757 ( -4.662 -4.721 0.000) 6.635 11.272 ( 0.638 -3.563 0.000) 3.620 11.556 ( -0.548 -9.018 0.000) 9.035 12.073 ( 2.178 -32.476 0.000) 32.549 12.719 ( 0.526 19.109 0.000) 19.117 12.961 ( 1.294 2.060 0.000) 2.433 13.448 ( -18.864 -14.475 0.000) 23.778 14.208 ( 1.537 2.996 0.000) 3.367 15.102 ( 4.933 27.520 0.000) 27.959 16.402 ( -0.203 0.049 0.000) 0.209 16.520 ( 2.551 1.322 0.000) 2.874 20.905 ( -5.228 -3.994 0.000) 6.578 20.999 ( -0.516 0.166 0.000) 0.542 21.959 ( -0.176 0.402 0.000) 0.439 22.536 ( 0.299 -0.294 0.000) 0.419 23.103 ( 8.224 23.201 0.000) 24.616 23.996 ( -0.530 -2.163 0.000) 2.227 ======================= Grid point 27 (20/155) ======================= q-point: ( 0.60 0.20 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -7.863 8.619 0.000) 11.666 1.393 ( 4.861 -7.421 0.000) 8.871 1.578 ( -0.399 -12.086 0.000) 12.092 2.054 ( 1.034 7.703 0.000) 7.772 2.317 ( -0.494 -5.702 0.000) 5.724 2.363 ( -0.014 -2.032 0.000) 2.032 2.720 ( 1.054 -2.009 0.000) 2.268 2.812 ( -2.672 2.818 0.000) 3.883 3.064 ( -2.155 1.383 0.000) 2.560 3.136 ( -0.695 -2.266 0.000) 2.370 3.267 ( 3.252 5.215 0.000) 6.146 3.366 ( 2.094 4.554 0.000) 5.013 3.539 ( 3.741 -13.750 0.000) 14.250 3.756 ( -5.167 -2.493 0.000) 5.737 4.141 ( -2.248 0.865 0.000) 2.409 4.394 ( 2.595 8.923 0.000) 9.293 4.554 ( -2.377 6.034 0.000) 6.485 4.981 ( 0.909 2.204 0.000) 2.384 5.357 ( 4.236 4.449 0.000) 6.143 5.564 ( 0.774 6.144 0.000) 6.193 7.041 ( -3.927 -8.348 0.000) 9.225 7.336 ( -3.019 -5.235 0.000) 6.043 7.764 ( 2.521 2.238 0.000) 3.371 8.039 ( 3.588 -1.735 0.000) 3.985 8.526 ( 0.525 -5.736 0.000) 5.760 8.678 ( -8.920 1.368 0.000) 9.024 8.987 ( 9.871 -8.124 0.000) 12.784 9.382 ( -4.321 -0.220 0.000) 4.327 9.571 ( -1.854 0.092 0.000) 1.856 9.909 ( 4.509 -0.872 0.000) 4.592 10.761 ( 0.748 -10.658 0.000) 10.684 10.855 ( -3.152 -8.436 0.000) 9.006 11.322 ( 0.535 -1.320 0.000) 1.424 11.675 ( 0.229 -5.839 0.000) 5.844 12.316 ( 1.322 23.057 0.000) 23.095 12.688 ( 6.985 -24.400 0.000) 25.380 12.923 ( -6.224 -4.962 0.000) 7.960 13.637 ( -7.670 -14.389 0.000) 16.305 14.011 ( -0.108 19.882 0.000) 19.882 14.786 ( 2.546 9.184 0.000) 9.531 16.392 ( 1.228 1.168 0.000) 1.695 16.510 ( -0.128 0.846 0.000) 0.856 20.950 ( -1.627 -3.914 0.000) 4.239 20.992 ( -0.359 0.190 0.000) 0.406 21.953 ( -0.288 0.028 0.000) 0.290 22.541 ( 1.599 0.333 0.000) 1.633 22.776 ( 1.625 15.737 0.000) 15.821 24.020 ( -0.192 -0.911 0.000) 0.931 ======================= Grid point 28 (21/155) ======================= q-point: (-0.30 0.20 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -5.266 7.946 0.000) 9.533 1.596 ( 3.260 -10.799 0.000) 11.280 1.799 ( -0.531 -12.280 0.000) 12.291 1.856 ( 0.680 13.517 0.000) 13.534 2.396 ( 2.058 -0.371 0.000) 2.091 2.448 ( -1.129 -5.843 0.000) 5.951 2.722 ( -0.937 4.913 0.000) 5.002 2.789 ( 0.595 -5.650 0.000) 5.681 3.034 ( -0.532 2.222 0.000) 2.285 3.050 ( -2.510 6.370 0.000) 6.846 3.267 ( 1.683 -2.080 0.000) 2.676 3.300 ( 0.055 2.585 0.000) 2.586 3.617 ( 0.628 9.207 0.000) 9.228 3.892 ( 0.077 -16.735 0.000) 16.735 4.111 ( 0.197 6.197 0.000) 6.200 4.366 ( -0.102 -7.293 0.000) 7.294 4.472 ( -1.352 1.282 0.000) 1.863 4.947 ( 0.408 1.605 0.000) 1.656 5.264 ( 0.938 7.502 0.000) 7.561 5.491 ( -0.003 1.891 0.000) 1.891 7.161 ( -1.909 -6.963 0.000) 7.220 7.392 ( -0.218 -1.447 0.000) 1.463 7.741 ( 1.766 1.864 0.000) 2.568 8.100 ( 3.849 -1.955 0.000) 4.317 8.526 ( -6.954 7.357 0.000) 10.123 8.578 ( 0.082 0.172 0.000) 0.191 9.180 ( 9.602 -5.288 0.000) 10.962 9.384 ( -6.549 -3.775 0.000) 7.559 9.542 ( -0.881 2.092 0.000) 2.270 9.869 ( 0.867 7.210 0.000) 7.262 10.886 ( 0.345 -0.024 0.000) 0.346 10.969 ( -0.745 -3.747 0.000) 3.821 11.328 ( 0.489 0.634 0.000) 0.801 11.860 ( -0.461 -16.283 0.000) 16.290 11.924 ( 0.390 18.670 0.000) 18.675 12.729 ( 0.363 8.356 0.000) 8.364 13.384 ( -0.379 -32.096 0.000) 32.098 13.535 ( 1.621 25.952 0.000) 26.002 13.873 ( -3.165 -11.442 0.000) 11.872 14.725 ( 1.446 1.328 0.000) 1.963 16.380 ( 1.064 0.969 0.000) 1.439 16.488 ( -0.982 0.982 0.000) 1.389 20.989 ( 0.005 -0.255 0.000) 0.255 21.039 ( 0.513 -6.094 0.000) 6.115 21.953 ( -0.237 -0.118 0.000) 0.265 22.522 ( 3.831 5.885 0.000) 7.022 22.584 ( -4.063 2.213 0.000) 4.627 24.030 ( -0.008 -0.325 0.000) 0.325 ======================= Grid point 29 (22/155) ======================= q-point: (-0.20 0.20 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -0.000 1.733 0.000) 1.733 1.558 ( -0.000 16.738 0.000) 16.738 1.810 ( 0.000 -7.364 0.000) 7.364 2.010 ( 0.000 -10.717 0.000) 10.717 2.362 ( -0.000 4.008 0.000) 4.008 2.481 ( -0.000 1.694 0.000) 1.694 2.636 ( -0.000 4.441 0.000) 4.441 2.789 ( -0.000 13.371 0.000) 13.371 2.950 ( 0.000 -7.599 0.000) 7.599 3.110 ( 0.000 -4.058 0.000) 4.058 3.294 ( 0.000 -3.288 0.000) 3.288 3.317 ( 0.000 -2.968 0.000) 2.968 3.422 ( -0.000 10.123 0.000) 10.123 3.959 ( -0.000 8.845 0.000) 8.845 4.200 ( 0.000 -15.860 0.000) 15.860 4.480 ( 0.000 -2.637 0.000) 2.637 4.552 ( 0.000 -10.145 0.000) 10.145 4.940 ( 0.000 -0.674 0.000) 0.674 5.117 ( -0.000 7.996 0.000) 7.996 5.506 ( 0.000 -3.735 0.000) 3.735 7.270 ( 0.000 -5.400 0.000) 5.400 7.367 ( -0.000 4.430 0.000) 4.430 7.719 ( -0.000 0.985 0.000) 0.985 8.126 ( -0.000 1.907 0.000) 1.907 8.355 ( -0.000 8.023 0.000) 8.023 8.549 ( -0.000 2.500 0.000) 2.500 9.278 ( 0.000 -1.075 0.000) 1.075 9.421 ( 0.000 -0.177 0.000) 0.177 9.493 ( -0.000 2.390 0.000) 2.390 9.699 ( -0.000 7.841 0.000) 7.841 10.768 ( -0.000 11.300 0.000) 11.300 10.949 ( -0.000 4.865 0.000) 4.865 11.319 ( -0.000 0.929 0.000) 0.929 11.672 ( -0.000 9.060 0.000) 9.060 12.237 ( 0.000 -23.066 0.000) 23.066 12.477 ( -0.000 20.583 0.000) 20.583 13.154 ( -0.000 13.017 0.000) 13.017 13.937 ( 0.000 -26.541 0.000) 26.541 14.040 ( 0.000 -8.499 0.000) 8.499 14.713 ( -0.000 0.917 0.000) 0.917 16.372 ( -0.000 0.129 0.000) 0.129 16.467 ( -0.000 1.056 0.000) 1.056 20.998 ( 0.000 -0.662 0.000) 0.662 21.181 ( 0.000 -9.094 0.000) 9.094 21.954 ( 0.000 -0.119 0.000) 0.119 22.445 ( -0.000 1.788 0.000) 1.788 22.574 ( 0.000 -0.281 0.000) 0.281 24.032 ( -0.000 0.244 0.000) 0.244 ======================= Grid point 34 (23/155) ======================= q-point: ( 0.30 0.30 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 13.857 -0.000 0.000) 13.857 0.824 ( 13.081 -0.000 0.000) 13.081 1.521 ( 32.129 -0.000 0.000) 32.129 2.061 ( 4.965 -0.000 0.000) 4.965 2.190 ( 2.056 -0.000 0.000) 2.056 2.283 ( 6.514 -0.000 0.000) 6.514 2.457 ( 3.139 -0.000 0.000) 3.139 2.703 ( -2.823 0.000 0.000) 2.823 2.921 ( -0.727 0.000 0.000) 0.727 2.973 ( -7.275 0.000 0.000) 7.275 3.215 ( 1.346 -0.000 0.000) 1.346 3.475 ( -11.145 0.000 0.000) 11.145 3.584 ( -4.568 0.000 0.000) 4.568 4.027 ( -15.760 0.000 0.000) 15.760 4.828 ( -0.676 0.000 0.000) 0.676 4.843 ( 6.482 -0.000 0.000) 6.482 4.961 ( 3.411 -0.000 0.000) 3.411 5.030 ( 3.219 -0.000 0.000) 3.219 5.394 ( 7.454 -0.000 0.000) 7.454 6.168 ( 1.763 -0.000 0.000) 1.763 6.596 ( -4.762 0.000 0.000) 4.762 6.949 ( -6.086 0.000 0.000) 6.086 7.469 ( -0.853 0.000 0.000) 0.853 7.680 ( -1.932 0.000 0.000) 1.932 7.767 ( -0.456 0.000 0.000) 0.456 8.393 ( 0.502 -0.000 0.000) 0.502 8.626 ( 1.952 -0.000 0.000) 1.952 9.090 ( 3.960 -0.000 0.000) 3.960 9.517 ( 12.765 -0.000 0.000) 12.765 9.697 ( -13.204 0.000 0.000) 13.204 10.437 ( -7.762 0.000 0.000) 7.762 10.559 ( 5.349 -0.000 0.000) 5.349 10.688 ( 1.307 -0.000 0.000) 1.307 10.997 ( 4.000 -0.000 0.000) 4.000 11.296 ( -5.268 0.000 0.000) 5.268 12.704 ( 0.841 -0.000 0.000) 0.841 13.031 ( -2.954 0.000 0.000) 2.954 13.480 ( 0.731 -0.000 0.000) 0.731 14.117 ( 0.838 -0.000 0.000) 0.838 16.343 ( -1.370 0.000 0.000) 1.370 16.449 ( 2.837 -0.000 0.000) 2.837 16.888 ( 0.293 -0.000 0.000) 0.293 20.442 ( -1.090 0.000 0.000) 1.090 20.998 ( 0.014 -0.000 0.000) 0.014 21.980 ( 0.464 -0.000 0.000) 0.464 22.501 ( 0.044 -0.000 0.000) 0.044 23.825 ( 0.078 -0.000 0.000) 0.078 24.274 ( 0.061 -0.000 0.000) 0.061 ======================= Grid point 35 (24/155) ======================= q-point: ( 0.40 0.30 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 8.779 -6.413 0.000) 10.872 1.019 ( 8.718 -10.132 0.000) 13.367 1.618 ( 19.092 7.740 0.000) 20.602 2.048 ( 0.015 0.895 0.000) 0.895 2.358 ( 5.396 -4.206 0.000) 6.842 2.385 ( 5.101 -11.200 0.000) 12.307 2.471 ( 3.337 1.265 0.000) 3.569 2.671 ( -3.059 0.649 0.000) 3.127 2.899 ( 0.776 -1.114 0.000) 1.358 2.958 ( -4.142 -1.066 0.000) 4.277 3.176 ( -3.091 2.694 0.000) 4.100 3.392 ( -7.508 1.996 0.000) 7.769 3.586 ( -5.246 -3.002 0.000) 6.045 3.853 ( -7.110 7.231 0.000) 10.140 4.754 ( 5.879 12.652 0.000) 13.952 4.835 ( 0.110 1.365 0.000) 1.370 4.912 ( 1.240 6.120 0.000) 6.244 5.023 ( 2.560 2.682 0.000) 3.708 5.381 ( 9.256 1.535 0.000) 9.382 6.079 ( 1.518 9.576 0.000) 9.695 6.620 ( -4.855 -5.764 0.000) 7.536 6.973 ( -5.555 -6.448 0.000) 8.511 7.563 ( -0.999 -13.705 0.000) 13.742 7.764 ( -0.021 -3.823 0.000) 3.823 7.915 ( -6.199 -11.582 0.000) 13.136 8.303 ( 2.611 6.492 0.000) 6.997 8.809 ( -1.062 -12.961 0.000) 13.004 9.262 ( 3.128 -12.546 0.000) 12.930 9.540 ( 6.522 2.348 0.000) 6.932 9.651 ( -7.125 -1.042 0.000) 7.201 10.498 ( -0.129 -2.979 0.000) 2.982 10.625 ( -2.044 -6.817 0.000) 7.117 10.780 ( -2.842 -14.871 0.000) 15.140 11.102 ( 4.347 -6.701 0.000) 7.988 11.314 ( -5.283 -7.116 0.000) 8.863 12.774 ( -1.702 -6.972 0.000) 7.177 13.008 ( -2.960 0.751 0.000) 3.053 13.420 ( -0.537 6.545 0.000) 6.567 14.145 ( 0.885 -2.341 0.000) 2.502 16.304 ( 3.344 22.444 0.000) 22.692 16.351 ( -0.983 -0.862 0.000) 1.308 16.678 ( 3.558 12.484 0.000) 12.982 20.587 ( -4.295 -13.011 0.000) 13.701 20.999 ( -0.073 -0.084 0.000) 0.111 21.979 ( 0.275 0.444 0.000) 0.522 22.509 ( -0.078 -0.747 0.000) 0.751 23.856 ( 0.844 -2.395 0.000) 2.539 24.062 ( 3.722 20.692 0.000) 21.024 ======================= Grid point 36 (25/155) ======================= q-point: ( 0.50 0.30 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 2.628 -9.530 0.000) 9.886 1.230 ( 5.501 -7.318 0.000) 9.155 1.518 ( 5.008 10.018 0.000) 11.200 2.057 ( -1.162 -2.139 0.000) 2.434 2.353 ( 0.072 4.849 0.000) 4.849 2.434 ( -0.299 1.863 0.000) 1.886 2.613 ( 0.166 -7.222 0.000) 7.224 2.741 ( 7.740 -6.521 0.000) 10.120 2.908 ( -2.926 -1.742 0.000) 3.405 3.038 ( -1.022 -6.305 0.000) 6.387 3.119 ( -5.233 -2.477 0.000) 5.789 3.354 ( 4.103 0.560 0.000) 4.141 3.562 ( -7.785 1.625 0.000) 7.953 3.738 ( -0.270 3.586 0.000) 3.596 4.494 ( 2.743 16.309 0.000) 16.538 4.760 ( 2.567 8.126 0.000) 8.522 4.807 ( -1.013 5.670 0.000) 5.760 5.009 ( 0.853 0.121 0.000) 0.861 5.425 ( 5.211 0.054 0.000) 5.211 5.892 ( 1.338 11.099 0.000) 11.179 6.729 ( -2.909 -8.406 0.000) 8.895 7.071 ( -5.832 -7.891 0.000) 9.812 7.793 ( -1.619 -2.872 0.000) 3.297 7.952 ( 3.637 -18.590 0.000) 18.943 8.035 ( -2.207 -9.508 0.000) 9.761 8.269 ( -0.201 -3.439 0.000) 3.445 8.934 ( -1.625 -1.748 0.000) 2.387 9.452 ( 4.531 -2.721 0.000) 5.286 9.579 ( 1.617 2.485 0.000) 2.965 9.647 ( -3.698 -10.295 0.000) 10.939 10.530 ( 4.750 -0.677 0.000) 4.798 10.671 ( -4.410 -1.999 0.000) 4.841 11.201 ( -1.168 -16.263 0.000) 16.305 11.224 ( -1.877 -14.991 0.000) 15.108 11.560 ( -0.487 -22.290 0.000) 22.295 12.918 ( -0.904 -5.982 0.000) 6.050 12.947 ( -2.629 1.310 0.000) 2.937 13.255 ( -5.422 8.112 0.000) 9.757 14.203 ( 0.931 -2.804 0.000) 2.954 15.733 ( 3.959 36.383 0.000) 36.598 16.378 ( -0.696 -1.883 0.000) 2.008 16.582 ( 2.511 3.407 0.000) 4.232 20.762 ( -3.887 -8.629 0.000) 9.464 20.999 ( -0.184 0.069 0.000) 0.197 21.969 ( 0.018 0.699 0.000) 0.700 22.524 ( -0.104 -0.862 0.000) 0.868 23.624 ( 6.110 27.109 0.000) 27.789 23.938 ( -0.669 -3.634 0.000) 3.695 ======================= Grid point 37 (26/155) ======================= q-point: ( 0.60 0.30 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -2.791 -2.792 0.000) 3.948 1.361 ( 5.733 -2.835 0.000) 6.396 1.409 ( -1.799 -1.330 0.000) 2.237 2.099 ( -0.234 -2.018 0.000) 2.031 2.270 ( -0.520 1.911 0.000) 1.981 2.387 ( 0.174 3.343 0.000) 3.348 2.688 ( 0.339 -2.570 0.000) 2.593 2.829 ( 0.043 0.697 0.000) 0.698 3.017 ( 1.334 -8.276 0.000) 8.383 3.064 ( -4.244 -2.266 0.000) 4.811 3.278 ( 1.539 -12.218 0.000) 12.315 3.379 ( 5.829 2.782 0.000) 6.458 3.469 ( -4.329 2.932 0.000) 5.228 3.684 ( -1.743 0.423 0.000) 1.793 4.247 ( -0.027 11.114 0.000) 11.114 4.602 ( 2.479 10.591 0.000) 10.877 4.672 ( -1.619 7.862 0.000) 8.027 5.011 ( 0.274 0.498 0.000) 0.569 5.435 ( 2.470 1.638 0.000) 2.964 5.711 ( 0.652 9.266 0.000) 9.289 6.871 ( -1.501 -8.436 0.000) 8.569 7.187 ( -3.008 -8.128 0.000) 8.667 7.798 ( 0.088 0.657 0.000) 0.663 8.038 ( 1.995 -0.478 0.000) 2.052 8.382 ( 1.951 -10.535 0.000) 10.714 8.472 ( -3.387 -20.459 0.000) 20.737 8.925 ( 0.791 -0.552 0.000) 0.964 9.427 ( 0.754 5.528 0.000) 5.580 9.548 ( -1.717 -0.979 0.000) 1.976 9.852 ( 2.046 -8.627 0.000) 8.866 10.610 ( 2.835 -5.590 0.000) 6.268 10.698 ( -3.831 -5.393 0.000) 6.615 11.279 ( 0.322 -3.191 0.000) 3.207 11.551 ( -0.243 -11.076 0.000) 11.079 12.096 ( 1.125 -34.290 0.000) 34.309 12.717 ( -0.408 17.892 0.000) 17.897 12.998 ( 3.340 7.332 0.000) 8.057 13.260 ( -9.221 -18.157 0.000) 20.364 14.222 ( 0.578 3.043 0.000) 3.097 15.144 ( 1.674 28.330 0.000) 28.379 16.400 ( -0.077 -0.719 0.000) 0.723 16.543 ( 0.955 2.335 0.000) 2.523 20.862 ( -1.570 -4.878 0.000) 5.125 20.995 ( -0.152 0.251 0.000) 0.294 21.957 ( -0.084 0.503 0.000) 0.510 22.538 ( 0.123 -0.741 0.000) 0.751 23.171 ( 2.577 24.808 0.000) 24.941 23.991 ( -0.197 -2.301 0.000) 2.310 ======================= Grid point 38 (27/155) ======================= q-point: ( 0.70 0.30 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -0.000 9.076 0.000) 9.076 1.432 ( 0.000 -6.913 0.000) 6.913 1.573 ( 0.000 -11.942 0.000) 11.942 2.061 ( -0.000 7.452 0.000) 7.452 2.311 ( 0.000 -6.255 0.000) 6.255 2.368 ( 0.000 -1.973 0.000) 1.973 2.727 ( 0.000 -1.987 0.000) 1.987 2.790 ( -0.000 2.930 0.000) 2.930 3.048 ( -0.000 1.476 0.000) 1.476 3.132 ( 0.000 -1.862 0.000) 1.862 3.291 ( -0.000 5.328 0.000) 5.328 3.379 ( -0.000 5.531 0.000) 5.531 3.569 ( 0.000 -17.347 0.000) 17.347 3.715 ( 0.000 -0.660 0.000) 0.660 4.126 ( -0.000 0.746 0.000) 0.746 4.416 ( -0.000 9.973 0.000) 9.973 4.535 ( -0.000 5.845 0.000) 5.845 4.987 ( -0.000 2.149 0.000) 2.149 5.386 ( -0.000 4.911 0.000) 4.911 5.569 ( -0.000 6.362 0.000) 6.362 7.015 ( 0.000 -8.083 0.000) 8.083 7.315 ( 0.000 -6.323 0.000) 6.323 7.779 ( -0.000 1.562 0.000) 1.562 8.068 ( 0.000 -2.136 0.000) 2.136 8.533 ( 0.000 -5.528 0.000) 5.528 8.612 ( -0.000 2.532 0.000) 2.532 9.060 ( 0.000 -10.906 0.000) 10.906 9.345 ( -0.000 2.246 0.000) 2.246 9.559 ( 0.000 -0.130 0.000) 0.130 9.939 ( 0.000 -0.167 0.000) 0.167 10.769 ( 0.000 -10.243 0.000) 10.243 10.831 ( 0.000 -9.251 0.000) 9.251 11.326 ( 0.000 -1.493 0.000) 1.493 11.676 ( 0.000 -5.440 0.000) 5.440 12.324 ( -0.000 23.438 0.000) 23.438 12.750 ( 0.000 -35.997 0.000) 35.997 12.866 ( -0.000 7.171 0.000) 7.171 13.585 ( 0.000 -18.034 0.000) 18.034 14.011 ( -0.000 21.241 0.000) 21.241 14.803 ( -0.000 9.229 0.000) 9.229 16.401 ( -0.000 0.646 0.000) 0.646 16.508 ( -0.000 1.660 0.000) 1.660 20.940 ( 0.000 -4.658 0.000) 4.658 20.990 ( -0.000 0.183 0.000) 0.183 21.951 ( -0.000 0.082 0.000) 0.082 22.552 ( 0.000 -0.721 0.000) 0.721 22.786 ( -0.000 17.799 0.000) 17.799 24.019 ( 0.000 -0.977 0.000) 0.977 ======================= Grid point 46 (28/155) ======================= q-point: ( 0.40 0.40 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 7.427 -0.000 0.000) 7.427 0.946 ( 6.079 -0.000 0.000) 6.079 1.840 ( 15.990 -0.000 0.000) 15.990 2.121 ( 3.871 -0.000 0.000) 3.871 2.241 ( 5.550 -0.000 0.000) 5.550 2.382 ( 8.866 -0.000 0.000) 8.866 2.519 ( 7.024 -0.000 0.000) 7.024 2.637 ( -7.553 0.000 0.000) 7.553 2.907 ( -1.718 0.000 0.000) 1.718 2.909 ( -2.727 0.000 0.000) 2.727 3.223 ( 0.016 -0.000 0.000) 0.016 3.300 ( -14.741 0.000 0.000) 14.741 3.524 ( -3.993 0.000 0.000) 3.993 3.877 ( -7.508 0.000 0.000) 7.508 4.823 ( -0.143 0.000 0.000) 0.143 4.899 ( 2.242 -0.000 0.000) 2.242 5.019 ( 4.897 -0.000 0.000) 4.897 5.064 ( 1.947 -0.000 0.000) 1.947 5.467 ( 3.845 -0.000 0.000) 3.845 6.185 ( 0.892 -0.000 0.000) 0.892 6.538 ( -3.801 0.000 0.000) 3.801 6.891 ( -2.988 0.000 0.000) 2.988 7.462 ( -0.352 0.000 0.000) 0.352 7.659 ( -1.238 0.000 0.000) 1.238 7.762 ( -0.349 0.000 0.000) 0.349 8.398 ( 0.332 -0.000 0.000) 0.332 8.645 ( 0.972 -0.000 0.000) 0.972 9.152 ( 5.297 -0.000 0.000) 5.297 9.544 ( -10.189 0.000 0.000) 10.189 9.664 ( 9.246 -0.000 0.000) 9.246 10.342 ( -6.382 0.000 0.000) 6.382 10.611 ( 2.687 -0.000 0.000) 2.687 10.702 ( 0.776 -0.000 0.000) 0.776 11.053 ( 4.573 -0.000 0.000) 4.573 11.226 ( -5.412 0.000 0.000) 5.412 12.715 ( 0.712 -0.000 0.000) 0.712 12.998 ( -1.974 0.000 0.000) 1.974 13.487 ( 0.448 -0.000 0.000) 0.448 14.126 ( 0.510 -0.000 0.000) 0.510 16.328 ( -0.864 0.000 0.000) 0.864 16.479 ( 1.738 -0.000 0.000) 1.738 16.891 ( 0.181 -0.000 0.000) 0.181 20.430 ( -0.660 0.000 0.000) 0.660 20.999 ( 0.009 -0.000 0.000) 0.009 21.985 ( 0.275 -0.000 0.000) 0.275 22.502 ( 0.027 -0.000 0.000) 0.027 23.826 ( 0.048 -0.000 0.000) 0.048 24.275 ( 0.037 -0.000 0.000) 0.037 ======================= Grid point 47 (29/155) ======================= q-point: ( 0.50 0.40 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 3.091 -4.709 0.000) 5.633 1.092 ( 2.733 -9.755 0.000) 10.130 1.791 ( 7.164 12.768 0.000) 14.640 2.048 ( -0.046 2.527 0.000) 2.527 2.421 ( 3.043 -2.129 0.000) 3.714 2.434 ( 3.694 -6.472 0.000) 7.452 2.494 ( -2.348 4.192 0.000) 4.804 2.683 ( 5.340 -6.224 0.000) 8.201 2.884 ( -3.119 0.818 0.000) 3.224 2.942 ( 1.602 -5.113 0.000) 5.358 3.086 ( -7.894 4.968 0.000) 9.327 3.351 ( -0.083 -4.631 0.000) 4.631 3.508 ( -4.631 -0.575 0.000) 4.666 3.801 ( -1.603 3.478 0.000) 3.829 4.811 ( 2.834 10.762 0.000) 11.129 4.832 ( -0.527 2.011 0.000) 2.079 4.926 ( 0.724 8.356 0.000) 8.388 5.046 ( 0.943 2.633 0.000) 2.796 5.461 ( 3.172 1.288 0.000) 3.423 6.093 ( 0.555 9.355 0.000) 9.371 6.573 ( -2.031 -6.082 0.000) 6.412 6.926 ( -1.779 -4.997 0.000) 5.304 7.548 ( -0.847 -12.973 0.000) 13.001 7.775 ( 1.299 -6.705 0.000) 6.830 7.854 ( -3.147 -9.054 0.000) 9.585 8.328 ( 1.127 5.834 0.000) 5.942 8.798 ( -0.529 -11.728 0.000) 11.740 9.318 ( 4.373 -12.525 0.000) 13.267 9.496 ( -6.237 -1.632 0.000) 6.447 9.673 ( 3.761 4.014 0.000) 5.501 10.471 ( -2.165 -12.691 0.000) 12.874 10.622 ( 0.569 -0.402 0.000) 0.696 10.760 ( -0.685 -10.213 0.000) 10.236 11.165 ( 5.126 -5.126 0.000) 7.249 11.244 ( -5.408 -9.264 0.000) 10.727 12.762 ( -0.366 -5.090 0.000) 5.103 12.981 ( -1.164 1.096 0.000) 1.598 13.418 ( -0.029 7.670 0.000) 7.670 14.153 ( 0.335 -2.507 0.000) 2.530 16.333 ( 1.245 16.471 0.000) 16.518 16.342 ( -0.531 3.547 0.000) 3.587 16.707 ( 1.088 11.497 0.000) 11.548 20.553 ( -1.189 -11.239 0.000) 11.302 20.999 ( -0.028 -0.006 0.000) 0.028 21.981 ( 0.100 0.547 0.000) 0.556 22.508 ( -0.030 -0.660 0.000) 0.661 23.861 ( 0.109 -3.417 0.000) 3.419 24.091 ( 1.082 18.925 0.000) 18.956 ======================= Grid point 48 (30/155) ======================= q-point: ( 0.60 0.40 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 0.000 -7.799 0.000) 7.799 1.264 ( 0.000 -7.417 0.000) 7.417 1.555 ( -0.000 12.932 0.000) 12.932 2.049 ( 0.000 -2.090 0.000) 2.090 2.354 ( -0.000 6.354 0.000) 6.354 2.432 ( -0.000 1.057 0.000) 1.057 2.612 ( 0.000 -6.668 0.000) 6.668 2.837 ( 0.000 -9.081 0.000) 9.081 2.850 ( -0.000 0.978 0.000) 0.978 3.009 ( 0.000 -0.589 0.000) 0.589 3.097 ( 0.000 -8.948 0.000) 8.948 3.422 ( 0.000 -2.229 0.000) 2.229 3.471 ( -0.000 2.197 0.000) 2.197 3.738 ( -0.000 3.629 0.000) 3.629 4.514 ( -0.000 17.406 0.000) 17.406 4.786 ( -0.000 8.432 0.000) 8.432 4.792 ( -0.000 4.945 0.000) 4.945 5.015 ( -0.000 0.582 0.000) 0.582 5.458 ( -0.000 0.433 0.000) 0.433 5.900 ( -0.000 11.047 0.000) 11.047 6.710 ( 0.000 -8.708 0.000) 8.708 7.032 ( 0.000 -7.314 0.000) 7.314 7.781 ( 0.000 -4.390 0.000) 4.390 7.997 ( 0.000 -23.681 0.000) 23.681 7.999 ( 0.000 -6.402 0.000) 6.402 8.270 ( 0.000 -1.219 0.000) 1.219 8.923 ( 0.000 -1.972 0.000) 1.972 9.510 ( 0.000 -2.249 0.000) 2.249 9.538 ( -0.000 1.491 0.000) 1.491 9.647 ( 0.000 -9.745 0.000) 9.745 10.575 ( 0.000 -1.436 0.000) 1.436 10.626 ( 0.000 -0.989 0.000) 0.989 11.181 ( 0.000 -28.613 0.000) 28.613 11.225 ( 0.000 -2.675 0.000) 2.675 11.557 ( 0.000 -23.862 0.000) 23.862 12.918 ( 0.000 -13.074 0.000) 13.074 12.922 ( -0.000 5.787 0.000) 5.787 13.223 ( -0.000 12.765 0.000) 12.765 14.209 ( 0.000 -2.914 0.000) 2.914 15.758 ( -0.000 36.261 0.000) 36.261 16.373 ( 0.000 -1.961 0.000) 1.961 16.598 ( -0.000 3.449 0.000) 3.449 20.739 ( 0.000 -8.554 0.000) 8.554 20.998 ( -0.000 0.118 0.000) 0.118 21.969 ( -0.000 0.767 0.000) 0.767 22.523 ( 0.000 -0.894 0.000) 0.894 23.662 ( -0.000 26.902 0.000) 26.902 23.933 ( 0.000 -3.873 0.000) 3.873 ======================= Grid point 59 (31/155) ======================= 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.000 -0.000 0.000) 0.000 0.984 ( 0.000 -0.000 0.000) 0.000 1.933 ( 0.000 -0.000 0.000) 0.000 2.147 ( 0.000 -0.000 0.000) 0.000 2.287 ( 0.000 -0.000 0.000) 0.000 2.481 ( 0.000 -0.000 0.000) 0.000 2.545 ( 0.000 -0.000 0.000) 0.000 2.595 ( 0.000 -0.000 0.000) 0.000 2.884 ( 0.000 -0.000 0.000) 0.000 2.894 ( 0.000 -0.000 0.000) 0.000 3.182 ( 0.000 -0.000 0.000) 0.000 3.221 ( 0.000 -0.000 0.000) 0.000 3.497 ( 0.000 -0.000 0.000) 0.000 3.830 ( 0.000 -0.000 0.000) 0.000 4.822 ( 0.000 -0.000 0.000) 0.000 4.912 ( 0.000 -0.000 0.000) 0.000 5.055 ( 0.000 -0.000 0.000) 0.000 5.077 ( 0.000 -0.000 0.000) 0.000 5.492 ( 0.000 -0.000 0.000) 0.000 6.190 ( 0.000 -0.000 0.000) 0.000 6.512 ( 0.000 -0.000 0.000) 0.000 6.872 ( 0.000 -0.000 0.000) 0.000 7.460 ( 0.000 -0.000 0.000) 0.000 7.650 ( 0.000 -0.000 0.000) 0.000 7.760 ( 0.000 -0.000 0.000) 0.000 8.400 ( 0.000 -0.000 0.000) 0.000 8.651 ( 0.000 -0.000 0.000) 0.000 9.196 ( 0.000 -0.000 0.000) 0.000 9.468 ( 0.000 -0.000 0.000) 0.000 9.728 ( 0.000 -0.000 0.000) 0.000 10.296 ( 0.000 -0.000 0.000) 0.000 10.628 ( 0.000 -0.000 0.000) 0.000 10.707 ( 0.000 -0.000 0.000) 0.000 11.095 ( 0.000 -0.000 0.000) 0.000 11.178 ( -0.000 0.000 0.000) 0.000 12.720 ( 0.000 -0.000 0.000) 0.000 12.984 ( 0.000 -0.000 0.000) 0.000 13.490 ( 0.000 -0.000 0.000) 0.000 14.130 ( 0.000 -0.000 0.000) 0.000 16.322 ( 0.000 -0.000 0.000) 0.000 16.490 ( 0.000 -0.000 0.000) 0.000 16.892 ( 0.000 -0.000 0.000) 0.000 20.426 ( 0.000 -0.000 0.000) 0.000 20.999 ( 0.000 -0.000 0.000) 0.000 21.987 ( 0.000 -0.000 0.000) 0.000 22.502 ( 0.000 -0.000 0.000) 0.000 23.827 ( 0.000 -0.000 0.000) 0.000 24.275 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 107 (32/155) ======================= q-point: ( 0.00 0.00 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 0.000 0.000 15.365) 15.365 0.483 ( 0.000 0.000 22.734) 22.734 0.849 ( 0.000 0.000 38.460) 38.460 1.968 ( 0.000 0.000 -0.952) 0.952 2.237 ( 0.000 0.000 7.922) 7.922 2.407 ( 0.000 0.000 1.275) 1.275 2.712 ( 0.000 0.000 -0.890) 0.890 2.785 ( 0.000 0.000 -1.768) 1.768 3.062 ( 0.000 0.000 8.427) 8.427 3.097 ( 0.000 0.000 -1.957) 1.957 3.154 ( 0.000 0.000 1.326) 1.326 3.389 ( 0.000 0.000 6.259) 6.259 3.480 ( 0.000 0.000 -2.432) 2.432 3.901 ( 0.000 0.000 -3.077) 3.077 4.538 ( 0.000 0.000 -4.473) 4.473 4.664 ( 0.000 0.000 -7.737) 7.737 4.840 ( 0.000 0.000 -3.501) 3.501 4.868 ( 0.000 0.000 -5.108) 5.108 5.141 ( 0.000 0.000 -1.760) 1.760 6.073 ( 0.000 0.000 -3.249) 3.249 7.198 ( 0.000 0.000 4.674) 4.674 7.515 ( 0.000 0.000 0.856) 0.856 7.610 ( 0.000 0.000 -0.388) 0.388 7.744 ( 0.000 0.000 1.658) 1.658 7.750 ( 0.000 0.000 -3.241) 3.241 8.659 ( 0.000 0.000 8.620) 8.620 8.664 ( 0.000 0.000 26.676) 26.676 8.977 ( 0.000 0.000 -6.121) 6.121 9.524 ( 0.000 0.000 1.380) 1.380 10.148 ( 0.000 0.000 2.301) 2.301 10.201 ( 0.000 0.000 -3.855) 3.855 10.292 ( 0.000 0.000 11.110) 11.110 10.905 ( 0.000 0.000 5.013) 5.013 11.516 ( 0.000 0.000 10.068) 10.068 12.666 ( 0.000 0.000 -2.316) 2.316 13.084 ( 0.000 0.000 -2.354) 2.354 13.227 ( 0.000 0.000 2.631) 2.631 14.027 ( 0.000 0.000 -6.489) 6.489 14.551 ( 0.000 0.000 5.437) 5.437 15.172 ( 0.000 0.000 -2.216) 2.216 16.327 ( 0.000 0.000 -3.511) 3.511 16.333 ( 0.000 0.000 -5.013) 5.013 20.483 ( 0.000 0.000 0.936) 0.936 21.755 ( 0.000 0.000 -14.025) 14.025 21.974 ( 0.000 0.000 0.709) 0.709 22.566 ( 0.000 0.000 -3.721) 3.721 22.827 ( 0.000 0.000 12.153) 12.153 23.813 ( 0.000 0.000 -0.966) 0.966 ======================= Grid point 108 (33/155) ======================= q-point: ( 0.10 0.00 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 5.111 -7.782 14.925) 17.590 0.568 ( 9.970 -9.837 13.685) 19.582 1.067 ( 3.476 -25.066 24.267) 35.061 2.019 ( 0.676 -4.900 -2.431) 5.512 2.290 ( -1.344 -3.794 6.211) 7.401 2.421 ( 1.407 -0.344 0.198) 1.462 2.718 ( -4.151 1.882 3.674) 5.854 2.739 ( -0.953 1.277 3.067) 3.456 2.904 ( 2.650 8.425 -1.216) 8.915 3.001 ( -3.423 1.411 3.196) 4.891 3.339 ( -3.023 -2.444 3.575) 5.281 3.401 ( 1.738 -7.067 0.400) 7.289 3.525 ( 3.434 1.153 -7.170) 8.034 3.856 ( 2.943 5.721 -3.174) 7.174 4.555 ( -2.025 -0.787 -3.598) 4.203 4.700 ( 0.490 -2.589 -7.022) 7.500 4.815 ( 4.018 3.631 -2.834) 6.113 4.866 ( 2.050 -0.011 -4.130) 4.611 5.072 ( -0.261 4.491 1.746) 4.825 6.066 ( -0.270 4.168 -0.528) 4.210 7.075 ( -2.379 12.512 14.176) 19.057 7.362 ( -4.920 -13.244 5.834) 15.286 7.492 ( 3.969 0.815 1.307) 4.257 7.787 ( -1.014 -3.269 -3.493) 4.890 8.191 ( -2.735 -13.026 -8.383) 15.730 8.416 ( 2.885 10.154 19.076) 21.802 8.952 ( -0.829 -15.328 13.651) 20.542 9.142 ( 3.380 -10.111 -4.412) 11.538 9.497 ( -5.142 0.589 2.221) 5.632 10.079 ( -6.269 6.547 -1.503) 9.188 10.331 ( 0.698 -8.770 2.777) 9.226 10.368 ( 4.453 -10.844 -0.460) 11.732 10.992 ( 0.142 -8.073 3.665) 8.867 11.545 ( -1.214 -3.807 9.593) 10.392 12.182 ( -7.430 30.108 27.030) 41.138 13.033 ( -3.150 0.565 -0.373) 3.222 13.155 ( -3.044 4.947 2.568) 6.351 14.036 ( -1.748 -1.188 -5.840) 6.210 14.335 ( -58.742 -12.881 10.223) 61.001 15.323 ( 52.542 19.768 -11.091) 57.223 16.331 ( -0.503 -0.613 -4.872) 4.936 16.347 ( 2.227 -0.480 -4.838) 5.347 20.689 ( -1.581 -13.321 -11.578) 17.720 21.574 ( -29.023 3.673 -5.466) 29.761 21.974 ( 0.156 0.065 0.693) 0.713 22.610 ( 11.721 2.236 0.166) 11.934 22.835 ( 26.183 9.531 3.496) 28.082 23.871 ( -0.080 -4.332 -3.005) 5.273 ======================= Grid point 109 (34/155) ======================= q-point: ( 0.20 0.00 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 8.448 -10.792 3.497) 14.145 0.870 ( 7.708 -16.654 4.459) 18.885 1.543 ( -2.932 -22.482 12.365) 25.825 2.127 ( 0.811 -5.180 -3.062) 6.071 2.339 ( -1.275 -2.737 0.430) 3.050 2.406 ( 0.856 2.158 0.190) 2.329 2.602 ( -3.170 4.555 7.021) 8.949 2.708 ( 4.417 4.904 4.506) 7.992 2.894 ( 2.357 -4.827 0.147) 5.373 3.012 ( -1.334 -3.456 -0.287) 3.715 3.309 ( -4.682 0.346 1.928) 5.075 3.465 ( 3.306 5.318 -3.704) 7.275 3.524 ( -2.224 -0.707 -4.437) 5.013 3.780 ( 2.359 1.410 2.445) 3.678 4.505 ( -7.395 2.595 -2.594) 8.255 4.661 ( -0.502 6.305 -2.500) 6.802 4.776 ( 3.245 4.063 -2.463) 5.753 4.946 ( 7.989 -3.633 -3.393) 9.410 5.016 ( 2.294 2.255 -0.067) 3.218 5.910 ( -0.348 10.714 5.248) 11.936 7.029 ( -4.632 -5.405 4.890) 8.636 7.401 ( -3.014 0.083 1.345) 3.301 7.750 ( 1.676 -15.331 1.190) 15.468 7.823 ( 0.861 -2.908 0.413) 3.061 8.265 ( -3.944 -4.810 11.168) 12.784 8.402 ( 3.314 -3.304 4.944) 6.808 9.168 ( -2.740 -8.579 10.474) 13.813 9.296 ( 5.737 -4.267 4.274) 8.329 9.465 ( -2.763 -1.107 1.284) 3.242 9.920 ( -3.345 6.618 2.493) 7.823 10.456 ( 1.818 -7.434 10.113) 12.683 10.650 ( -0.303 -13.444 -6.897) 15.113 11.154 ( 0.810 -8.865 2.672) 9.294 11.628 ( -2.870 -4.346 8.430) 9.909 11.859 ( -3.035 -0.413 19.919) 20.153 12.982 ( -0.306 9.910 2.574) 10.243 13.028 ( -1.229 2.095 0.353) 2.454 14.037 ( -7.704 -2.088 -4.041) 8.946 14.254 ( -29.599 -7.320 3.783) 30.724 15.147 ( 26.128 23.932 -5.280) 35.823 16.344 ( -0.254 -1.069 -6.269) 6.365 16.360 ( 2.995 1.156 -5.262) 6.164 20.843 ( -1.629 -5.623 -10.529) 12.047 21.337 ( -19.885 4.784 -3.431) 20.738 21.972 ( 0.130 0.227 0.702) 0.749 22.615 ( 8.256 3.991 2.407) 9.481 22.805 ( 18.839 9.313 1.563) 21.073 23.939 ( -0.421 -3.204 -2.957) 4.381 ======================= Grid point 110 (35/155) ======================= q-point: ( 0.30 0.00 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 9.937 -3.278 2.852) 10.846 1.226 ( 2.821 -17.492 -0.825) 17.737 1.761 ( -11.649 -6.351 7.241) 15.115 2.143 ( -0.966 3.927 -0.759) 4.115 2.375 ( -0.620 -2.498 3.073) 4.009 2.421 ( 2.083 -2.450 -3.665) 4.876 2.561 ( -0.244 -1.697 3.078) 3.523 2.713 ( 2.177 -3.798 3.818) 5.809 2.943 ( -2.373 0.377 -4.274) 4.903 3.127 ( 7.235 -4.703 1.873) 8.830 3.263 ( 0.497 4.042 -6.011) 7.261 3.377 ( -1.695 5.782 -1.497) 6.208 3.454 ( 0.476 1.403 4.164) 4.419 3.856 ( -0.502 -6.782 5.337) 8.645 4.396 ( -7.952 3.281 0.378) 8.611 4.517 ( 0.889 8.816 0.862) 8.903 4.697 ( 0.268 5.725 -1.161) 5.847 4.951 ( 0.944 3.716 -2.061) 4.353 5.088 ( 10.288 -2.368 -4.072) 11.316 5.726 ( 0.354 8.726 6.168) 10.692 7.116 ( -6.714 -7.496 1.814) 10.225 7.402 ( -0.707 -1.047 -0.323) 1.304 7.744 ( -0.475 4.549 -0.923) 4.666 8.046 ( 0.185 -10.036 5.170) 11.291 8.427 ( 2.259 -7.137 12.788) 14.818 8.510 ( 1.491 -10.266 1.852) 10.538 9.206 ( -6.822 0.540 11.840) 13.675 9.395 ( 0.229 -5.704 -0.175) 5.711 9.547 ( 5.021 -6.663 4.325) 9.398 9.807 ( 1.179 5.160 7.803) 9.429 10.632 ( -0.276 -11.086 9.102) 14.347 10.827 ( -0.972 -7.356 -0.870) 7.471 11.315 ( 0.966 -7.655 4.849) 9.113 11.644 ( -1.465 -2.079 7.983) 8.378 12.111 ( 0.783 -22.638 7.049) 23.723 12.712 ( 2.179 18.864 4.310) 19.472 13.018 ( -3.045 -1.606 0.820) 3.539 14.006 ( -12.440 -1.494 -2.077) 12.701 14.171 ( -9.695 4.205 -0.408) 10.576 14.871 ( 11.211 17.663 -2.078) 21.024 16.333 ( 0.715 2.213 -6.302) 6.718 16.376 ( 1.821 -1.135 -7.188) 7.501 20.900 ( -1.055 -2.122 -7.628) 7.988 21.153 ( -11.457 4.335 -3.075) 12.629 21.968 ( 0.021 0.219 0.717) 0.750 22.573 ( 8.216 6.342 0.323) 10.384 22.755 ( 7.874 5.190 4.635) 10.508 23.980 ( -0.410 -1.646 -2.871) 3.335 ======================= Grid point 111 (36/155) ======================= q-point: ( 0.40 0.00 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 11.104 -4.099 3.943) 12.476 1.502 ( -3.983 -9.746 -3.599) 11.127 1.700 ( -7.951 0.458 7.217) 10.748 2.018 ( 0.380 8.949 -0.171) 8.958 2.431 ( -2.722 -5.145 1.067) 5.917 2.485 ( -1.266 -3.390 7.464) 8.295 2.621 ( 2.796 -3.056 -1.360) 4.359 2.810 ( -1.019 -0.765 -2.336) 2.661 2.906 ( 0.796 -1.525 -7.501) 7.696 3.135 ( -1.780 4.750 -5.855) 7.747 3.184 ( 2.683 6.007 -2.140) 6.918 3.294 ( 2.341 1.588 -1.147) 3.052 3.539 ( 3.793 -6.193 6.784) 9.938 3.977 ( -2.647 -6.923 7.854) 10.799 4.284 ( -3.227 5.426 6.041) 8.738 4.400 ( -0.781 2.560 1.696) 3.168 4.578 ( -0.340 6.896 -0.822) 6.954 4.885 ( 1.163 3.669 -4.887) 6.221 5.176 ( 5.891 -1.488 -3.285) 6.908 5.609 ( 0.726 4.531 6.008) 7.560 7.216 ( -4.571 -7.413 2.211) 8.985 7.402 ( -0.598 1.216 -0.322) 1.393 7.662 ( -0.070 3.607 -1.719) 3.997 8.192 ( 0.128 -6.525 9.794) 11.770 8.464 ( -1.213 0.772 -0.842) 1.666 8.750 ( 8.145 -9.061 6.914) 14.009 9.108 ( -8.550 3.995 9.393) 13.314 9.494 ( -1.452 -4.808 5.120) 7.172 9.711 ( 0.210 -3.378 7.221) 7.975 9.761 ( 6.731 -1.354 6.326) 9.336 10.829 ( -0.794 -9.861 6.706) 11.952 10.942 ( -1.059 -6.242 1.424) 6.489 11.411 ( 0.099 -2.185 8.950) 9.214 11.732 ( -0.324 -8.735 6.501) 10.894 12.327 ( 1.406 20.380 5.567) 21.173 12.568 ( 4.497 -17.629 3.340) 18.497 13.087 ( -5.073 -11.613 0.963) 12.709 13.880 ( -5.920 15.340 0.102) 16.443 13.985 ( -2.359 5.206 -3.005) 6.457 14.702 ( 2.092 5.481 -1.055) 5.961 16.296 ( 0.189 1.839 -6.874) 7.118 16.407 ( 1.426 -0.896 -8.397) 8.565 20.921 ( -0.170 -0.899 -5.582) 5.656 21.035 ( -5.552 2.691 -3.034) 6.875 21.966 ( -0.025 -0.001 0.681) 0.681 22.506 ( 5.188 5.066 -0.909) 7.308 22.722 ( 2.146 1.949 6.746) 7.343 23.996 ( -0.235 -0.497 -2.893) 2.945 ======================= Grid point 112 (37/155) ======================= q-point: (-0.50 0.00 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 0.000 -0.000 4.809) 4.809 1.462 ( -0.000 -0.000 0.975) 0.975 1.822 ( -0.000 -0.000 -0.037) 0.037 1.843 ( 0.000 0.000 2.365) 2.365 2.487 ( 0.000 -0.000 0.362) 0.362 2.512 ( 0.000 -0.000 10.834) 10.834 2.687 ( 0.000 -0.000 -1.889) 1.889 2.739 ( 0.000 0.000 -3.749) 3.749 3.001 ( -0.000 -0.000 -10.282) 10.282 3.037 ( -0.000 0.000 -9.068) 9.068 3.127 ( -0.000 -0.000 1.899) 1.899 3.292 ( 0.000 -0.000 -1.218) 1.218 3.625 ( 0.000 -0.000 3.068) 3.068 4.038 ( -0.000 -0.000 11.779) 11.779 4.208 ( 0.000 0.000 8.478) 8.478 4.398 ( 0.000 -0.000 2.374) 2.374 4.488 ( 0.000 -0.000 -1.865) 1.865 4.852 ( 0.000 -0.000 -6.161) 6.161 5.210 ( 0.000 -0.000 -2.892) 2.892 5.570 ( 0.000 -0.000 5.947) 5.947 7.298 ( 0.000 -0.000 5.325) 5.325 7.361 ( 0.000 -0.000 -2.566) 2.566 7.628 ( -0.000 -0.000 -2.656) 2.656 8.265 ( 0.000 -0.000 18.752) 18.752 8.437 ( 0.000 -0.000 -12.091) 12.091 8.903 ( 0.000 -0.000 4.035) 4.035 8.995 ( -0.000 -0.000 12.356) 12.356 9.536 ( 0.000 -0.000 7.025) 7.025 9.702 ( -0.000 -0.000 11.980) 11.980 9.842 ( 0.000 -0.000 1.373) 1.373 10.929 ( 0.000 -0.000 5.136) 5.136 11.006 ( 0.000 -0.000 1.995) 1.995 11.423 ( 0.000 -0.000 10.199) 10.199 11.959 ( -0.000 -0.000 7.465) 7.465 11.974 ( 0.000 0.000 6.625) 6.625 12.743 ( 0.000 -0.000 2.243) 2.243 13.414 ( 0.000 0.000 1.321) 1.321 13.478 ( -0.000 -0.000 -1.192) 1.192 13.943 ( -0.000 -0.000 -2.215) 2.215 14.666 ( 0.000 -0.000 -1.034) 1.034 16.278 ( 0.000 -0.000 -7.169) 7.169 16.421 ( 0.000 -0.000 -8.850) 8.850 20.933 ( 0.000 -0.000 -4.707) 4.707 20.988 ( 0.000 -0.000 -3.179) 3.179 21.966 ( 0.000 -0.000 0.642) 0.642 22.474 ( 0.000 -0.000 -1.023) 1.023 22.711 ( 0.000 -0.000 7.237) 7.237 23.999 ( 0.000 -0.000 -2.905) 2.905 ======================= Grid point 119 (38/155) ======================= q-point: ( 0.10 0.10 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 17.309 -0.000 13.403) 21.892 0.575 ( 12.711 -0.000 18.370) 22.338 0.861 ( 9.004 -0.000 32.713) 33.929 1.977 ( 1.333 -0.000 -0.996) 1.664 2.243 ( 0.997 -0.000 7.253) 7.321 2.411 ( -0.801 0.000 1.878) 2.042 2.674 ( -11.454 0.000 13.678) 17.841 2.723 ( 1.593 -0.000 -0.031) 1.593 2.945 ( -4.073 0.000 5.512) 6.854 3.088 ( -2.052 0.000 -2.545) 3.270 3.318 ( -6.313 0.000 5.246) 8.208 3.348 ( 11.091 -0.000 -11.646) 16.083 3.544 ( 5.231 -0.000 -1.790) 5.528 3.944 ( 4.062 -0.000 -10.326) 11.096 4.578 ( 6.518 -0.000 -4.425) 7.878 4.649 ( -1.249 0.000 -7.663) 7.764 4.875 ( 4.635 -0.000 -2.703) 5.365 4.883 ( 2.105 -0.000 -5.392) 5.788 5.132 ( -1.051 0.000 -2.088) 2.337 6.077 ( 0.707 -0.000 -3.710) 3.777 7.169 ( -4.960 0.000 4.677) 6.818 7.370 ( -12.685 0.000 3.471) 13.152 7.683 ( 2.934 -0.000 8.066) 8.583 7.721 ( -1.915 0.000 -0.747) 2.055 7.772 ( 1.758 -0.000 -0.157) 1.765 8.656 ( -0.479 0.000 7.117) 7.133 8.678 ( 1.840 -0.000 26.853) 26.916 8.988 ( 1.748 -0.000 -5.011) 5.307 9.457 ( -7.265 0.000 5.607) 9.177 10.074 ( -13.105 0.000 1.339) 13.173 10.171 ( 2.437 -0.000 -1.630) 2.932 10.398 ( 9.780 -0.000 5.789) 11.365 10.905 ( 0.098 -0.000 5.188) 5.189 11.501 ( -2.437 0.000 9.886) 10.182 12.666 ( 0.107 -0.000 -2.397) 2.399 12.802 ( -67.040 0.000 47.561) 82.197 13.072 ( -1.750 0.000 -2.398) 2.969 13.740 ( -32.378 0.000 28.202) 42.938 14.031 ( 0.636 -0.000 -6.438) 6.469 15.981 ( 51.412 -0.000 -39.030) 64.548 16.319 ( -1.110 0.000 -5.069) 5.189 16.348 ( 2.159 -0.000 -3.425) 4.049 20.478 ( -0.724 0.000 0.926) 1.176 21.371 ( -30.746 0.000 6.867) 31.504 21.975 ( 0.221 -0.000 0.656) 0.692 22.655 ( 1.916 -0.000 10.305) 10.481 23.291 ( 47.848 -0.000 -33.384) 58.343 23.814 ( 0.093 -0.000 -0.940) 0.945 ======================= Grid point 120 (39/155) ======================= q-point: ( 0.20 0.10 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 10.067 -6.377 13.857) 18.276 0.771 ( 18.137 -7.485 9.472) 21.787 1.170 ( 13.012 -18.257 15.481) 27.245 2.036 ( 2.021 -4.819 -2.423) 5.760 2.266 ( -2.014 -2.284 4.145) 5.144 2.436 ( -0.097 -1.136 1.693) 2.041 2.630 ( -5.686 -0.429 11.974) 13.263 2.758 ( 1.998 -0.869 3.110) 3.797 2.921 ( -1.122 -2.024 2.939) 3.741 2.971 ( -0.045 8.639 -3.650) 9.379 3.271 ( -4.303 -0.354 4.181) 6.010 3.454 ( 2.012 -4.577 -6.569) 8.256 3.543 ( -0.029 2.617 -2.853) 3.872 3.895 ( 1.040 6.190 -7.471) 9.758 4.533 ( -0.268 4.560 -5.232) 6.946 4.721 ( 2.678 -0.924 -5.680) 6.348 4.867 ( 3.120 3.301 -2.673) 5.270 4.924 ( 5.768 -2.681 -3.107) 7.079 5.080 ( 2.726 2.929 -0.794) 4.079 6.060 ( -0.477 4.705 -1.170) 4.872 7.026 ( -4.576 9.850 12.953) 16.904 7.272 ( -8.506 -7.916 7.662) 13.918 7.550 ( 4.153 -5.073 2.426) 6.991 7.769 ( -1.423 -3.103 -2.958) 4.517 8.137 ( -5.315 -10.559 -0.894) 11.855 8.467 ( 4.419 7.882 18.118) 20.246 8.939 ( -1.158 -14.839 10.720) 18.343 9.209 ( 5.753 -14.529 -3.322) 15.975 9.405 ( -6.379 0.890 4.674) 7.958 9.960 ( -11.151 2.776 1.208) 11.554 10.328 ( -1.377 -13.018 -7.409) 15.041 10.454 ( 7.588 -2.005 5.413) 9.534 10.995 ( 0.442 -8.362 4.147) 9.344 11.512 ( -4.201 -3.602 9.421) 10.926 12.005 ( -18.165 19.276 39.553) 47.602 12.944 ( -9.945 -7.740 3.094) 12.976 13.094 ( -5.289 -1.836 0.269) 5.605 13.717 ( -26.525 -11.069 14.194) 32.055 14.064 ( 0.197 -3.075 -4.937) 5.820 15.849 ( 27.904 31.174 -18.963) 45.935 16.319 ( -1.329 -0.890 -5.748) 5.966 16.401 ( 5.865 -0.228 -5.957) 8.362 20.651 ( -4.074 -13.304 -8.496) 16.303 21.224 ( -20.286 -0.779 4.211) 20.733 21.976 ( 0.207 0.105 0.607) 0.650 22.660 ( 0.864 0.244 11.384) 11.420 23.304 ( 34.172 20.901 -21.662) 45.539 23.869 ( -0.193 -3.895 -3.020) 4.933 ======================= Grid point 121 (40/155) ======================= q-point: ( 0.30 0.10 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 8.232 -13.319 1.393) 15.719 1.017 ( 14.263 -7.500 5.640) 17.073 1.503 ( -2.646 -12.960 8.497) 15.721 2.135 ( 0.083 -3.339 -0.707) 3.414 2.325 ( -0.594 -5.567 -6.266) 8.403 2.415 ( 0.420 2.219 3.963) 4.561 2.569 ( -1.812 3.538 7.251) 8.269 2.748 ( 1.174 2.838 2.471) 3.942 2.898 ( -0.596 -1.323 -1.125) 1.836 3.043 ( 5.052 -8.291 4.477) 10.692 3.274 ( -0.350 -1.570 3.692) 4.027 3.429 ( -7.492 3.465 -4.418) 9.362 3.528 ( 1.661 2.201 -2.945) 4.035 3.806 ( 1.095 2.040 1.259) 2.635 4.429 ( -3.806 5.286 -2.717) 7.058 4.670 ( 1.683 6.554 -2.416) 7.185 4.801 ( 1.141 5.324 -1.460) 5.637 4.981 ( -0.279 -0.559 -0.845) 1.051 5.131 ( 12.210 -1.667 -4.658) 13.174 5.905 ( -0.298 10.225 3.680) 10.871 6.966 ( -4.654 -3.668 6.819) 9.034 7.321 ( -9.063 -4.571 2.498) 10.453 7.783 ( 2.431 -3.887 -4.055) 6.121 7.843 ( 2.803 -12.322 3.798) 13.195 8.218 ( -3.384 -8.581 7.874) 12.128 8.438 ( 2.496 -0.577 12.808) 13.062 9.137 ( -2.793 -6.608 11.388) 13.459 9.343 ( 0.792 0.476 0.447) 1.027 9.462 ( 4.025 -7.678 1.592) 8.814 9.861 ( -5.652 1.570 3.695) 6.932 10.481 ( 1.688 -5.943 6.518) 8.980 10.644 ( -0.502 -12.268 -5.677) 13.527 11.170 ( 1.723 -9.287 3.475) 10.064 11.569 ( -6.264 -5.227 8.968) 12.124 11.820 ( -2.517 -5.927 21.143) 22.101 12.969 ( -1.823 1.499 0.574) 2.429 13.013 ( -1.067 7.010 1.905) 7.342 13.740 ( -27.559 -10.532 6.241) 30.156 14.126 ( -0.192 -3.097 -3.752) 4.869 15.414 ( 15.914 30.325 -7.235) 35.003 16.332 ( -1.255 -1.267 -6.742) 6.974 16.415 ( 5.042 2.013 -5.317) 7.599 20.809 ( -3.707 -7.059 -9.347) 12.286 21.116 ( -13.035 0.966 0.291) 13.074 21.973 ( 0.015 0.302 0.603) 0.675 22.656 ( 1.017 0.948 10.199) 10.293 23.103 ( 22.501 20.005 -11.233) 32.136 23.932 ( -0.669 -3.235 -2.644) 4.231 ======================= Grid point 122 (41/155) ======================= q-point: ( 0.40 0.10 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 10.409 -3.022 0.946) 10.880 1.265 ( 3.239 -13.072 0.330) 13.471 1.610 ( -10.767 -4.541 7.466) 13.867 2.127 ( -1.315 2.959 -0.498) 3.276 2.359 ( -2.006 0.322 3.050) 3.665 2.443 ( 1.357 -2.301 -2.980) 4.002 2.566 ( 1.090 -4.233 1.942) 4.784 2.743 ( 2.339 -2.158 -0.026) 3.183 2.918 ( -1.712 -0.219 -4.639) 4.950 3.165 ( -1.266 -0.662 -0.483) 1.508 3.294 ( -1.082 2.920 -1.537) 3.473 3.362 ( 5.310 1.241 1.340) 5.615 3.475 ( 2.039 -0.774 4.270) 4.795 3.841 ( -1.912 -4.976 6.115) 8.112 4.309 ( -5.303 4.150 1.036) 6.813 4.539 ( 2.436 8.714 1.089) 9.113 4.692 ( -0.872 6.572 -1.147) 6.728 4.962 ( 0.659 2.587 -2.492) 3.653 5.221 ( 9.883 0.069 -4.539) 10.876 5.733 ( 0.685 8.274 4.808) 9.594 7.041 ( -4.899 -7.347 4.173) 9.767 7.346 ( -7.216 -3.923 -0.556) 8.233 7.755 ( 1.829 4.412 -1.297) 4.949 8.063 ( 2.257 -8.117 5.113) 9.855 8.444 ( 0.643 -4.368 10.278) 11.187 8.535 ( 1.766 -16.064 3.773) 16.596 9.128 ( -5.233 2.542 13.052) 14.290 9.396 ( 0.231 -4.360 0.401) 4.385 9.598 ( 2.383 -5.888 2.610) 6.868 9.832 ( 2.822 1.039 7.637) 8.208 10.631 ( 0.135 -9.906 7.796) 12.607 10.806 ( -2.285 -7.306 0.090) 7.655 11.332 ( 1.686 -6.657 6.158) 9.224 11.622 ( -1.995 -4.619 6.531) 8.244 12.128 ( 1.920 -24.637 7.507) 25.826 12.740 ( 1.701 18.411 3.661) 18.849 12.982 ( -2.057 -0.479 1.038) 2.353 13.752 ( -22.392 -8.556 2.346) 24.085 14.141 ( 0.894 3.134 -4.052) 5.200 14.994 ( 8.037 22.940 -2.276) 24.414 16.332 ( -0.580 1.004 -7.072) 7.166 16.414 ( 3.530 0.789 -6.517) 7.453 20.880 ( -2.116 -3.355 -6.895) 7.954 21.027 ( -7.533 1.436 -1.795) 7.876 21.967 ( -0.182 0.238 0.635) 0.702 22.635 ( 2.541 2.846 7.669) 8.566 22.889 ( 11.114 14.688 -4.793) 19.032 23.974 ( -0.499 -1.814 -2.706) 3.296 ======================= Grid point 123 (42/155) ======================= q-point: ( 0.50 0.10 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 5.745 -2.128 2.250) 6.526 1.424 ( -5.440 -2.918 0.625) 6.205 1.635 ( -2.368 -8.157 5.776) 10.272 2.025 ( 0.602 8.263 -0.861) 8.329 2.386 ( -3.774 -5.604 1.466) 6.913 2.480 ( 0.459 -2.453 8.252) 8.621 2.659 ( 2.920 -2.982 -2.325) 4.778 2.795 ( -1.401 1.199 -3.068) 3.580 2.916 ( 0.586 -3.595 -11.202) 11.779 3.105 ( -2.564 3.483 -2.435) 4.963 3.197 ( -0.134 6.347 -1.959) 6.644 3.326 ( 2.207 3.132 -1.740) 4.208 3.606 ( 6.335 -4.537 6.566) 10.190 3.938 ( -3.325 -7.085 10.662) 13.226 4.230 ( -4.416 0.582 4.197) 6.120 4.410 ( 1.861 6.035 3.723) 7.331 4.562 ( -2.013 6.302 -1.272) 6.737 4.909 ( 2.085 3.714 -4.563) 6.242 5.251 ( 5.621 2.108 -3.740) 7.073 5.619 ( 0.798 4.814 5.270) 7.182 7.158 ( -4.307 -8.428 3.893) 10.234 7.365 ( -4.312 -2.036 -1.346) 4.955 7.688 ( 3.590 4.275 -1.511) 5.784 8.207 ( 1.987 -6.155 11.736) 13.400 8.453 ( -0.496 1.203 -2.668) 2.969 8.810 ( -0.362 -9.404 2.925) 9.855 9.041 ( -0.319 3.225 12.605) 13.015 9.470 ( -2.325 -4.362 5.350) 7.284 9.691 ( -1.995 -2.680 9.259) 9.843 9.858 ( 7.043 -0.159 3.670) 7.944 10.821 ( -0.384 -10.031 6.189) 11.793 10.922 ( -2.027 -7.146 2.680) 7.896 11.415 ( 0.515 -1.797 9.257) 9.443 11.729 ( -0.180 -8.307 5.943) 10.215 12.347 ( 1.609 20.405 4.969) 21.063 12.637 ( 6.243 -17.975 3.417) 19.333 13.018 ( -5.657 -10.174 1.317) 11.715 13.765 ( -10.773 -2.948 0.560) 11.184 13.971 ( -0.294 14.511 -3.935) 15.038 14.740 ( 3.533 8.472 -0.681) 9.205 16.302 ( 0.683 1.824 -7.190) 7.449 16.423 ( 0.984 0.177 -8.108) 8.170 20.919 ( -0.144 -1.872 -4.961) 5.305 20.973 ( -3.869 0.228 -2.894) 4.837 21.964 ( -0.298 -0.063 0.651) 0.719 22.572 ( 5.044 6.797 1.536) 8.603 22.743 ( 0.811 5.020 3.522) 6.186 23.993 ( -0.242 -0.670 -2.832) 2.920 ======================= Grid point 124 (43/155) ======================= q-point: (-0.40 0.10 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -10.093 6.976 5.188) 13.321 1.539 ( 8.217 -7.965 1.080) 11.494 1.820 ( -0.251 -7.066 0.716) 7.107 1.844 ( 0.205 7.401 1.610) 7.577 2.464 ( -2.415 -3.274 -0.031) 4.068 2.537 ( 2.814 -1.166 11.159) 11.568 2.687 ( -0.477 4.917 -2.240) 5.424 2.736 ( -0.164 -3.265 -4.090) 5.236 3.008 ( 1.046 3.245 -8.371) 9.039 3.044 ( 0.964 -3.428 -9.804) 10.431 3.111 ( -2.238 0.713 2.274) 3.269 3.285 ( -0.995 1.761 -1.696) 2.640 3.627 ( 0.239 4.465 2.491) 5.118 4.053 ( 2.120 -4.678 12.120) 13.163 4.196 ( -1.770 1.116 7.638) 7.919 4.400 ( 0.250 -3.543 2.641) 4.426 4.468 ( -2.482 0.419 -1.995) 3.212 4.872 ( 2.433 1.591 -5.113) 5.882 5.212 ( 0.284 4.316 -3.500) 5.565 5.570 ( 0.021 0.664 5.888) 5.925 7.268 ( -3.564 -5.236 5.110) 8.138 7.366 ( 0.255 0.062 -2.313) 2.328 7.657 ( 3.694 1.542 -2.535) 4.738 8.276 ( 1.521 1.301 17.218) 17.334 8.442 ( 0.887 -1.537 -11.109) 11.249 8.801 ( -9.842 3.929 9.931) 14.524 9.095 ( 9.507 -3.856 5.747) 11.759 9.521 ( -2.428 -2.627 7.546) 8.351 9.681 ( -2.456 1.048 12.274) 12.561 9.860 ( 2.026 4.678 1.735) 5.385 10.932 ( 0.452 -0.457 5.165) 5.205 11.001 ( -0.754 -1.182 2.161) 2.576 11.427 ( 0.491 0.219 10.029) 10.044 11.949 ( -1.000 -15.986 7.430) 17.656 11.984 ( 0.877 16.953 6.661) 18.236 12.748 ( 0.681 4.959 2.316) 5.516 13.406 ( -0.935 -24.118 1.099) 24.161 13.495 ( 2.280 19.433 -1.083) 19.596 13.910 ( -4.504 -6.481 -1.969) 8.134 14.684 ( 2.352 1.413 -1.205) 2.997 16.285 ( 0.999 0.447 -7.392) 7.473 16.414 ( -0.904 0.757 -8.653) 8.733 20.930 ( -0.359 0.295 -4.887) 4.909 20.996 ( 1.045 -3.688 -3.086) 4.921 21.964 ( -0.314 -0.140 0.680) 0.762 22.483 ( 1.300 4.277 -1.625) 4.757 22.700 ( -1.611 0.254 7.878) 8.045 23.999 ( -0.007 -0.165 -2.901) 2.906 ======================= Grid point 125 (44/155) ======================= q-point: (-0.30 0.10 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -7.794 3.410 4.924) 9.829 1.526 ( 0.624 15.136 -3.114) 15.465 1.807 ( 7.195 -6.308 5.546) 11.060 2.015 ( -0.248 -9.589 0.242) 9.595 2.452 ( 0.824 3.403 -2.224) 4.148 2.506 ( 1.364 6.208 9.035) 11.047 2.594 ( -1.319 2.901 -0.896) 3.310 2.823 ( 1.017 1.793 -0.893) 2.246 2.901 ( 0.167 0.347 -3.175) 3.198 3.117 ( -4.742 -1.279 -0.825) 4.980 3.164 ( 0.761 -5.866 -9.887) 11.522 3.271 ( -1.286 -3.111 -1.769) 3.803 3.511 ( -0.914 6.117 6.176) 8.740 4.004 ( 1.494 8.099 5.911) 10.137 4.304 ( 0.378 -10.424 8.157) 13.242 4.428 ( 2.754 -1.382 -1.215) 3.312 4.569 ( -1.500 -8.301 -0.370) 8.443 4.889 ( 1.693 -1.935 -3.770) 4.564 5.105 ( -4.956 5.376 -3.675) 8.184 5.601 ( -0.400 -4.357 6.558) 7.883 7.273 ( 4.327 3.880 1.398) 5.978 7.380 ( -3.296 -1.563 0.020) 3.648 7.683 ( 2.237 -2.291 -1.566) 3.565 8.202 ( 1.409 6.496 6.088) 9.014 8.487 ( 2.601 0.291 2.583) 3.677 8.636 ( -8.826 6.539 10.204) 14.993 9.225 ( 8.822 -3.366 4.279) 10.367 9.506 ( 0.318 4.355 5.507) 7.029 9.634 ( -7.777 3.381 8.539) 12.035 9.745 ( 0.817 3.778 7.256) 8.221 10.839 ( 0.702 9.747 7.175) 12.123 10.949 ( 0.185 5.604 0.640) 5.643 11.411 ( 0.144 2.621 8.526) 8.920 11.737 ( 0.276 8.984 6.932) 11.351 12.313 ( -0.769 -21.360 6.214) 22.259 12.524 ( -2.353 18.943 3.127) 19.343 13.142 ( 3.259 12.086 0.775) 12.542 13.914 ( 0.581 -21.938 -2.225) 22.058 14.024 ( 2.628 -8.204 -0.036) 8.615 14.690 ( -0.017 -1.009 -1.713) 1.988 16.296 ( 0.160 -1.044 -7.010) 7.089 16.390 ( -1.131 1.032 -8.284) 8.424 20.923 ( 0.133 0.380 -5.901) 5.915 21.104 ( 4.634 -6.209 -3.760) 8.612 21.964 ( -0.226 -0.119 0.763) 0.804 22.445 ( -3.917 -0.895 -2.233) 4.596 22.696 ( -1.625 -0.761 9.073) 9.248 23.999 ( 0.141 0.354 -2.939) 2.964 ======================= Grid point 126 (45/155) ======================= q-point: (-0.20 0.10 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -4.055 3.979 3.769) 6.818 1.199 ( -1.174 19.625 -0.996) 19.685 1.879 ( 5.569 7.195 7.424) 11.742 2.149 ( 0.070 -3.938 -1.329) 4.156 2.379 ( 0.188 4.397 4.227) 6.103 2.396 ( -1.432 2.563 -5.120) 5.903 2.565 ( 0.163 -0.766 2.169) 2.306 2.694 ( -0.628 6.267 10.025) 11.839 2.978 ( 3.109 0.177 -4.215) 5.241 3.033 ( -6.016 2.631 -1.990) 6.861 3.277 ( 1.471 -6.170 -8.472) 10.584 3.367 ( -1.743 -3.040 1.423) 3.782 3.466 ( 1.117 -4.030 1.969) 4.622 3.857 ( -0.065 8.012 5.329) 9.623 4.479 ( 2.631 -6.246 1.159) 6.876 4.529 ( 3.386 -7.704 -0.185) 8.418 4.681 ( -2.006 -4.798 -2.395) 5.725 4.944 ( 0.234 -1.357 -2.388) 2.756 4.979 ( -5.690 2.524 -2.459) 6.693 5.723 ( -0.092 -9.051 7.018) 11.454 7.199 ( 5.005 8.039 -0.598) 9.489 7.376 ( -3.140 -1.447 0.551) 3.501 7.757 ( 0.819 -4.169 0.397) 4.267 8.055 ( 0.892 11.970 3.589) 12.528 8.395 ( -1.867 7.924 16.059) 18.004 8.500 ( -0.280 6.291 -0.116) 6.298 9.297 ( 6.957 3.019 8.316) 11.254 9.373 ( -3.915 6.757 2.527) 8.207 9.493 ( -2.482 3.742 5.483) 7.087 9.798 ( -0.340 -6.560 7.332) 9.844 10.636 ( 0.204 11.830 9.816) 15.374 10.833 ( 0.179 7.359 -1.253) 7.467 11.307 ( -0.301 8.169 4.079) 9.135 11.658 ( 0.536 0.829 8.831) 8.886 12.106 ( -0.125 21.373 6.717) 22.404 12.691 ( -0.919 -19.003 4.594) 19.572 13.048 ( 1.322 2.086 0.822) 2.603 14.056 ( 0.294 -1.855 -4.635) 5.001 14.377 ( 15.403 -15.705 1.279) 22.035 14.716 ( -11.384 -5.635 -1.818) 12.831 16.318 ( -0.970 -1.439 -6.089) 6.331 16.368 ( -0.043 0.938 -7.348) 7.408 20.909 ( 0.323 1.655 -7.698) 7.880 21.283 ( 6.827 -9.382 -5.689) 12.922 21.967 ( -0.154 -0.243 0.816) 0.865 22.453 ( -7.047 -3.540 -2.743) 8.349 22.702 ( -1.460 -0.910 10.451) 10.591 23.984 ( 0.157 1.535 -2.976) 3.352 ======================= Grid point 127 (46/155) ======================= q-point: (-0.10 0.10 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -0.000 10.470 5.477) 11.816 0.821 ( -0.000 20.428 3.296) 20.692 1.564 ( -0.000 26.326 13.921) 29.780 2.121 ( -0.000 5.464 -4.097) 6.829 2.349 ( -0.000 1.539 4.859) 5.097 2.399 ( 0.000 -2.059 -2.943) 3.592 2.646 ( 0.000 -7.273 2.655) 7.743 2.654 ( 0.000 -2.932 9.989) 10.410 2.871 ( -0.000 5.949 -1.246) 6.078 3.031 ( -0.000 0.684 -1.477) 1.628 3.361 ( -0.000 0.016 6.458) 6.458 3.420 ( 0.000 -7.394 -9.382) 11.945 3.538 ( -0.000 2.796 -4.492) 5.291 3.763 ( 0.000 -0.791 3.725) 3.808 4.569 ( 0.000 -2.047 -1.854) 2.762 4.690 ( 0.000 -7.554 -0.829) 7.599 4.719 ( 0.000 -0.928 -6.326) 6.394 4.880 ( -0.000 2.713 -2.992) 4.039 5.010 ( 0.000 -2.715 1.364) 3.038 5.912 ( 0.000 -10.917 5.857) 12.389 7.064 ( -0.000 6.635 3.958) 7.726 7.413 ( 0.000 -3.330 0.507) 3.369 7.743 ( -0.000 21.195 4.779) 21.727 7.817 ( 0.000 -1.200 -1.560) 1.969 8.303 ( -0.000 0.275 19.173) 19.175 8.368 ( -0.000 7.418 -5.224) 9.073 9.204 ( -0.000 11.293 11.239) 15.932 9.237 ( -0.000 4.006 4.071) 5.711 9.488 ( 0.000 -1.703 1.679) 2.391 9.942 ( 0.000 -8.848 1.888) 9.047 10.443 ( -0.000 8.790 11.241) 14.270 10.651 ( -0.000 13.580 -6.974) 15.266 11.149 ( -0.000 8.736 2.390) 9.057 11.645 ( -0.000 4.343 8.544) 9.585 11.881 ( 0.000 -2.244 18.946) 19.078 12.983 ( 0.000 -13.221 3.318) 13.631 13.037 ( -0.000 0.140 -0.192) 0.237 14.061 ( -0.000 0.902 -5.319) 5.395 14.649 ( -0.000 1.409 -1.050) 1.757 14.808 ( 0.000 -17.932 -0.170) 17.933 16.333 ( 0.000 -0.554 -4.962) 4.993 16.353 ( -0.000 0.801 -6.304) 6.355 20.853 ( -0.000 5.141 -10.628) 11.806 21.508 ( 0.000 -11.196 -9.008) 14.370 21.970 ( 0.000 -0.213 0.794) 0.822 22.487 ( 0.000 -3.491 -3.011) 4.610 22.714 ( 0.000 -1.346 12.860) 12.930 23.942 ( -0.000 3.196 -3.077) 4.436 ======================= Grid point 130 (47/155) ======================= q-point: ( 0.20 0.20 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 9.790 -0.000 19.793) 22.082 0.760 ( 14.850 -0.000 12.610) 19.482 1.157 ( 30.784 -0.000 9.358) 32.175 2.002 ( 2.623 -0.000 -1.491) 3.017 2.266 ( 2.712 -0.000 5.793) 6.396 2.349 ( -8.061 0.000 7.171) 10.789 2.615 ( 1.592 -0.000 14.521) 14.608 2.748 ( 1.935 -0.000 2.270) 2.983 2.919 ( -1.120 0.000 1.783) 2.105 3.033 ( -6.247 0.000 -2.854) 6.868 3.270 ( -1.152 0.000 5.342) 5.465 3.401 ( -1.307 0.000 -12.488) 12.556 3.573 ( -0.954 0.000 -3.588) 3.713 3.941 ( -4.732 0.000 -13.478) 14.284 4.656 ( 2.512 -0.000 -8.108) 8.488 4.685 ( 8.393 -0.000 -6.152) 10.406 4.916 ( 2.960 -0.000 -5.582) 6.319 4.941 ( 5.503 -0.000 -0.641) 5.540 5.130 ( 1.201 -0.000 -5.007) 5.149 6.089 ( 1.075 -0.000 -4.823) 4.941 7.072 ( -8.870 0.000 4.511) 9.951 7.253 ( -6.316 0.000 11.237) 12.891 7.662 ( -5.127 0.000 17.655) 18.385 7.700 ( -1.380 0.000 -0.288) 1.410 7.791 ( 1.056 -0.000 1.226) 1.618 8.647 ( -0.889 0.000 3.622) 3.729 8.699 ( 1.264 -0.000 28.273) 28.301 9.023 ( 3.849 -0.000 -2.517) 4.599 9.416 ( 2.213 -0.000 3.416) 4.070 9.899 ( -14.079 0.000 1.996) 14.220 10.183 ( -1.087 0.000 -6.271) 6.364 10.511 ( 7.779 -0.000 4.773) 9.126 10.908 ( 0.391 -0.000 5.849) 5.862 11.451 ( -5.483 0.000 9.650) 11.098 12.068 ( -39.404 0.000 67.363) 78.041 12.669 ( 0.297 -0.000 -2.629) 2.645 13.042 ( -2.835 0.000 -2.466) 3.757 13.581 ( -3.923 0.000 11.094) 11.767 14.042 ( 0.995 -0.000 -6.313) 6.391 16.300 ( -1.783 0.000 -5.779) 6.048 16.385 ( 3.405 -0.000 -2.651) 4.315 16.393 ( 18.573 -0.000 -34.397) 39.091 20.465 ( -1.145 0.000 0.901) 1.458 21.113 ( -11.911 0.000 4.664) 12.792 21.979 ( 0.336 -0.000 0.518) 0.617 22.664 ( 0.284 -0.000 13.145) 13.148 23.738 ( 22.786 -0.000 -35.314) 42.027 23.815 ( 0.150 -0.000 -0.875) 0.888 ======================= Grid point 131 (48/155) ======================= q-point: ( 0.30 0.20 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 11.633 -5.161 9.413) 15.829 0.979 ( 13.646 -8.608 9.293) 18.619 1.389 ( 19.956 -3.766 5.024) 20.921 2.068 ( 2.861 -4.330 -2.687) 5.844 2.238 ( -2.465 -0.997 1.869) 3.250 2.415 ( -1.853 -4.457 6.100) 7.779 2.605 ( 0.873 1.621 10.201) 10.366 2.765 ( -1.475 1.673 2.660) 3.471 2.919 ( 1.987 -3.083 3.601) 5.140 2.965 ( -1.447 2.066 -1.958) 3.193 3.248 ( -0.221 -0.069 5.156) 5.161 3.413 ( -6.682 -0.368 -8.019) 10.444 3.545 ( -0.857 0.236 -3.814) 3.916 3.864 ( -5.189 3.418 -6.004) 8.640 4.560 ( 4.135 8.536 -6.993) 11.784 4.758 ( 2.641 1.017 -5.303) 6.011 4.900 ( 2.179 4.053 -2.057) 5.040 4.969 ( 1.565 0.143 -1.653) 2.280 5.163 ( 9.232 -2.486 -5.255) 10.910 6.055 ( -0.286 5.478 -2.366) 5.974 6.971 ( -3.798 6.725 11.445) 13.807 7.155 ( -9.323 -3.642 10.747) 14.686 7.587 ( 1.455 -9.567 3.582) 10.318 7.761 ( 0.468 -2.732 -1.022) 2.954 8.060 ( -6.562 -10.592 4.000) 13.086 8.522 ( 4.228 6.994 19.985) 21.591 8.914 ( -3.111 -15.391 8.579) 17.893 9.237 ( -0.296 -14.667 0.169) 14.671 9.422 ( 8.690 1.582 0.964) 8.885 9.809 ( -12.050 -0.157 1.931) 12.205 10.290 ( -4.610 -12.458 -10.194) 16.744 10.546 ( 6.495 -0.119 5.035) 8.219 11.003 ( 0.832 -8.867 5.345) 10.387 11.436 ( -7.313 -2.932 10.424) 13.067 11.796 ( -12.377 4.680 43.982) 45.929 12.831 ( -6.540 -12.321 2.440) 14.161 13.033 ( -4.241 -0.974 -1.567) 4.625 13.532 ( -6.637 2.002 8.652) 11.086 14.075 ( 1.053 -2.646 -5.520) 6.211 16.087 ( 11.639 29.656 -15.555) 35.453 16.299 ( -1.658 -1.135 -6.316) 6.628 16.482 ( 6.188 1.233 -8.157) 10.313 20.596 ( -4.048 -11.767 -4.413) 13.203 21.054 ( -7.851 -0.017 1.611) 8.014 21.979 ( 0.219 0.242 0.462) 0.566 22.666 ( 0.201 0.057 12.812) 12.814 23.633 ( 17.990 19.561 -22.009) 34.506 23.866 ( -0.185 -2.904 -3.341) 4.430 ======================= Grid point 132 (49/155) ======================= q-point: ( 0.40 0.20 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 5.586 -11.001 1.297) 12.406 1.196 ( 12.303 -5.285 6.128) 14.726 1.492 ( 1.447 -0.871 3.945) 4.291 2.126 ( -1.304 -0.975 1.355) 2.118 2.328 ( 1.034 -8.168 -11.248) 13.940 2.413 ( -0.842 3.205 4.617) 5.683 2.555 ( -0.604 2.070 7.989) 8.274 2.749 ( 0.157 -0.509 1.764) 1.842 2.898 ( -0.237 0.791 -2.028) 2.189 3.093 ( 1.683 -6.930 4.451) 8.406 3.266 ( -4.097 -1.998 2.914) 5.410 3.368 ( 2.284 -1.359 3.831) 4.663 3.528 ( -1.718 2.585 -5.980) 6.738 3.800 ( -2.042 0.653 2.708) 3.454 4.412 ( 0.807 9.007 -3.371) 9.651 4.700 ( 2.771 6.543 -2.551) 7.550 4.809 ( 0.078 6.338 -0.904) 6.403 4.975 ( -0.402 -0.485 -2.187) 2.276 5.276 ( 9.871 -1.467 -4.985) 11.155 5.903 ( 0.002 9.624 1.800) 9.791 6.919 ( -2.576 -2.611 8.976) 9.696 7.191 ( -10.384 -6.183 2.519) 12.345 7.795 ( -0.180 -1.948 -1.788) 2.650 7.896 ( 4.748 -14.446 2.210) 15.366 8.173 ( -3.881 -12.232 6.330) 14.310 8.472 ( 3.037 1.447 18.264) 18.571 9.086 ( -5.004 -4.994 10.123) 12.348 9.355 ( 2.391 -2.001 -1.242) 3.356 9.537 ( 5.548 -3.989 0.730) 6.872 9.788 ( -4.978 -4.605 5.343) 8.633 10.485 ( -1.305 -8.979 -0.970) 9.125 10.643 ( 0.620 -7.782 -0.874) 7.855 11.199 ( 2.868 -10.066 4.722) 11.483 11.478 ( -7.480 -7.352 10.007) 14.496 11.799 ( -0.857 -10.222 21.301) 23.642 12.941 ( -2.324 -0.423 -0.417) 2.399 12.997 ( -1.650 2.221 2.599) 3.796 13.455 ( -16.522 -3.328 6.631) 18.111 14.137 ( 1.172 -2.811 -4.782) 5.669 15.569 ( 8.904 32.391 -7.581) 34.437 16.315 ( -1.325 -1.436 -7.095) 7.360 16.478 ( 4.504 2.574 -5.374) 7.469 20.755 ( -4.197 -8.218 -6.244) 11.141 21.005 ( -5.119 0.797 -1.076) 5.291 21.973 ( -0.044 0.457 0.485) 0.668 22.664 ( 0.368 0.373 11.639) 11.650 23.337 ( 13.823 22.959 -13.984) 30.228 23.923 ( -0.648 -3.296 -2.263) 4.051 ======================= Grid point 133 (50/155) ======================= q-point: ( 0.50 0.20 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 0.675 -6.288 -2.221) 6.703 1.329 ( 7.323 -3.552 4.059) 9.095 1.508 ( -4.930 -3.635 7.029) 9.324 2.113 ( -0.781 1.613 -0.405) 1.837 2.328 ( -2.426 1.878 2.684) 4.077 2.457 ( 0.860 -1.853 -1.570) 2.577 2.586 ( 1.822 -5.770 -0.782) 6.101 2.771 ( 1.951 -1.493 -0.916) 2.622 2.890 ( -2.840 -0.116 -5.472) 6.167 3.117 ( -5.119 0.343 -0.042) 5.131 3.271 ( -0.056 1.125 -0.764) 1.361 3.433 ( 1.259 5.835 -4.188) 7.292 3.531 ( 8.288 -8.499 11.913) 16.818 3.806 ( -3.581 -3.474 7.988) 9.418 4.261 ( -2.300 6.452 0.856) 6.903 4.577 ( 3.323 8.729 0.886) 9.382 4.677 ( -1.464 7.461 -1.010) 7.670 4.967 ( 0.026 1.481 -3.287) 3.605 5.330 ( 6.884 1.339 -4.504) 8.335 5.742 ( 0.758 7.941 3.514) 8.717 6.994 ( -2.430 -6.654 6.337) 9.505 7.244 ( -7.774 -6.145 -0.951) 9.955 7.779 ( 1.678 2.964 -0.366) 3.425 8.096 ( 2.491 -7.343 3.621) 8.558 8.454 ( 1.198 -3.782 10.270) 11.010 8.543 ( -0.669 -16.850 4.615) 17.483 9.076 ( -2.870 1.127 11.896) 12.290 9.405 ( 1.178 -1.604 1.344) 2.401 9.606 ( -0.799 -4.015 3.423) 5.336 9.876 ( 3.653 -3.522 6.034) 7.884 10.636 ( 0.585 -8.981 5.640) 10.621 10.771 ( -2.959 -7.102 2.058) 7.964 11.357 ( 1.985 -5.126 7.745) 9.497 11.596 ( -1.943 -8.016 4.861) 9.574 12.158 ( 2.501 -26.910 7.877) 28.150 12.746 ( -0.729 16.801 2.340) 16.979 12.982 ( 2.337 2.613 2.016) 4.043 13.483 ( -18.746 -12.205 3.257) 22.605 14.157 ( 1.235 3.005 -4.786) 5.785 15.077 ( 4.909 25.143 -2.361) 25.727 16.324 ( -0.581 0.020 -7.597) 7.620 16.456 ( 2.850 2.281 -6.110) 7.117 20.849 ( -2.460 -4.881 -4.782) 7.262 20.963 ( -2.844 0.933 -2.980) 4.224 21.964 ( -0.231 0.325 0.566) 0.692 22.657 ( 1.152 0.952 10.222) 10.331 23.008 ( 7.046 19.826 -8.241) 22.597 23.968 ( -0.395 -1.963 -2.550) 3.242 ======================= Grid point 134 (51/155) ======================= q-point: ( 0.60 0.20 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -6.003 4.568 2.282) 7.881 1.436 ( 4.615 -6.205 3.634) 8.544 1.619 ( -0.677 -10.188 4.318) 11.086 2.033 ( 0.592 7.845 -1.554) 8.019 2.344 ( -2.583 -5.165 1.176) 5.893 2.493 ( 1.303 -3.376 8.391) 9.138 2.693 ( 2.173 -2.636 -2.155) 4.039 2.771 ( -2.308 2.945 -3.334) 5.012 2.920 ( 0.112 -5.720 -13.473) 14.638 3.075 ( -1.901 1.493 0.431) 2.455 3.195 ( -0.016 6.498 -1.992) 6.796 3.345 ( 0.804 4.633 -2.738) 5.441 3.683 ( 4.943 -1.034 3.952) 6.413 3.898 ( -2.568 -9.111 15.119) 17.838 4.183 ( -2.663 -0.622 3.722) 4.619 4.440 ( 2.604 7.847 3.735) 9.072 4.532 ( -2.467 6.450 -1.220) 7.013 4.929 ( 0.976 2.622 -4.172) 5.023 5.314 ( 3.793 4.388 -4.311) 7.227 5.627 ( 0.458 5.110 4.684) 6.947 7.111 ( -2.817 -7.779 5.422) 9.892 7.313 ( -3.187 -5.027 -1.987) 6.275 7.734 ( 2.897 3.423 -1.255) 4.657 8.237 ( 2.420 -6.158 11.922) 13.634 8.451 ( 0.129 1.747 -3.573) 3.980 8.759 ( -5.231 -4.594 5.877) 9.110 9.082 ( 4.446 -2.735 7.653) 9.263 9.438 ( -2.401 -2.856 6.798) 7.754 9.669 ( -1.337 -2.383 10.568) 10.915 9.930 ( 4.039 0.774 2.376) 4.750 10.819 ( 0.138 -10.170 5.565) 11.594 10.895 ( -1.929 -8.052 4.158) 9.265 11.422 ( 0.519 -1.576 9.395) 9.540 11.728 ( -0.042 -7.869 5.464) 9.580 12.365 ( 1.103 21.321 4.617) 21.843 12.723 ( 6.747 -22.690 3.221) 23.890 12.944 ( -5.631 -4.807 1.927) 7.651 13.637 ( -8.070 -13.120 0.126) 15.404 13.970 ( 0.007 18.632 -3.835) 19.023 14.782 ( 2.544 9.342 -0.619) 9.702 16.311 ( 0.696 1.127 -7.829) 7.940 16.432 ( 0.358 1.662 -7.535) 7.725 20.917 ( -0.277 -3.640 -3.732) 5.220 20.938 ( -1.559 -0.093 -3.773) 4.084 21.960 ( -0.283 -0.026 0.653) 0.712 22.633 ( 4.312 5.051 4.991) 8.308 22.739 ( -1.260 9.738 -0.323) 9.824 23.991 ( -0.153 -0.807 -2.779) 2.898 ======================= Grid point 135 (52/155) ======================= q-point: (-0.30 0.20 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -4.736 7.490 6.084) 10.748 1.619 ( 3.498 -8.769 1.068) 9.501 1.817 ( -0.168 -10.836 1.712) 10.972 1.847 ( 0.151 11.011 0.593) 11.028 2.439 ( -1.193 -4.959 -1.271) 5.256 2.573 ( 2.302 -1.381 13.303) 13.571 2.669 ( -1.620 5.355 -4.033) 6.897 2.739 ( 0.349 -3.498 -4.275) 5.535 3.027 ( 1.593 2.350 -9.104) 9.536 3.055 ( 0.455 -2.937 -5.572) 6.315 3.079 ( -2.142 1.451 1.189) 2.847 3.273 ( -0.665 3.033 -2.653) 4.084 3.630 ( 0.150 6.644 1.684) 6.856 4.083 ( 1.984 -10.033 13.577) 16.997 4.169 ( -1.838 4.201 5.333) 7.034 4.403 ( 0.213 -5.280 3.045) 6.099 4.441 ( -1.294 1.553 -1.944) 2.805 4.898 ( 1.183 1.233 -3.601) 3.987 5.216 ( 0.272 7.525 -4.531) 8.788 5.570 ( -0.006 1.030 5.793) 5.884 7.230 ( -1.700 -6.623 5.298) 8.650 7.366 ( -0.051 -1.291 -2.283) 2.623 7.698 ( 1.960 1.997 -2.397) 3.685 8.297 ( 1.212 2.376 13.449) 13.710 8.457 ( 1.112 -3.582 -8.862) 9.623 8.698 ( -5.141 5.296 13.165) 15.093 9.195 ( 5.021 -4.799 0.491) 6.963 9.482 ( -2.632 -3.682 10.267) 11.220 9.657 ( -0.967 2.628 12.686) 12.992 9.880 ( 0.938 6.546 1.912) 6.883 10.938 ( 0.380 -0.613 5.259) 5.308 10.991 ( -0.562 -2.032 2.372) 3.173 11.433 ( 0.300 0.343 9.764) 9.775 11.940 ( -0.420 -16.763 7.528) 18.380 11.992 ( 0.342 18.324 6.568) 19.468 12.756 ( 0.433 8.340 2.438) 8.700 13.396 ( -0.435 -31.529 0.946) 31.546 13.523 ( 1.568 24.820 -1.164) 24.897 13.854 ( -2.965 -11.222 -1.565) 11.712 14.711 ( 1.323 1.838 -1.440) 2.683 16.299 ( 0.760 0.699 -7.859) 7.927 16.402 ( -0.702 1.246 -8.228) 8.351 20.926 ( -0.160 0.110 -5.126) 5.130 21.008 ( 0.588 -5.689 -2.992) 6.455 21.960 ( -0.197 -0.167 0.743) 0.787 22.500 ( 0.996 7.634 -3.064) 8.286 22.679 ( -1.189 -0.277 9.380) 9.459 23.999 ( -0.004 -0.267 -2.895) 2.907 ======================= Grid point 136 (53/155) ======================= q-point: (-0.20 0.20 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -0.000 2.933 5.335) 6.089 1.529 ( -0.000 16.294 -2.714) 16.518 1.856 ( 0.000 -7.800 4.890) 9.206 2.013 ( 0.000 -9.852 0.337) 9.857 2.457 ( -0.000 2.807 -5.196) 5.906 2.514 ( -0.000 7.353 11.935) 14.018 2.587 ( -0.000 2.799 -1.865) 3.364 2.831 ( -0.000 1.624 -0.263) 1.645 2.905 ( -0.000 0.366 0.136) 0.391 3.078 ( -0.000 0.756 -2.037) 2.173 3.171 ( 0.000 -5.835 -10.901) 12.365 3.262 ( 0.000 -3.925 -2.009) 4.409 3.506 ( -0.000 5.870 5.874) 8.304 4.014 ( -0.000 8.876 5.128) 10.250 4.305 ( 0.000 -11.493 8.526) 14.310 4.449 ( 0.000 -2.980 -2.277) 3.750 4.555 ( 0.000 -8.460 -0.056) 8.460 4.907 ( 0.000 -1.768 -2.299) 2.900 5.067 ( -0.000 7.892 -4.565) 9.117 5.599 ( 0.000 -4.305 6.747) 8.004 7.319 ( 0.000 -3.418 3.615) 4.975 7.339 ( -0.000 4.403 -2.418) 5.023 7.699 ( 0.000 -1.800 -1.318) 2.231 8.215 ( -0.000 6.205 3.330) 7.042 8.534 ( 0.000 -2.105 0.467) 2.156 8.545 ( -0.000 8.627 15.846) 18.042 9.295 ( 0.000 -4.007 0.069) 4.008 9.504 ( -0.000 3.438 7.065) 7.857 9.575 ( -0.000 5.373 10.845) 12.103 9.751 ( -0.000 4.195 6.906) 8.080 10.844 ( -0.000 9.722 7.409) 12.223 10.950 ( -0.000 5.361 0.355) 5.373 11.413 ( -0.000 2.820 8.313) 8.778 11.739 ( -0.000 9.055 7.092) 11.502 12.308 ( 0.000 -22.015 6.510) 22.958 12.508 ( -0.000 19.769 3.007) 19.996 13.164 ( -0.000 12.277 0.710) 12.298 13.916 ( 0.000 -20.812 -2.858) 21.008 14.040 ( 0.000 -13.531 0.919) 13.562 14.692 ( -0.000 1.084 -2.052) 2.321 16.298 ( 0.000 -0.432 -7.196) 7.209 16.382 ( -0.000 0.792 -8.119) 8.157 20.924 ( -0.000 0.214 -6.000) 6.004 21.137 ( 0.000 -8.098 -4.226) 9.134 21.962 ( 0.000 -0.152 0.826) 0.840 22.418 ( -0.000 1.571 -2.491) 2.945 22.685 ( 0.000 -0.645 9.846) 9.867 24.000 ( -0.000 0.299 -2.956) 2.971 ======================= Grid point 141 (54/155) ======================= q-point: ( 0.30 0.30 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 12.712 -0.000 13.524) 18.561 0.930 ( 11.087 -0.000 9.404) 14.538 1.547 ( 28.398 -0.000 -0.518) 28.402 2.040 ( 3.038 -0.000 -3.015) 4.280 2.247 ( -6.931 0.000 9.364) 11.650 2.318 ( 5.686 -0.000 4.584) 7.304 2.666 ( 5.498 -0.000 11.698) 12.926 2.753 ( -2.403 0.000 4.450) 5.057 2.906 ( -0.926 0.000 1.174) 1.495 2.959 ( -3.533 0.000 -1.434) 3.812 3.267 ( -0.422 0.000 4.658) 4.677 3.337 ( -8.309 0.000 -10.771) 13.604 3.529 ( -4.925 0.000 -4.913) 6.957 3.850 ( -8.192 0.000 -9.198) 12.317 4.705 ( 4.421 -0.000 -9.494) 10.472 4.759 ( 3.032 -0.000 -5.172) 5.995 4.959 ( 3.666 -0.000 -5.573) 6.671 5.012 ( 5.484 -0.000 1.342) 5.645 5.164 ( 3.612 -0.000 -9.990) 10.623 6.103 ( 0.974 -0.000 -6.006) 6.084 6.974 ( -6.045 0.000 4.247) 7.388 7.181 ( -5.464 0.000 19.794) 20.535 7.586 ( -5.636 0.000 17.771) 18.644 7.688 ( -0.413 0.000 1.013) 1.094 7.797 ( -0.044 0.000 2.309) 2.310 8.635 ( -0.847 0.000 0.217) 0.874 8.709 ( 0.447 -0.000 29.096) 29.100 9.086 ( 5.946 -0.000 -0.205) 5.950 9.504 ( 10.216 -0.000 -1.473) 10.321 9.720 ( -13.671 0.000 1.838) 13.794 10.139 ( -5.640 0.000 -9.235) 10.821 10.595 ( 5.263 -0.000 4.378) 6.846 10.916 ( 0.844 -0.000 7.038) 7.089 11.367 ( -6.858 0.000 10.326) 12.396 11.753 ( -13.523 0.000 55.625) 57.245 12.674 ( 0.496 -0.000 -2.972) 3.013 13.004 ( -2.898 0.000 -2.447) 3.792 13.554 ( -1.044 0.000 7.057) 7.134 14.055 ( 0.961 -0.000 -6.172) 6.246 16.276 ( -1.806 0.000 -6.359) 6.610 16.430 ( 3.337 -0.000 -2.021) 3.901 16.547 ( 7.270 -0.000 -27.682) 28.621 20.450 ( -1.114 0.000 0.874) 1.416 21.016 ( -4.495 0.000 0.269) 4.503 21.983 ( 0.312 -0.000 0.347) 0.466 22.667 ( 0.096 -0.000 13.712) 13.712 23.817 ( 0.149 -0.000 -0.795) 0.809 23.932 ( 9.389 -0.000 -27.649) 29.200 ======================= Grid point 142 (55/155) ======================= q-point: ( 0.40 0.30 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 9.191 -2.345 6.744) 11.639 1.117 ( 7.959 -8.773 8.515) 14.588 1.637 ( 17.034 7.135 -1.344) 18.517 2.101 ( 1.881 -2.302 -1.075) 3.161 2.208 ( -1.665 -3.126 -1.689) 3.924 2.420 ( 2.847 -3.234 6.652) 7.926 2.610 ( -1.766 5.136 6.948) 8.819 2.746 ( 0.518 0.704 2.329) 2.488 2.922 ( -2.917 0.735 1.312) 3.282 2.982 ( 4.902 -5.970 4.489) 8.934 3.211 ( -6.943 0.437 1.619) 7.143 3.347 ( -2.169 -2.431 -1.494) 3.584 3.511 ( -3.728 -1.474 -5.938) 7.164 3.790 ( -5.461 0.717 -3.028) 6.285 4.621 ( 4.774 10.071 -8.641) 14.103 4.781 ( 0.851 0.716 -4.680) 4.811 4.925 ( 1.877 6.074 -1.261) 6.481 4.985 ( 1.118 2.098 -3.091) 3.900 5.278 ( 7.736 -5.180 -6.886) 11.580 6.053 ( -0.084 6.140 -3.602) 7.119 6.934 ( -1.804 3.913 9.950) 10.843 7.045 ( -7.581 0.183 13.858) 15.797 7.590 ( -0.557 -11.346 4.826) 12.342 7.782 ( 2.659 -4.121 1.403) 5.101 7.974 ( -6.637 -10.326 5.806) 13.579 8.577 ( 4.207 6.291 21.981) 23.247 8.861 ( -4.711 -14.989 5.767) 16.737 9.260 ( 4.192 -10.372 1.191) 11.250 9.551 ( 8.333 0.737 -0.272) 8.370 9.665 ( -8.413 -2.828 1.783) 9.053 10.213 ( -7.060 -12.687 -12.790) 19.349 10.616 ( 4.313 0.281 4.557) 6.280 11.016 ( 1.105 -9.519 7.360) 12.083 11.344 ( -6.163 -2.245 10.917) 12.736 11.691 ( -4.969 -1.477 40.645) 40.974 12.775 ( -2.638 -9.708 0.721) 10.086 12.986 ( -3.082 0.316 -2.037) 3.708 13.484 ( -1.912 6.550 5.892) 9.016 14.088 ( 0.884 -2.722 -5.619) 6.305 16.189 ( 5.204 26.792 -12.533) 30.033 16.279 ( -1.382 -1.219 -6.843) 7.087 16.549 ( 3.992 2.147 -8.882) 9.972 20.554 ( -2.444 -9.986 -2.160) 10.505 20.990 ( -2.868 0.329 -1.368) 3.194 21.981 ( 0.156 0.388 0.315) 0.524 22.667 ( 0.073 0.001 13.281) 13.281 23.792 ( 7.810 14.386 -16.999) 23.599 23.865 ( 0.080 0.020 -5.524) 5.524 ======================= Grid point 143 (56/155) ======================= q-point: ( 0.50 0.30 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 2.286 -7.197 0.832) 7.597 1.305 ( 4.797 -7.172 6.775) 10.970 1.541 ( 5.161 9.128 1.400) 10.579 2.108 ( -1.139 -0.225 2.572) 2.822 2.347 ( 1.587 -9.022 -14.235) 16.928 2.398 ( -1.246 5.080 2.975) 6.017 2.550 ( -0.216 0.088 9.022) 9.025 2.769 ( 2.908 -0.839 1.364) 3.320 2.876 ( -3.409 1.050 -1.624) 3.920 3.063 ( -5.120 -1.624 1.382) 5.547 3.246 ( 2.412 -4.744 3.213) 6.216 3.417 ( 0.729 -4.979 6.094) 7.904 3.511 ( 1.504 -0.523 -1.495) 2.184 3.761 ( -3.545 -0.078 2.943) 4.608 4.433 ( 1.886 11.941 -4.407) 12.868 4.734 ( 2.293 5.588 -3.054) 6.768 4.805 ( -0.530 7.257 -0.232) 7.280 4.973 ( -0.047 0.061 -3.252) 3.253 5.374 ( 5.305 -0.844 -4.914) 7.280 5.904 ( 0.145 9.079 0.326) 9.086 6.902 ( -0.188 -2.066 11.564) 11.748 7.074 ( -7.360 -6.374 1.269) 9.818 7.789 ( -0.620 -4.114 1.343) 4.372 7.952 ( 3.756 -11.382 0.483) 11.995 8.121 ( -3.814 -16.593 6.296) 18.153 8.512 ( 2.790 2.967 21.090) 21.480 9.024 ( -4.044 -5.201 7.534) 10.009 9.406 ( 5.091 -2.303 -1.287) 5.734 9.561 ( -2.378 -0.145 -0.441) 2.423 9.760 ( 0.900 -8.924 7.334) 11.585 10.454 ( -2.815 -13.987 -7.881) 16.300 10.657 ( 1.129 -3.000 3.546) 4.780 11.243 ( 4.054 -11.461 6.341) 13.711 11.387 ( -6.551 -8.202 9.901) 14.430 11.794 ( -0.099 -12.891 21.351) 24.941 12.916 ( -1.440 2.466 -1.024) 3.034 12.971 ( -2.072 -8.647 3.372) 9.510 13.312 ( -6.501 8.121 5.202) 11.631 14.150 ( 0.807 -2.952 -5.107) 5.954 15.651 ( 4.073 32.836 -7.545) 33.937 16.301 ( -0.854 -1.626 -7.380) 7.605 16.525 ( 2.585 2.806 -5.296) 6.527 20.713 ( -2.277 -8.367 -3.992) 9.546 20.965 ( -1.675 0.806 -2.889) 3.435 21.972 ( -0.048 0.602 0.390) 0.719 22.667 ( 0.164 0.101 12.226) 12.228 23.462 ( 6.154 23.499 -14.509) 28.294 23.916 ( -0.386 -3.378 -1.961) 3.924 ======================= Grid point 144 (57/155) ======================= q-point: ( 0.60 0.30 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -1.668 -4.651 -1.089) 5.060 1.417 ( 5.108 0.624 4.209) 6.648 1.469 ( -2.094 -4.507 6.138) 7.897 2.108 ( -0.153 0.654 -0.373) 0.769 2.304 ( -1.092 2.365 2.314) 3.484 2.466 ( 0.476 -1.406 -0.157) 1.493 2.606 ( 0.933 -6.828 -3.326) 7.652 2.792 ( 1.195 0.466 -2.208) 2.553 2.850 ( -2.665 -1.306 -4.170) 5.118 3.066 ( -2.170 -1.261 0.779) 2.628 3.285 ( 1.273 2.514 -1.456) 3.172 3.422 ( -1.375 2.126 -3.879) 4.632 3.647 ( 8.594 -6.925 13.455) 17.402 3.746 ( -5.908 -3.047 8.982) 11.175 4.244 ( -0.543 8.401 0.125) 8.420 4.619 ( 3.131 8.548 0.153) 9.105 4.654 ( -2.245 8.259 -0.285) 8.563 4.965 ( -0.126 0.973 -3.902) 4.023 5.391 ( 2.477 1.646 -4.430) 5.336 5.750 ( 0.333 7.828 2.776) 8.312 6.976 ( -0.514 -5.645 8.038) 9.836 7.169 ( -3.359 -7.726 -1.643) 8.583 7.794 ( 0.551 1.737 0.691) 1.949 8.119 ( 1.003 -7.565 2.178) 7.936 8.478 ( 2.479 -3.208 10.660) 11.405 8.520 ( -2.566 -15.649 5.660) 16.838 9.053 ( -0.808 -1.600 9.994) 10.153 9.421 ( 0.909 1.400 1.705) 2.386 9.591 ( -0.998 -4.277 4.812) 6.514 9.913 ( 1.678 -5.440 4.825) 7.463 10.644 ( 0.467 -8.931 2.669) 9.333 10.739 ( -1.563 -6.583 4.930) 8.372 11.378 ( 1.001 -3.456 9.153) 9.835 11.576 ( -0.914 -10.958 3.471) 11.531 12.184 ( 1.261 -28.777 8.103) 29.923 12.731 ( -0.974 15.557 1.211) 15.635 13.032 ( 4.240 8.127 3.219) 9.715 13.293 ( -9.696 -16.133 3.117) 19.079 14.169 ( 0.487 3.036 -5.051) 5.914 15.119 ( 1.666 25.885 -2.396) 26.049 16.318 ( -0.222 -0.528 -7.904) 7.925 16.482 ( 1.064 3.060 -5.890) 6.722 20.826 ( -0.956 -5.521 -3.381) 6.544 20.942 ( -0.668 0.783 -4.071) 4.199 21.962 ( -0.104 0.403 0.525) 0.670 22.666 ( 0.388 0.119 11.113) 11.120 23.067 ( 2.268 21.947 -9.380) 23.975 23.965 ( -0.148 -2.045 -2.459) 3.202 ======================= Grid point 145 (58/155) ======================= q-point: ( 0.70 0.30 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -0.000 5.890 3.438) 6.819 1.472 ( 0.000 -6.522 3.474) 7.390 1.614 ( 0.000 -10.346 4.147) 11.146 2.037 ( -0.000 7.735 -1.856) 7.955 2.326 ( 0.000 -4.951 1.016) 5.055 2.504 ( 0.000 -4.120 8.231) 9.205 2.710 ( 0.000 -2.651 -1.102) 2.871 2.750 ( -0.000 3.765 -4.097) 5.565 2.921 ( 0.000 -6.600 -14.025) 15.501 3.062 ( -0.000 0.809 1.170) 1.422 3.195 ( -0.000 6.788 -2.027) 7.084 3.349 ( -0.000 4.960 -3.084) 5.841 3.717 ( -0.000 1.607 0.982) 1.883 3.880 ( 0.000 -11.095 18.870) 21.890 4.166 ( 0.000 -0.790 3.526) 3.613 4.463 ( -0.000 9.075 3.952) 9.898 4.510 ( -0.000 5.960 -1.517) 6.150 4.935 ( -0.000 2.139 -4.091) 4.617 5.339 ( -0.000 5.076 -4.543) 6.812 5.630 ( -0.000 5.246 4.482) 6.900 7.092 ( 0.000 -7.281 5.995) 9.431 7.292 ( 0.000 -6.234 -2.152) 6.595 7.753 ( -0.000 2.844 -1.051) 3.032 8.256 ( 0.000 -6.481 11.443) 13.151 8.453 ( -0.000 2.258 -3.837) 4.452 8.719 ( 0.000 -3.029 7.679) 8.255 9.115 ( 0.000 -5.167 4.513) 6.860 9.420 ( 0.000 -1.635 8.208) 8.370 9.660 ( 0.000 -2.385 11.028) 11.283 9.957 ( -0.000 1.176 1.932) 2.262 10.821 ( 0.000 -10.223 5.093) 11.421 10.880 ( 0.000 -8.456 5.013) 9.830 11.426 ( 0.000 -1.507 9.437) 9.557 11.728 ( 0.000 -7.682 5.273) 9.318 12.372 ( -0.000 21.882 4.510) 22.342 12.781 ( 0.000 -34.373 2.856) 34.491 12.894 ( -0.000 7.288 2.510) 7.708 13.582 ( 0.000 -16.592 -0.107) 16.592 13.970 ( -0.000 19.727 -3.780) 20.086 14.799 ( -0.000 9.436 -0.631) 9.457 16.316 ( -0.000 0.661 -8.192) 8.218 16.434 ( -0.000 2.414 -7.207) 7.601 20.914 ( 0.000 -4.725 -2.753) 5.468 20.930 ( -0.000 0.298 -4.664) 4.673 21.958 ( -0.000 0.007 0.657) 0.657 22.669 ( 0.000 -0.170 10.254) 10.255 22.723 ( -0.000 15.941 -5.693) 16.927 23.990 ( 0.000 -0.859 -2.757) 2.888 ======================= Grid point 153 (59/155) ======================= q-point: ( 0.40 0.40 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 8.765 -0.000 11.419) 14.395 1.037 ( 5.512 -0.000 8.163) 9.850 1.839 ( 15.257 -0.000 -10.210) 18.359 2.073 ( 1.875 -0.000 -4.954) 5.297 2.192 ( -0.899 0.000 12.768) 12.799 2.414 ( 9.067 -0.000 3.888) 9.866 2.674 ( -9.149 0.000 3.451) 9.778 2.748 ( 7.274 -0.000 8.151) 10.925 2.892 ( -1.500 0.000 2.775) 3.154 2.958 ( 2.307 -0.000 3.552) 4.235 3.202 ( -11.674 0.000 -8.066) 14.190 3.243 ( -3.095 0.000 2.195) 3.794 3.475 ( -2.758 0.000 -4.245) 5.062 3.761 ( -5.053 0.000 -6.038) 7.874 4.753 ( 2.693 -0.000 -10.542) 10.880 4.777 ( 0.371 -0.000 -4.349) 4.365 5.001 ( 2.475 -0.000 -5.231) 5.787 5.075 ( 3.894 -0.000 1.914) 4.339 5.207 ( 2.729 -0.000 -12.849) 13.135 6.113 ( 0.540 -0.000 -6.796) 6.818 6.918 ( -2.708 0.000 3.427) 4.368 7.117 ( -4.010 0.000 27.216) 27.510 7.531 ( -2.778 0.000 13.538) 13.820 7.689 ( 0.388 -0.000 2.709) 2.737 7.791 ( -0.766 0.000 2.598) 2.708 8.627 ( -0.415 0.000 -1.837) 1.883 8.713 ( 0.199 -0.000 29.005) 29.005 9.171 ( 6.741 -0.000 1.327) 6.870 9.558 ( -10.956 0.000 1.303) 11.033 9.648 ( 11.155 -0.000 -2.235) 11.377 10.048 ( -8.012 0.000 -12.160) 14.562 10.645 ( 2.635 -0.000 4.179) 4.940 10.928 ( 0.845 -0.000 8.358) 8.401 11.295 ( -3.997 0.000 9.508) 10.314 11.650 ( -4.228 0.000 48.414) 48.598 12.681 ( 0.444 -0.000 -3.318) 3.347 12.973 ( -1.865 0.000 -2.329) 2.984 13.546 ( -0.343 0.000 5.405) 5.416 14.065 ( 0.582 -0.000 -6.065) 6.093 16.257 ( -1.129 0.000 -6.801) 6.894 16.465 ( 2.031 -0.000 -1.561) 2.561 16.607 ( 2.714 -0.000 -24.254) 24.406 20.439 ( -0.673 0.000 0.854) 1.087 20.979 ( -1.572 0.000 -1.951) 2.505 21.986 ( 0.181 -0.000 0.210) 0.277 22.667 ( 0.039 -0.000 13.901) 13.901 23.819 ( 0.092 -0.000 -0.732) 0.738 24.009 ( 3.442 -0.000 -23.112) 23.367 ======================= Grid point 154 (60/155) ======================= q-point: ( 0.50 0.40 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 3.424 -0.262 5.838) 6.773 1.185 ( 2.733 -7.879 8.253) 11.733 1.788 ( 5.900 11.072 -5.306) 13.622 2.117 ( 0.798 0.700 4.054) 4.191 2.203 ( 0.449 -5.541 -6.930) 8.884 2.474 ( 4.597 1.871 3.960) 6.349 2.559 ( -4.788 2.648 6.624) 8.592 2.791 ( 5.525 0.450 1.016) 5.635 2.871 ( -5.074 1.040 2.659) 5.822 3.035 ( 1.891 -0.248 1.558) 2.463 3.125 ( -3.650 -6.835 6.846) 10.340 3.323 ( -1.937 -6.107 -2.270) 6.797 3.478 ( -0.979 -1.713 -1.962) 2.782 3.738 ( -2.202 -0.311 -2.836) 3.604 4.667 ( 1.962 10.283 -9.781) 14.327 4.785 ( 0.015 -0.020 -4.338) 4.338 4.945 ( 0.964 8.472 -0.634) 8.550 4.996 ( 0.444 2.010 -4.230) 4.704 5.347 ( 2.856 -6.001 -7.378) 9.930 6.052 ( -0.011 6.499 -4.340) 7.815 6.927 ( 0.616 0.006 6.235) 6.266 6.969 ( -4.003 4.618 18.555) 19.536 7.582 ( -0.491 -11.457 5.904) 12.898 7.826 ( 4.058 -6.179 2.595) 7.835 7.895 ( -5.441 -9.124 6.157) 12.278 8.623 ( 2.369 6.460 25.143) 26.068 8.810 ( -2.616 -14.761 1.594) 15.075 9.330 ( 5.482 -9.658 1.692) 11.234 9.508 ( -7.262 -1.447 0.983) 7.470 9.701 ( 5.660 0.367 1.913) 5.986 10.130 ( -4.595 -14.339 -16.113) 22.054 10.654 ( 1.521 0.262 4.248) 4.520 11.028 ( 0.590 -10.133 9.455) 13.871 11.289 ( -2.240 -1.622 9.139) 9.549 11.653 ( -1.364 -3.249 39.131) 39.289 12.755 ( -0.669 -7.834 -0.096) 7.863 12.958 ( -1.164 0.900 -2.114) 2.575 13.471 ( -0.449 7.803 4.777) 9.160 14.096 ( 0.338 -2.804 -5.646) 6.313 16.232 ( 1.652 25.485 -11.365) 27.953 16.266 ( -0.615 -1.256 -7.119) 7.255 16.583 ( 1.342 2.262 -8.818) 9.202 20.533 ( -0.782 -9.106 -1.372) 9.242 20.969 ( -0.743 0.400 -2.678) 2.808 21.983 ( 0.055 0.480 0.225) 0.533 22.668 ( 0.020 -0.019 13.471) 13.471 23.847 ( 1.259 -0.194 -3.565) 3.786 23.872 ( 0.956 13.350 -17.260) 21.841 ======================= Grid point 155 (61/155) ======================= q-point: ( 0.60 0.40 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 -5.288 0.454) 5.308 1.334 ( 0.000 -7.375 6.622) 9.911 1.581 ( -0.000 11.682 1.217) 11.745 2.101 ( 0.000 -0.115 3.103) 3.105 2.359 ( 0.000 -9.371 -15.580) 18.181 2.388 ( -0.000 6.073 2.363) 6.517 2.549 ( 0.000 -0.624 9.371) 9.392 2.811 ( -0.000 0.367 -3.362) 3.382 2.827 ( -0.000 0.429 3.058) 3.088 3.023 ( 0.000 -1.297 1.135) 1.724 3.276 ( 0.000 -5.170 5.089) 7.254 3.399 ( 0.000 -2.764 -3.016) 4.091 3.541 ( 0.000 -6.004 9.646) 11.362 3.731 ( -0.000 0.874 0.981) 1.314 4.447 ( -0.000 12.968 -4.863) 13.850 4.751 ( -0.000 4.425 -3.734) 5.790 4.800 ( -0.000 8.157 0.472) 8.171 4.973 ( -0.000 0.482 -3.607) 3.639 5.409 ( 0.000 -0.570 -4.856) 4.889 5.906 ( -0.000 8.846 -0.226) 8.849 6.905 ( 0.000 -1.669 14.069) 14.168 7.021 ( 0.000 -6.554 -0.774) 6.599 7.784 ( 0.000 -4.950 2.618) 5.599 7.981 ( 0.000 -7.909 -0.943) 7.965 8.092 ( 0.000 -20.519 7.297) 21.778 8.532 ( -0.000 3.605 22.070) 22.362 8.996 ( 0.000 -5.587 6.288) 8.411 9.460 ( 0.000 -0.012 -2.590) 2.590 9.519 ( 0.000 -2.965 1.156) 3.182 9.775 ( 0.000 -7.954 7.616) 11.013 10.433 ( 0.000 -16.059 -10.275) 19.064 10.665 ( 0.000 -1.474 4.728) 4.953 11.291 ( 0.000 -17.484 7.542) 19.041 11.323 ( 0.000 -2.906 9.176) 9.625 11.793 ( 0.000 -13.882 21.414) 25.520 12.906 ( -0.000 5.073 -1.489) 5.287 12.955 ( 0.000 -14.422 4.009) 14.968 13.273 ( -0.000 12.906 4.448) 13.651 14.155 ( 0.000 -3.022 -5.200) 6.014 15.677 ( -0.000 32.891 -7.512) 33.738 16.295 ( 0.000 -1.714 -7.489) 7.682 16.542 ( -0.000 2.856 -5.246) 5.973 20.698 ( 0.000 -8.333 -3.349) 8.981 20.955 ( -0.000 0.786 -3.463) 3.551 21.972 ( -0.000 0.661 0.353) 0.749 22.668 ( -0.000 0.006 12.410) 12.410 23.501 ( -0.000 23.539 -14.558) 27.677 23.913 ( 0.000 -3.418 -1.847) 3.886 ======================= Grid point 166 (62/155) ======================= q-point: (-0.50 -0.50 0.11) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.000 -0.000 11.495) 11.495 1.072 ( 0.000 -0.000 7.899) 7.899 1.927 ( 0.000 -0.000 -15.445) 15.445 2.085 ( 0.000 -0.000 -5.795) 5.795 2.202 ( -0.000 0.000 15.597) 15.597 2.536 ( -0.000 0.000 6.069) 6.069 2.549 ( 0.000 -0.000 0.432) 0.432 2.829 ( -0.000 0.000 -5.232) 5.232 2.863 ( 0.000 -0.000 15.378) 15.378 2.981 ( 0.000 -0.000 6.821) 6.821 3.105 ( -0.000 0.000 -6.803) 6.803 3.215 ( -0.000 0.000 -0.574) 0.574 3.460 ( 0.000 -0.000 -3.174) 3.174 3.728 ( -0.000 0.000 -5.253) 5.253 4.770 ( -0.000 0.000 -10.768) 10.768 4.778 ( -0.000 0.000 -4.305) 4.305 5.017 ( -0.000 0.000 -5.055) 5.055 5.102 ( -0.000 0.000 1.772) 1.772 5.226 ( 0.000 -0.000 -13.519) 13.519 6.116 ( -0.000 0.000 -7.055) 7.055 6.902 ( -0.000 0.000 2.939) 2.939 7.090 ( 0.000 -0.000 30.003) 30.003 7.514 ( 0.000 -0.000 11.644) 11.644 7.692 ( 0.000 -0.000 3.677) 3.677 7.785 ( 0.000 -0.000 2.393) 2.393 8.624 ( 0.000 -0.000 -2.466) 2.466 8.715 ( 0.000 -0.000 28.900) 28.900 9.227 ( 0.000 -0.000 2.172) 2.172 9.474 ( -0.000 0.000 0.701) 0.701 9.739 ( -0.000 0.000 0.440) 0.440 9.977 ( 0.000 -0.000 -15.807) 15.807 10.662 ( 0.000 -0.000 4.115) 4.115 10.934 ( 0.000 -0.000 8.998) 8.998 11.269 ( -0.000 0.000 8.491) 8.491 11.624 ( 0.000 -0.000 46.745) 46.745 12.684 ( 0.000 -0.000 -3.474) 3.474 12.960 ( 0.000 -0.000 -2.252) 2.252 13.544 ( -0.000 0.000 4.896) 4.896 14.069 ( 0.000 -0.000 -6.025) 6.025 16.249 ( 0.000 -0.000 -6.969) 6.969 16.478 ( 0.000 -0.000 -1.391) 1.391 16.623 ( 0.000 -0.000 -23.245) 23.245 20.434 ( -0.000 0.000 0.847) 0.847 20.970 ( 0.000 -0.000 -2.587) 2.587 21.988 ( 0.000 -0.000 0.157) 0.157 22.668 ( 0.000 -0.000 13.951) 13.951 23.820 ( 0.000 -0.000 -0.708) 0.708 24.030 ( 0.000 -0.000 -21.743) 21.743 ======================= Grid point 214 (63/155) ======================= q-point: ( 0.00 0.00 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 0.000 0.000 3.149) 3.149 0.936 ( 0.000 0.000 20.714) 20.714 1.542 ( 0.000 0.000 26.711) 26.711 1.908 ( 0.000 0.000 -6.002) 6.002 2.460 ( 0.000 0.000 12.627) 12.627 2.462 ( 0.000 0.000 4.213) 4.213 2.650 ( 0.000 0.000 -4.949) 4.949 2.716 ( 0.000 0.000 -3.933) 3.933 3.113 ( 0.000 0.000 4.027) 4.027 3.189 ( 0.000 0.000 1.738) 1.738 3.318 ( 0.000 0.000 15.012) 15.012 3.419 ( 0.000 0.000 -2.888) 2.888 3.533 ( 0.000 0.000 6.969) 6.969 3.847 ( 0.000 0.000 -1.063) 1.063 4.463 ( 0.000 0.000 -2.403) 2.403 4.481 ( 0.000 0.000 -8.719) 8.719 4.713 ( 0.000 0.000 -9.691) 9.691 4.733 ( 0.000 0.000 -6.627) 6.627 5.063 ( 0.000 0.000 -5.015) 5.015 5.975 ( 0.000 0.000 -6.171) 6.171 7.333 ( 0.000 0.000 7.962) 7.962 7.526 ( 0.000 0.000 -0.090) 0.090 7.613 ( 0.000 0.000 0.966) 0.966 7.658 ( 0.000 0.000 -5.345) 5.345 7.778 ( 0.000 0.000 1.219) 1.219 8.789 ( 0.000 0.000 -11.820) 11.820 8.860 ( 0.000 0.000 9.680) 9.680 9.257 ( 0.000 0.000 17.344) 17.344 9.709 ( 0.000 0.000 26.926) 26.926 10.111 ( 0.000 0.000 -4.145) 4.145 10.194 ( 0.000 0.000 1.426) 1.426 10.648 ( 0.000 0.000 22.774) 22.774 11.073 ( 0.000 0.000 11.351) 11.351 11.794 ( 0.000 0.000 15.810) 15.810 12.578 ( 0.000 0.000 -6.417) 6.417 13.013 ( 0.000 0.000 -4.485) 4.485 13.274 ( 0.000 0.000 0.734) 0.734 13.817 ( 0.000 0.000 -13.834) 13.834 14.718 ( 0.000 0.000 10.435) 10.435 15.131 ( 0.000 0.000 -0.723) 0.723 16.180 ( 0.000 0.000 -9.644) 9.644 16.212 ( 0.000 0.000 -7.634) 7.634 20.515 ( 0.000 0.000 2.255) 2.255 21.436 ( 0.000 0.000 -15.692) 15.692 21.997 ( 0.000 0.000 1.561) 1.561 22.462 ( 0.000 0.000 -5.966) 5.966 23.093 ( 0.000 0.000 12.519) 12.519 23.782 ( 0.000 0.000 -2.032) 2.032 ======================= Grid point 215 (64/155) ======================= q-point: ( 0.10 0.00 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 8.382 -7.429 2.680) 11.516 0.971 ( 2.459 -1.447 19.499) 19.707 1.604 ( -2.198 -10.256 23.082) 25.354 1.930 ( 0.367 -2.347 -6.717) 7.125 2.418 ( -1.227 3.748 2.277) 4.554 2.471 ( 1.423 -0.126 7.920) 8.048 2.705 ( 2.549 -3.267 -3.657) 5.527 2.749 ( -0.588 -2.448 -1.408) 2.885 2.939 ( -0.339 8.777 5.506) 10.367 3.203 ( -1.227 6.615 9.977) 12.034 3.352 ( -1.081 -7.415 -1.050) 7.567 3.410 ( -3.442 2.048 2.762) 4.864 3.536 ( 2.417 0.396 6.596) 7.035 3.829 ( -0.163 0.592 1.330) 1.465 4.461 ( -5.829 -0.588 -6.311) 8.611 4.548 ( 6.301 -3.750 -6.200) 9.602 4.716 ( 0.711 1.374 -6.611) 6.790 4.751 ( 4.333 -2.146 -6.511) 8.110 5.037 ( -1.188 1.816 -3.207) 3.872 5.994 ( -0.688 -0.751 -5.656) 5.747 7.277 ( -4.116 11.313 7.687) 14.284 7.470 ( -4.579 -4.783 2.688) 7.146 7.537 ( 4.412 -3.786 3.098) 6.588 7.703 ( 2.697 -3.810 -3.333) 5.735 8.055 ( 1.938 -13.034 -5.031) 14.105 8.790 ( 0.235 4.851 12.849) 13.737 8.949 ( 0.836 -14.176 -11.770) 18.444 9.310 ( 0.890 -3.771 8.659) 9.487 9.732 ( -2.186 -3.312 30.358) 30.616 10.043 ( -2.851 3.284 -1.186) 4.508 10.290 ( -1.609 -9.328 -1.048) 9.524 10.690 ( 1.810 -3.762 22.245) 22.633 11.138 ( 0.389 -6.608 10.627) 12.520 11.813 ( -1.656 -2.613 15.303) 15.613 12.453 ( -0.656 12.070 3.016) 12.459 13.000 ( -1.265 0.082 -2.742) 3.021 13.210 ( -1.813 5.570 1.472) 6.040 13.841 ( -0.216 -2.267 -12.931) 13.130 14.569 ( -30.741 0.530 12.323) 33.124 15.157 ( 26.017 10.459 -4.278) 28.365 16.170 ( -1.537 0.407 -10.325) 10.447 16.214 ( 2.373 0.886 -8.378) 8.752 20.576 ( -0.478 -5.766 -1.255) 5.920 21.355 ( -10.254 4.227 -13.087) 17.154 21.997 ( 0.038 0.029 1.568) 1.569 22.490 ( 13.328 2.542 -7.437) 15.472 23.063 ( 0.994 3.144 12.953) 13.366 23.814 ( 0.014 -2.925 -2.799) 4.049 ======================= Grid point 216 (65/155) ======================= q-point: ( 0.20 0.00 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 8.179 -6.984 3.277) 11.243 1.066 ( 4.923 -7.555 13.551) 16.277 1.829 ( -7.206 -13.569 12.220) 19.631 2.002 ( 1.080 -5.203 -7.891) 9.513 2.320 ( -2.435 5.544 -0.786) 6.106 2.477 ( 1.547 0.636 5.032) 5.303 2.691 ( 0.042 5.142 0.721) 5.193 2.759 ( -0.973 -0.493 -0.994) 1.476 2.907 ( 1.681 -2.231 2.529) 3.768 3.134 ( 6.431 2.413 4.621) 8.279 3.300 ( -4.229 4.865 6.188) 8.936 3.404 ( -2.409 1.324 -3.897) 4.769 3.556 ( 2.344 -0.803 6.807) 7.244 3.869 ( -0.208 -5.516 6.646) 8.640 4.416 ( -6.773 0.755 -6.071) 9.127 4.609 ( 2.405 0.876 -3.094) 4.015 4.691 ( 3.544 2.438 -4.843) 6.478 4.849 ( 7.875 -3.157 -5.672) 10.205 4.994 ( -1.482 2.085 -0.979) 2.739 5.947 ( -1.375 5.261 -1.811) 5.731 7.131 ( -3.584 1.521 5.029) 6.360 7.438 ( 0.271 2.486 1.815) 3.090 7.687 ( -4.473 -4.870 -4.653) 8.086 7.903 ( 4.887 -13.788 5.341) 15.573 8.248 ( 1.149 -10.580 -4.924) 11.726 8.729 ( 2.734 2.122 14.136) 14.553 9.209 ( 0.877 -11.554 -7.503) 13.805 9.351 ( 0.012 0.097 -0.746) 0.753 9.799 ( -3.155 -5.651 32.705) 33.339 10.015 ( -1.041 -2.288 7.441) 7.854 10.504 ( -2.840 -15.320 -4.958) 16.351 10.798 ( 1.344 -6.737 20.639) 21.752 11.295 ( 1.455 -9.459 10.644) 14.314 11.865 ( -3.409 -4.364 14.025) 15.079 12.248 ( -0.195 6.450 14.736) 16.087 12.998 ( -2.811 0.073 -1.056) 3.003 13.067 ( 1.372 8.948 2.587) 9.415 13.880 ( -1.767 -2.326 -10.975) 11.357 14.384 ( -25.708 0.017 8.716) 27.145 15.040 ( 18.801 17.364 -3.799) 25.873 16.151 ( -1.475 0.565 -12.224) 12.325 16.200 ( 3.380 2.737 -10.097) 10.994 20.679 ( -0.736 -5.371 -4.871) 7.288 21.193 ( -10.591 5.372 -9.360) 15.121 21.996 ( -0.019 0.148 1.585) 1.592 22.509 ( 14.522 5.529 -8.092) 17.519 23.011 ( 0.930 2.977 13.249) 13.611 23.868 ( -0.136 -2.632 -3.818) 4.639 ======================= Grid point 217 (66/155) ======================= q-point: ( 0.30 0.00 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 7.910 -5.504 4.508) 10.639 1.275 ( 3.117 -11.238 5.764) 13.009 1.929 ( -9.848 -3.461 7.197) 12.679 2.094 ( 0.227 -1.522 -5.655) 5.861 2.221 ( -0.976 1.587 -6.044) 6.325 2.468 ( -3.825 -1.276 1.745) 4.393 2.635 ( 2.220 1.727 0.116) 2.815 2.761 ( 0.209 0.014 -3.572) 3.578 2.931 ( -1.814 -0.382 3.581) 4.032 3.109 ( 5.590 7.317 -4.244) 10.139 3.230 ( 0.718 1.101 7.412) 7.528 3.329 ( -1.105 4.234 -1.958) 4.794 3.607 ( 3.382 -2.955 8.592) 9.695 4.005 ( -0.120 -8.953 8.917) 12.636 4.368 ( -4.755 -0.005 -2.826) 5.531 4.566 ( 0.791 4.064 2.778) 4.986 4.662 ( 1.535 3.260 -1.545) 3.921 4.888 ( 2.427 4.677 -3.862) 6.534 4.988 ( 5.772 -1.990 -4.272) 7.451 5.818 ( -0.922 6.955 1.767) 7.235 7.146 ( -3.577 -4.848 1.037) 6.113 7.414 ( -0.934 -0.082 1.712) 1.952 7.695 ( -1.352 1.402 -2.899) 3.493 8.068 ( 0.408 -3.433 -3.921) 5.228 8.507 ( 2.841 -11.735 1.795) 12.207 8.754 ( 1.667 -3.959 10.872) 11.690 9.303 ( -2.295 2.737 -2.103) 4.145 9.404 ( 2.773 -8.698 -2.743) 9.532 9.901 ( -3.281 -8.183 29.817) 31.093 10.084 ( 1.653 -3.756 19.877) 20.296 10.767 ( -2.052 -14.030 -1.569) 14.266 10.941 ( 0.313 -7.853 16.828) 18.573 11.485 ( 2.403 -9.752 11.885) 15.561 11.900 ( -3.460 -2.459 15.638) 16.204 12.310 ( 1.390 -12.498 10.933) 16.663 12.821 ( 1.382 14.903 5.481) 15.940 13.034 ( -2.421 -2.080 0.620) 3.252 13.888 ( -3.087 0.077 -9.154) 9.661 14.214 ( -16.687 4.806 4.927) 18.050 14.819 ( 10.317 15.391 -2.183) 18.657 16.127 ( -1.272 1.506 -13.854) 13.994 16.164 ( 3.503 3.044 -12.816) 13.630 20.754 ( -0.330 -3.386 -5.617) 6.567 21.045 ( -7.480 4.301 -6.771) 10.968 21.992 ( -0.118 0.183 1.593) 1.608 22.478 ( 10.345 6.301 -6.959) 13.970 22.970 ( 0.516 2.035 13.093) 13.261 23.902 ( -0.210 -1.277 -4.482) 4.665 ======================= Grid point 218 (67/155) ======================= q-point: ( 0.40 0.00 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 8.648 -6.538 6.580) 12.682 1.466 ( -1.682 -7.400 0.733) 7.624 1.859 ( -6.509 2.600 7.284) 10.108 2.029 ( -0.398 6.379 1.216) 6.506 2.295 ( 2.453 -7.032 -12.069) 14.182 2.483 ( -4.964 -2.553 -1.974) 5.921 2.634 ( -0.224 0.313 -6.717) 6.728 2.737 ( -0.917 2.206 -5.997) 6.456 2.914 ( -0.028 1.219 0.206) 1.236 2.998 ( 0.409 5.308 4.647) 7.067 3.194 ( 0.291 2.392 0.626) 2.490 3.276 ( 1.447 2.214 0.350) 2.668 3.685 ( 4.148 -2.177 7.135) 8.536 4.180 ( 1.009 -9.306 10.354) 13.958 4.363 ( -3.979 -2.526 1.011) 4.820 4.493 ( 1.236 4.270 6.536) 7.905 4.580 ( 0.078 6.123 1.992) 6.439 4.795 ( 0.506 4.987 -2.496) 5.600 5.068 ( 5.008 -2.036 -6.599) 8.530 5.710 ( -0.105 4.186 2.872) 5.077 7.235 ( -2.204 -6.190 -0.917) 6.634 7.417 ( -2.093 -0.841 2.246) 3.183 7.637 ( 0.451 3.832 -0.411) 3.881 8.104 ( 0.629 -0.934 -13.162) 13.210 8.608 ( 0.000 -0.762 8.886) 8.918 8.887 ( 1.973 -7.009 4.598) 8.612 9.219 ( -1.794 4.386 0.167) 4.742 9.571 ( 1.096 -6.679 -2.790) 7.321 10.044 ( -0.741 -7.778 29.361) 30.383 10.145 ( 1.195 -1.780 28.255) 28.336 10.973 ( -0.303 -9.568 4.830) 10.722 11.065 ( -0.439 -5.120 12.276) 13.308 11.651 ( 1.345 -5.795 13.728) 14.962 11.966 ( -1.841 -8.052 15.863) 17.884 12.474 ( 0.074 12.505 7.689) 14.680 12.671 ( 4.849 -9.570 6.478) 12.533 13.107 ( -4.410 -11.055 0.898) 11.936 13.805 ( -0.576 11.016 -7.723) 13.465 13.985 ( -8.615 8.279 4.029) 12.609 14.665 ( 3.165 5.894 -2.240) 7.055 16.080 ( -0.217 2.430 -13.948) 14.159 16.147 ( 1.751 0.929 -16.462) 16.581 20.802 ( 0.511 -1.926 -5.172) 5.542 20.944 ( -4.315 2.592 -5.275) 7.291 21.989 ( -0.113 0.047 1.540) 1.544 22.428 ( 5.136 4.177 -5.536) 8.630 22.944 ( 0.186 1.101 12.883) 12.931 23.914 ( -0.149 -0.331 -4.837) 4.850 ======================= Grid point 219 (68/155) ======================= q-point: (-0.50 0.00 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -0.000 -0.000 6.673) 6.673 1.483 ( 0.000 -0.000 1.525) 1.525 1.842 ( 0.000 -0.000 2.337) 2.337 1.931 ( -0.000 -0.000 5.468) 5.468 2.433 ( 0.000 -0.000 -11.847) 11.847 2.463 ( -0.000 0.000 -3.689) 3.689 2.587 ( -0.000 0.000 -10.604) 10.604 2.729 ( 0.000 -0.000 -6.514) 6.514 2.894 ( -0.000 -0.000 -3.320) 3.320 2.951 ( 0.000 0.000 9.009) 9.009 3.177 ( -0.000 -0.000 3.235) 3.235 3.256 ( 0.000 -0.000 -1.478) 1.478 3.720 ( 0.000 -0.000 5.788) 5.788 4.297 ( 0.000 -0.000 10.556) 10.556 4.391 ( 0.000 0.000 6.894) 6.894 4.456 ( -0.000 -0.000 4.122) 4.122 4.482 ( 0.000 -0.000 2.798) 2.798 4.747 ( 0.000 -0.000 -2.185) 2.185 5.106 ( 0.000 -0.000 -6.738) 6.738 5.671 ( 0.000 -0.000 2.991) 2.991 7.301 ( 0.000 -0.000 -3.294) 3.294 7.411 ( -0.000 -0.000 5.009) 5.009 7.596 ( 0.000 -0.000 0.054) 0.054 8.115 ( 0.000 -0.000 -17.812) 17.812 8.608 ( 0.000 -0.000 12.342) 12.342 8.973 ( 0.000 -0.000 1.524) 1.524 9.157 ( 0.000 -0.000 1.963) 1.963 9.635 ( 0.000 -0.000 -3.425) 3.425 10.121 ( -0.000 -0.000 29.307) 29.307 10.164 ( 0.000 -0.000 31.664) 31.664 11.088 ( 0.000 -0.000 9.759) 9.759 11.095 ( -0.000 0.000 6.686) 6.686 11.701 ( 0.000 -0.000 15.619) 15.619 12.170 ( 0.000 -0.000 12.231) 12.231 12.192 ( 0.000 0.000 14.485) 14.485 12.798 ( 0.000 -0.000 2.645) 2.645 13.434 ( 0.000 0.000 -0.352) 0.352 13.447 ( -0.000 -0.000 -1.528) 1.528 13.902 ( -0.000 -0.000 -0.330) 0.330 14.627 ( 0.000 -0.000 -2.578) 2.578 16.055 ( 0.000 -0.000 -14.316) 14.316 16.145 ( -0.000 -0.000 -17.618) 17.618 20.826 ( 0.000 -0.000 -4.868) 4.868 20.902 ( 0.000 -0.000 -4.781) 4.781 21.988 ( 0.000 -0.000 1.489) 1.489 22.405 ( 0.000 -0.000 -4.920) 4.920 22.934 ( 0.000 -0.000 12.806) 12.806 23.916 ( 0.000 -0.000 -4.944) 4.944 ======================= Grid point 226 (69/155) ======================= q-point: ( 0.10 0.10 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 18.199 -0.000 1.816) 18.289 0.974 ( 5.640 -0.000 19.124) 19.938 1.508 ( -4.288 0.000 25.652) 26.008 1.912 ( 0.557 -0.000 -6.116) 6.142 2.452 ( -0.867 0.000 11.787) 11.818 2.485 ( 2.918 -0.000 5.028) 5.814 2.684 ( 5.051 -0.000 -3.697) 6.259 2.710 ( -0.911 0.000 -2.971) 3.108 3.095 ( -3.139 0.000 3.898) 5.005 3.148 ( -5.322 0.000 4.588) 7.027 3.327 ( 0.331 -0.000 11.062) 11.067 3.376 ( -4.542 0.000 -1.163) 4.689 3.551 ( 0.920 -0.000 4.151) 4.252 3.835 ( -1.839 0.000 -1.437) 2.333 4.479 ( -0.096 0.000 -7.863) 7.864 4.497 ( 4.841 -0.000 -3.740) 6.118 4.732 ( 2.892 -0.000 -8.733) 9.199 4.774 ( 5.872 -0.000 -6.853) 9.025 5.048 ( -2.196 0.000 -5.092) 5.545 5.969 ( -0.927 0.000 -6.700) 6.764 7.294 ( -7.064 0.000 6.334) 9.488 7.404 ( -7.684 0.000 2.344) 8.033 7.668 ( 1.586 -0.000 -3.817) 4.133 7.773 ( 14.601 -0.000 2.252) 14.774 7.786 ( 1.121 -0.000 0.782) 1.367 8.734 ( -5.856 0.000 -5.768) 8.219 8.916 ( 6.077 -0.000 3.401) 6.964 9.271 ( 2.346 -0.000 16.184) 16.353 9.678 ( -4.440 0.000 28.420) 28.765 10.055 ( -8.167 0.000 -2.488) 8.538 10.182 ( -2.011 0.000 0.961) 2.229 10.679 ( 4.219 -0.000 20.867) 21.289 11.076 ( 0.524 -0.000 11.431) 11.443 11.773 ( -3.279 0.000 15.450) 15.795 12.577 ( -0.134 0.000 -6.469) 6.470 13.001 ( -1.830 0.000 -4.487) 4.846 13.213 ( -9.606 0.000 6.859) 11.804 13.822 ( 0.807 -0.000 -13.778) 13.802 14.333 ( -36.753 0.000 24.832) 44.355 15.459 ( 29.862 -0.000 -14.620) 33.248 16.160 ( -2.434 0.000 -10.078) 10.368 16.239 ( 3.430 -0.000 -7.293) 8.059 20.510 ( -0.766 0.000 2.234) 2.362 21.300 ( -16.442 0.000 -9.396) 18.938 21.997 ( 0.073 -0.000 1.542) 1.544 22.637 ( 21.232 -0.000 -11.054) 23.937 23.113 ( 3.485 -0.000 8.804) 9.468 23.783 ( 0.172 -0.000 -2.013) 2.021 ======================= Grid point 227 (70/155) ======================= q-point: ( 0.20 0.10 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 16.832 -3.063 2.731) 17.325 1.032 ( 6.864 -1.524 17.195) 18.577 1.563 ( -3.440 -9.381 18.988) 21.457 1.938 ( 0.666 -2.441 -6.950) 7.396 2.390 ( -2.547 4.310 6.544) 8.239 2.507 ( 3.717 0.641 4.674) 6.006 2.730 ( -1.061 -1.876 -1.317) 2.526 2.764 ( 5.056 -1.297 -2.184) 5.659 2.918 ( -3.067 5.720 4.479) 7.886 3.189 ( -0.943 0.876 12.746) 12.811 3.318 ( -2.706 -1.952 -0.670) 3.403 3.362 ( -4.153 -0.483 0.596) 4.223 3.556 ( -0.391 -0.557 4.468) 4.520 3.825 ( -0.509 -0.515 0.836) 1.106 4.416 ( -1.181 3.059 -6.117) 6.940 4.601 ( 2.360 -3.067 -6.007) 7.146 4.753 ( 4.286 0.960 -7.316) 8.533 4.840 ( 8.821 -3.052 -5.373) 10.770 5.013 ( -2.037 1.551 -3.829) 4.606 5.978 ( -1.840 -0.421 -6.257) 6.536 7.198 ( -7.230 7.045 6.648) 12.087 7.394 ( -6.544 -5.502 2.980) 9.054 7.614 ( 6.780 2.503 1.160) 7.320 7.748 ( 3.540 -5.870 2.973) 7.472 8.095 ( 3.722 -10.108 -2.855) 11.143 8.797 ( 1.059 -1.803 8.408) 8.664 8.968 ( 2.018 -9.441 -7.259) 12.079 9.334 ( 2.939 -2.854 5.299) 6.698 9.684 ( -4.859 -4.068 32.278) 32.894 9.973 ( -7.704 0.751 0.907) 7.794 10.251 ( -4.476 -8.988 -1.403) 10.139 10.730 ( 3.891 -2.552 20.049) 20.582 11.149 ( 1.271 -6.982 10.792) 12.917 11.771 ( -4.871 -2.570 14.753) 15.747 12.438 ( -1.590 12.384 5.461) 13.628 12.971 ( -3.004 0.117 -1.791) 3.499 13.163 ( -5.576 0.557 5.729) 8.014 13.830 ( -2.170 -0.746 -10.874) 11.113 14.164 ( -27.198 -3.975 20.073) 34.036 15.479 ( 21.432 15.161 -14.177) 29.836 16.143 ( -2.579 0.037 -11.102) 11.398 16.260 ( 4.614 0.792 -8.208) 9.449 20.564 ( -1.238 -5.703 -0.922) 5.908 21.177 ( -14.449 2.059 -6.751) 16.081 21.997 ( 0.027 0.071 1.528) 1.530 22.726 ( 18.946 4.642 -10.642) 22.220 23.094 ( 4.383 4.502 6.816) 9.270 23.814 ( 0.034 -2.774 -2.716) 3.882 ======================= Grid point 228 (71/155) ======================= q-point: ( 0.30 0.10 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 10.636 -4.013 5.457) 12.610 1.157 ( 9.272 -5.802 9.285) 14.347 1.723 ( -8.416 -10.246 11.130) 17.311 2.012 ( 0.424 -5.229 -8.865) 10.301 2.281 ( -3.322 5.197 1.471) 6.341 2.489 ( -0.342 3.473 1.914) 3.980 2.696 ( 1.481 2.783 2.169) 3.826 2.770 ( 2.260 0.869 -1.729) 2.975 2.904 ( -1.651 -1.209 4.015) 4.506 3.208 ( 0.119 -0.201 7.962) 7.965 3.279 ( 4.185 2.694 -0.481) 5.000 3.352 ( -4.979 0.225 -3.259) 5.955 3.574 ( 0.589 -2.162 7.805) 8.121 3.876 ( 1.454 -4.974 6.186) 8.070 4.359 ( -2.405 1.845 -4.118) 5.113 4.620 ( 0.460 1.217 -2.311) 2.652 4.735 ( 2.842 3.518 -4.944) 6.700 4.944 ( 1.001 -0.969 -2.347) 2.729 5.004 ( 8.037 -0.655 -6.193) 10.168 5.923 ( -2.258 4.841 -2.344) 5.833 7.082 ( -3.665 0.917 4.803) 6.111 7.388 ( -7.898 -0.440 2.991) 8.456 7.685 ( 3.980 -2.510 -4.039) 6.201 7.956 ( 3.135 -10.698 5.244) 12.320 8.267 ( 1.666 -11.811 -0.108) 11.928 8.776 ( 4.407 3.337 12.466) 13.636 9.211 ( -0.991 -11.148 -5.308) 12.387 9.366 ( 2.790 0.496 -1.677) 3.293 9.745 ( -5.049 -5.655 26.874) 27.922 9.995 ( -1.767 -6.334 12.604) 14.216 10.452 ( -5.277 -16.428 -5.443) 18.093 10.820 ( 1.960 -5.362 19.070) 19.906 11.324 ( 2.984 -10.075 10.924) 15.157 11.803 ( -6.004 -4.562 13.603) 15.553 12.247 ( 0.191 4.804 16.127) 16.828 12.958 ( -3.400 0.401 -1.446) 3.716 13.084 ( 1.269 6.504 4.313) 7.907 13.816 ( -10.182 -2.159 -4.044) 11.166 14.104 ( -14.956 -3.447 6.615) 16.713 15.244 ( 13.071 21.117 -7.630) 25.980 16.127 ( -2.218 0.094 -13.003) 13.191 16.256 ( 4.973 3.154 -10.001) 11.606 20.666 ( -1.229 -5.742 -4.262) 7.256 21.052 ( -10.171 2.780 -5.628) 11.952 21.994 ( -0.150 0.213 1.542) 1.563 22.711 ( 15.195 8.816 -10.139) 20.283 23.029 ( 1.963 4.288 9.567) 10.666 23.865 ( -0.221 -2.554 -3.679) 4.485 ======================= Grid point 229 (72/155) ======================= q-point: ( 0.40 0.10 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 7.668 -4.892 4.224) 10.028 1.328 ( 5.319 -7.389 5.186) 10.477 1.800 ( -9.627 -4.341 9.482) 14.193 2.093 ( -0.242 -0.587 -4.760) 4.802 2.208 ( -0.821 -1.724 -7.887) 8.115 2.415 ( -4.159 1.097 0.552) 4.336 2.666 ( 2.346 2.808 -1.421) 3.926 2.773 ( 1.275 0.979 -4.631) 4.902 2.896 ( -3.470 -0.272 7.609) 8.368 3.140 ( 0.737 5.417 0.088) 5.467 3.247 ( -0.713 4.069 -3.297) 5.286 3.322 ( 0.718 1.466 -0.550) 1.722 3.665 ( 5.909 -4.140 10.037) 12.361 4.009 ( 0.914 -8.522 9.489) 12.786 4.323 ( -2.543 0.228 0.137) 2.557 4.580 ( 1.302 3.542 3.001) 4.821 4.666 ( -0.242 4.762 -1.077) 4.889 4.904 ( 0.128 4.168 -2.238) 4.732 5.087 ( 8.719 -0.750 -7.773) 11.705 5.805 ( -1.144 6.056 1.153) 6.270 7.106 ( -2.495 -5.088 1.793) 5.944 7.355 ( -7.541 -1.806 1.740) 7.947 7.715 ( 4.225 2.031 -2.077) 5.127 8.071 ( 0.040 -3.100 -4.244) 5.255 8.549 ( 3.606 -10.723 4.078) 12.026 8.770 ( 0.582 -2.646 9.865) 10.231 9.268 ( -2.928 1.613 0.226) 3.351 9.449 ( 4.069 -6.802 -1.389) 8.047 9.856 ( -3.475 -10.139 23.995) 26.280 10.103 ( 1.184 -4.305 21.553) 22.011 10.736 ( -2.668 -15.927 -0.784) 16.167 10.944 ( 0.187 -7.093 15.743) 17.269 11.526 ( 3.843 -9.044 12.648) 16.016 11.848 ( -4.525 -4.351 14.356) 15.668 12.335 ( 2.415 -13.160 10.987) 17.313 12.829 ( -0.828 12.212 4.192) 12.938 13.014 ( 0.170 1.079 2.242) 2.494 13.786 ( -13.717 -3.305 -1.046) 14.149 14.059 ( -6.236 2.443 -1.310) 6.824 14.933 ( 7.517 18.775 -2.923) 20.434 16.106 ( -1.770 0.906 -14.685) 14.819 16.216 ( 4.309 4.065 -12.377) 13.722 20.750 ( -0.397 -4.066 -5.077) 6.517 20.952 ( -6.414 2.218 -4.889) 8.364 21.989 ( -0.293 0.174 1.559) 1.595 22.614 ( 10.354 10.213 -8.950) 17.077 22.975 ( 0.042 2.384 12.096) 12.328 23.899 ( -0.261 -1.315 -4.383) 4.584 ======================= Grid point 230 (73/155) ======================= q-point: ( 0.50 0.10 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 2.766 -5.296 5.094) 7.852 1.460 ( 2.157 -3.705 2.882) 5.165 1.788 ( -4.272 -1.866 7.873) 9.149 2.022 ( -0.553 6.122 0.909) 6.214 2.325 ( 2.108 -8.122 -11.638) 14.348 2.420 ( -4.520 -3.812 -2.653) 6.481 2.630 ( -0.351 2.301 -7.294) 7.657 2.708 ( -3.261 3.561 -6.856) 8.386 2.909 ( 0.199 -2.046 6.565) 6.879 3.044 ( 5.357 7.303 0.147) 9.059 3.178 ( -2.866 1.447 0.241) 3.220 3.287 ( 0.212 2.454 -1.429) 2.848 3.737 ( 3.530 0.236 6.560) 7.453 4.189 ( 0.595 -10.155 10.769) 14.814 4.317 ( -3.003 -1.451 3.729) 5.003 4.514 ( 1.747 4.662 5.994) 7.792 4.567 ( -1.541 5.171 3.197) 6.272 4.822 ( 2.736 4.975 -2.715) 6.293 5.128 ( 4.292 1.067 -7.803) 8.970 5.708 ( -0.232 3.826 2.467) 4.558 7.210 ( -1.471 -7.060 0.051) 7.211 7.356 ( -6.417 -2.869 1.434) 7.174 7.678 ( 4.990 4.642 0.413) 6.828 8.112 ( 0.599 -1.107 -13.680) 13.738 8.614 ( 1.021 0.864 10.024) 10.113 8.892 ( -1.279 -7.373 3.464) 8.246 9.200 ( -1.078 3.597 1.794) 4.161 9.586 ( 1.208 -5.173 -1.030) 5.411 10.039 ( -0.082 -9.076 26.386) 27.903 10.158 ( 0.701 -1.232 27.335) 27.371 10.970 ( -0.188 -10.711 6.512) 12.536 11.058 ( -0.542 -4.872 11.424) 12.432 11.670 ( 1.589 -4.109 14.712) 15.357 11.942 ( -1.737 -9.319 14.623) 17.427 12.481 ( 0.945 13.089 7.246) 14.991 12.739 ( 5.684 -10.365 6.119) 13.311 13.048 ( -4.652 -9.979 1.437) 11.103 13.764 ( -6.998 0.564 -2.596) 7.485 13.890 ( -4.337 10.665 -1.020) 11.558 14.712 ( 3.817 8.816 -1.856) 9.785 16.072 ( -0.801 1.591 -15.061) 15.166 16.175 ( 2.270 2.695 -15.523) 15.918 20.809 ( 0.497 -2.269 -4.930) 5.450 20.894 ( -3.346 0.537 -4.457) 5.598 21.986 ( -0.302 -0.060 1.534) 1.565 22.494 ( 4.942 7.848 -6.723) 11.455 22.942 ( -0.419 1.055 12.837) 12.887 23.912 ( -0.146 -0.428 -4.789) 4.811 ======================= Grid point 231 (74/155) ======================= q-point: (-0.40 0.10 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -7.856 5.321 7.719) 12.232 1.551 ( 6.675 -1.969 0.552) 6.981 1.851 ( 1.301 -3.080 2.756) 4.333 1.927 ( -0.538 -0.215 5.479) 5.509 2.389 ( -4.063 3.297 -8.639) 10.100 2.501 ( 3.315 -3.608 -7.020) 8.561 2.584 ( -0.517 -2.459 -10.242) 10.546 2.700 ( -3.113 -3.232 -8.719) 9.806 2.921 ( 2.643 3.644 4.095) 6.085 2.988 ( 5.599 0.255 4.298) 7.063 3.155 ( -2.941 -0.786 2.058) 3.675 3.251 ( -1.225 0.854 -0.744) 1.668 3.709 ( -1.445 2.807 5.205) 6.088 4.289 ( -1.164 2.661 8.271) 8.766 4.378 ( -1.428 -7.124 7.613) 10.524 4.460 ( 0.236 0.551 3.833) 3.880 4.478 ( -0.153 2.210 5.160) 5.615 4.784 ( 4.816 1.534 -2.020) 5.443 5.096 ( -1.387 3.431 -7.278) 8.164 5.670 ( -0.161 0.005 2.973) 2.977 7.300 ( 0.000 -1.351 -3.184) 3.459 7.377 ( -3.998 -3.779 4.327) 6.999 7.637 ( 4.820 2.603 0.759) 5.530 8.114 ( -0.145 0.796 -17.797) 17.816 8.614 ( 0.941 -0.331 11.915) 11.957 8.947 ( -3.349 0.705 3.033) 4.573 9.167 ( 1.267 -1.254 0.344) 1.815 9.635 ( 0.024 0.421 -2.879) 2.910 10.124 ( 0.395 0.241 29.924) 29.928 10.163 ( -0.260 0.723 30.880) 30.890 11.083 ( -0.443 2.022 7.526) 7.806 11.101 ( 0.577 -2.302 9.033) 9.340 11.702 ( 0.129 0.646 15.520) 15.534 12.167 ( -0.434 -12.965 12.917) 18.307 12.196 ( 0.410 12.371 13.898) 18.611 12.804 ( 0.905 4.693 2.696) 5.488 13.416 ( -1.496 -25.223 -0.932) 25.285 13.468 ( 2.040 21.281 -1.375) 21.423 13.877 ( -3.324 -7.192 0.248) 7.927 14.641 ( 1.804 2.090 -2.799) 3.932 16.053 ( -0.206 -0.132 -15.012) 15.014 16.147 ( 0.204 1.255 -16.962) 17.010 20.820 ( -0.724 0.655 -4.959) 5.054 20.911 ( 1.142 -2.957 -4.780) 5.736 21.987 ( -0.200 -0.166 1.527) 1.549 22.406 ( 0.220 3.466 -5.072) 6.147 22.931 ( -0.409 -0.091 13.000) 13.007 23.916 ( 0.004 -0.107 -4.940) 4.941 ======================= Grid point 232 (75/155) ======================= q-point: (-0.30 0.10 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -6.207 6.032 7.994) 11.782 1.483 ( 0.914 10.992 0.052) 11.030 1.941 ( 5.697 -5.741 6.281) 10.240 2.030 ( -0.202 -6.880 1.299) 7.005 2.266 ( -1.970 5.898 -12.127) 13.628 2.541 ( 3.761 0.068 -2.279) 4.398 2.633 ( -0.536 1.628 -6.015) 6.255 2.734 ( -0.806 -2.563 -6.495) 7.028 2.907 ( -0.363 -2.402 -1.488) 2.848 3.030 ( 3.596 0.476 5.215) 6.352 3.180 ( -1.335 -3.518 3.661) 5.249 3.250 ( -2.441 -2.904 1.376) 4.036 3.640 ( -2.696 3.002 6.092) 7.307 4.165 ( -1.092 8.345 8.864) 12.223 4.407 ( 2.324 0.934 0.343) 2.528 4.489 ( 0.803 -3.912 7.169) 8.206 4.559 ( -2.815 -6.506 0.415) 7.101 4.823 ( 4.540 -2.044 -1.753) 5.279 4.998 ( -5.894 3.951 -5.903) 9.230 5.711 ( -0.001 -4.545 3.141) 5.525 7.263 ( 2.045 4.668 -2.069) 5.500 7.409 ( -2.182 -0.811 2.700) 3.565 7.663 ( 3.043 -2.353 -0.153) 3.850 8.097 ( -0.461 0.722 -13.042) 13.070 8.614 ( 0.896 2.256 7.245) 7.641 8.850 ( -3.128 6.147 6.734) 9.639 9.241 ( 1.457 -4.582 -2.472) 5.407 9.559 ( -0.692 7.790 -3.211) 8.454 10.056 ( 1.018 6.571 32.998) 33.661 10.129 ( -1.221 2.458 27.462) 27.599 10.977 ( 0.232 8.636 3.281) 9.241 11.069 ( 0.249 5.461 13.362) 14.437 11.637 ( -0.718 6.949 12.948) 14.712 11.985 ( 1.144 7.088 16.828) 18.296 12.479 ( 0.790 -15.043 8.915) 17.505 12.618 ( -3.295 12.809 5.751) 14.422 13.155 ( 2.862 11.014 0.476) 11.390 13.803 ( -0.457 -12.529 -8.201) 14.981 14.074 ( 4.779 -15.620 5.053) 17.098 14.637 ( -1.244 -1.307 -3.066) 3.558 16.076 ( -0.648 -2.508 -14.174) 14.409 16.135 ( -0.333 -0.036 -16.154) 16.158 20.797 ( -0.275 1.494 -5.454) 5.661 20.995 ( 3.242 -4.694 -6.244) 8.457 21.989 ( -0.070 -0.171 1.598) 1.609 22.371 ( -3.432 -0.550 -4.521) 5.702 22.940 ( -0.348 -1.084 13.215) 13.264 23.916 ( 0.093 0.254 -4.870) 4.878 ======================= Grid point 233 (76/155) ======================= q-point: (-0.20 0.10 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -3.197 5.939 5.102) 8.458 1.247 ( -1.148 13.447 6.028) 14.781 2.033 ( 5.777 2.386 4.220) 7.542 2.083 ( -1.652 2.444 -5.015) 5.818 2.230 ( 0.389 -4.301 -5.288) 6.828 2.504 ( 1.481 5.314 4.161) 6.910 2.615 ( -0.737 -2.707 0.705) 2.893 2.772 ( 1.440 -0.768 -3.726) 4.067 2.950 ( 1.754 1.659 0.438) 2.454 3.013 ( -7.052 -3.621 -3.746) 8.768 3.244 ( 1.441 -3.593 12.545) 13.129 3.337 ( 0.232 -5.944 -2.621) 6.501 3.575 ( -1.458 2.479 6.432) 7.045 4.007 ( 0.026 8.366 8.783) 12.130 4.440 ( 5.242 -1.855 -3.338) 6.485 4.560 ( -0.100 -2.108 -2.314) 3.132 4.618 ( -4.315 -3.406 0.431) 5.514 4.858 ( -1.388 1.812 -5.259) 5.733 4.946 ( -1.322 -3.000 -0.331) 3.296 5.827 ( 0.346 -7.530 2.060) 7.814 7.187 ( 2.198 4.549 -0.086) 5.053 7.399 ( -1.684 -0.487 1.719) 2.455 7.726 ( 2.091 -1.903 -2.254) 3.616 8.063 ( -0.275 4.247 -4.251) 6.015 8.481 ( -1.085 12.919 0.113) 12.965 8.735 ( -0.959 3.898 11.698) 12.368 9.324 ( 0.900 -3.166 -3.706) 4.957 9.380 ( -0.985 9.620 -3.095) 10.153 9.934 ( 1.606 7.237 35.346) 36.115 10.065 ( -1.040 3.303 16.631) 16.988 10.786 ( 0.812 13.024 -2.514) 13.289 10.937 ( -0.188 8.316 18.001) 19.830 11.465 ( -0.799 10.056 11.498) 15.296 11.932 ( 1.292 1.322 16.505) 16.608 12.299 ( -0.404 12.424 10.828) 16.486 12.806 ( -0.726 -15.796 5.632) 16.786 13.059 ( 1.181 3.051 0.148) 3.275 13.905 ( 0.311 -1.146 -9.936) 10.007 14.429 ( 14.768 -13.686 4.106) 20.549 14.674 ( -11.500 -7.382 -1.450) 13.742 16.126 ( -1.125 -3.319 -12.387) 12.873 16.144 ( 0.225 -0.908 -14.048) 14.079 20.757 ( 0.131 3.010 -5.908) 6.632 21.123 ( 3.747 -6.774 -9.016) 11.883 21.992 ( -0.022 -0.211 1.650) 1.663 22.374 ( -4.785 -2.488 -4.585) 7.078 22.965 ( -0.262 -1.873 13.662) 13.792 23.904 ( 0.080 1.254 -4.542) 4.713 ======================= Grid point 234 (77/155) ======================= q-point: (-0.10 0.10 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.000 8.734 3.000) 9.234 1.034 ( -0.000 7.992 14.784) 16.806 1.882 ( -0.000 15.788 13.636) 20.861 1.991 ( -0.000 4.375 -8.427) 9.495 2.336 ( 0.000 -5.560 -2.431) 6.068 2.465 ( 0.000 -0.216 6.852) 6.855 2.689 ( 0.000 -4.523 -0.501) 4.551 2.780 ( -0.000 0.555 -0.050) 0.557 2.880 ( -0.000 2.865 3.544) 4.557 3.095 ( 0.000 -5.471 2.159) 5.882 3.335 ( 0.000 -5.673 7.693) 9.559 3.417 ( 0.000 -1.619 -3.703) 4.042 3.535 ( -0.000 1.380 6.540) 6.684 3.872 ( -0.000 5.684 7.083) 9.082 4.512 ( 0.000 -1.708 -4.015) 4.363 4.539 ( -0.000 1.431 -10.151) 10.251 4.670 ( 0.000 -3.055 -0.999) 3.214 4.797 ( -0.000 3.505 -5.150) 6.229 5.004 ( 0.000 -2.527 -0.723) 2.628 5.956 ( 0.000 -5.414 -1.662) 5.663 7.158 ( 0.000 -1.727 5.176) 5.456 7.425 ( 0.000 -2.985 0.465) 3.021 7.740 ( -0.000 1.416 -4.414) 4.636 7.856 ( -0.000 18.628 5.454) 19.410 8.240 ( -0.000 10.301 -6.622) 12.246 8.711 ( 0.000 -1.810 14.960) 15.069 9.201 ( -0.000 11.211 -7.814) 13.665 9.353 ( -0.000 0.586 -0.612) 0.847 9.821 ( -0.000 5.664 34.849) 35.306 10.021 ( -0.000 0.596 5.180) 5.214 10.523 ( -0.000 14.986 -4.918) 15.772 10.789 ( -0.000 7.308 21.391) 22.605 11.286 ( -0.000 9.245 10.557) 14.033 11.887 ( -0.000 4.396 14.306) 14.966 12.250 ( 0.000 -7.156 14.055) 15.772 13.021 ( -0.000 1.722 -1.308) 2.162 13.054 ( 0.000 -11.456 2.439) 11.713 13.889 ( -0.000 2.338 -11.375) 11.613 14.650 ( 0.000 -2.093 2.079) 2.950 14.823 ( 0.000 -15.716 2.317) 15.886 16.163 ( 0.000 -0.908 -11.866) 11.901 16.176 ( 0.000 -2.402 -10.166) 10.446 20.684 ( -0.000 5.228 -5.075) 7.285 21.273 ( 0.000 -7.528 -12.454) 14.552 21.995 ( 0.000 -0.136 1.626) 1.632 22.402 ( 0.000 -2.656 -4.896) 5.570 23.005 ( 0.000 -2.720 14.036) 14.297 23.869 ( -0.000 2.662 -3.872) 4.699 ======================= Grid point 237 (78/155) ======================= q-point: ( 0.20 0.20 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 19.342 -0.000 2.658) 19.524 1.068 ( 8.386 -0.000 15.834) 17.918 1.470 ( -0.218 0.000 18.880) 18.882 1.921 ( 0.775 -0.000 -6.507) 6.553 2.447 ( 0.358 -0.000 10.399) 10.406 2.519 ( 1.928 -0.000 8.401) 8.620 2.699 ( -0.481 0.000 -2.129) 2.183 2.769 ( 7.864 -0.000 -1.292) 7.969 3.026 ( -7.462 0.000 3.577) 8.275 3.076 ( -5.242 0.000 4.321) 6.794 3.311 ( -2.891 0.000 8.157) 8.654 3.336 ( -1.350 0.000 -1.679) 2.154 3.533 ( -3.843 0.000 2.796) 4.753 3.804 ( -2.892 0.000 -1.227) 3.142 4.484 ( 0.927 -0.000 -7.864) 7.918 4.568 ( 5.471 -0.000 -6.744) 8.685 4.785 ( 5.220 -0.000 -6.228) 8.126 4.869 ( 8.552 -0.000 -6.157) 10.538 5.014 ( -2.644 0.000 -5.541) 6.139 5.953 ( -1.516 0.000 -8.118) 8.258 7.177 ( -9.189 0.000 5.157) 10.538 7.347 ( -2.799 0.000 3.864) 4.772 7.695 ( 2.417 -0.000 -0.294) 2.434 7.807 ( 2.107 -0.000 0.126) 2.111 7.937 ( 10.280 -0.000 8.106) 13.091 8.661 ( -5.311 0.000 -4.338) 6.858 8.998 ( 6.588 -0.000 1.388) 6.733 9.319 ( 5.203 -0.000 12.795) 13.813 9.611 ( -5.358 0.000 31.211) 31.667 9.919 ( -12.396 0.000 -0.291) 12.399 10.137 ( -5.239 0.000 0.012) 5.239 10.741 ( 4.987 -0.000 17.978) 18.657 11.087 ( 1.280 -0.000 11.654) 11.724 11.712 ( -6.180 0.000 14.745) 15.988 12.575 ( -0.162 0.000 -6.620) 6.622 12.970 ( -2.809 0.000 -4.437) 5.252 13.041 ( -15.804 0.000 26.073) 30.489 13.836 ( 1.244 -0.000 -13.643) 13.699 13.957 ( -20.957 0.000 24.715) 32.404 15.771 ( 18.829 -0.000 -23.261) 29.927 16.123 ( -3.193 0.000 -11.102) 11.552 16.292 ( 4.670 -0.000 -6.537) 8.034 20.497 ( -1.204 0.000 2.187) 2.496 21.104 ( -12.775 0.000 -4.563) 13.566 21.999 ( 0.098 -0.000 1.492) 1.495 22.868 ( 12.163 -0.000 -2.419) 12.401 23.200 ( 10.368 -0.000 -8.452) 13.377 23.786 ( 0.274 -0.000 -1.966) 1.985 ======================= Grid point 238 (79/155) ======================= q-point: ( 0.30 0.20 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 10.757 1.098 11.261) 15.612 1.158 ( 13.229 -3.099 7.696) 15.616 1.537 ( -0.098 -5.759 10.766) 12.210 1.945 ( 0.528 -2.295 -7.602) 7.959 2.363 ( -1.427 6.070 8.289) 10.373 2.549 ( 2.245 1.451 4.237) 5.010 2.716 ( -0.797 -1.423 -1.052) 1.941 2.825 ( 2.054 3.383 2.774) 4.833 2.881 ( -0.217 0.160 1.966) 1.984 3.159 ( -3.406 -5.068 9.151) 11.001 3.277 ( -7.133 0.161 0.425) 7.148 3.335 ( 2.569 -0.597 -1.640) 3.106 3.525 ( -3.602 -2.287 5.164) 6.699 3.815 ( -1.218 -3.017 1.725) 3.682 4.423 ( 1.733 5.162 -6.390) 8.395 4.626 ( 1.739 -1.135 -7.625) 7.902 4.810 ( 4.410 1.791 -5.723) 7.444 4.924 ( 1.614 -0.484 -2.218) 2.785 5.027 ( 6.370 -2.481 -7.273) 9.981 5.950 ( -2.365 0.133 -7.406) 7.776 7.108 ( -6.390 2.940 6.050) 9.278 7.314 ( -5.744 -0.025 3.200) 6.575 7.698 ( 5.921 0.926 2.856) 6.638 7.791 ( 3.423 -6.284 5.552) 9.057 8.133 ( 1.839 -6.643 2.753) 7.422 8.814 ( 1.190 -11.561 3.712) 12.200 9.001 ( 3.166 -1.694 -1.477) 3.882 9.388 ( 5.394 -1.377 0.512) 5.591 9.621 ( -4.467 -4.398 31.732) 32.345 9.858 ( -9.539 -3.538 4.561) 11.149 10.174 ( -7.620 -8.586 -1.999) 11.652 10.781 ( 3.886 -1.362 17.724) 18.196 11.171 ( 2.253 -7.663 11.113) 13.686 11.693 ( -6.986 -2.575 14.311) 16.132 12.416 ( -1.552 12.248 9.704) 15.703 12.930 ( -3.052 -0.587 0.332) 3.125 13.075 ( -7.562 -6.360 13.031) 16.354 13.752 ( -9.963 3.855 4.697) 11.670 13.949 ( -6.369 -5.502 1.445) 8.540 15.696 ( 12.865 17.532 -18.253) 28.391 16.106 ( -2.981 -0.361 -12.152) 12.517 16.325 ( 5.171 0.575 -8.078) 9.608 20.546 ( -1.477 -5.566 -0.400) 5.773 21.023 ( -9.370 1.096 -4.152) 10.307 21.998 ( -0.005 0.177 1.476) 1.486 22.903 ( 8.177 2.845 2.306) 8.960 23.187 ( 9.567 8.201 -11.508) 17.065 23.815 ( 0.033 -2.530 -2.581) 3.614 ======================= Grid point 239 (80/155) ======================= q-point: ( 0.40 0.20 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 6.043 -2.717 9.571) 11.641 1.301 ( 12.599 -2.637 3.522) 13.345 1.630 ( -5.701 -6.450 9.391) 12.739 2.015 ( 0.237 -5.115 -9.928) 11.171 2.242 ( -2.425 5.108 3.050) 6.424 2.467 ( -2.640 5.800 0.375) 6.384 2.723 ( 1.813 0.641 -0.324) 1.950 2.810 ( 3.981 0.931 2.265) 4.674 2.872 ( -3.146 0.933 5.198) 6.147 3.175 ( -4.583 1.302 2.979) 5.619 3.254 ( -4.534 -2.541 -0.807) 5.260 3.360 ( 1.329 1.065 -5.632) 5.884 3.607 ( 5.986 -6.273 11.930) 14.748 3.896 ( 0.902 -5.647 7.129) 9.139 4.345 ( -0.155 3.690 -3.085) 4.812 4.630 ( 1.076 1.340 -3.909) 4.270 4.763 ( 1.745 5.010 -3.560) 6.389 4.925 ( -1.719 -0.186 -1.172) 2.089 5.132 ( 9.526 -1.610 -8.361) 12.776 5.893 ( -2.313 4.249 -3.302) 5.857 7.043 ( -2.239 -0.127 4.280) 4.832 7.271 ( -9.273 -0.915 3.728) 10.036 7.757 ( 6.320 -0.981 -1.550) 6.580 7.982 ( 0.880 -8.050 3.416) 8.789 8.287 ( 1.294 -14.090 6.408) 15.533 8.837 ( 4.953 5.533 10.845) 13.144 9.183 ( -3.021 -9.481 -1.316) 10.037 9.422 ( 5.482 -0.231 -1.750) 5.759 9.675 ( -5.728 -5.915 18.377) 20.138 9.977 ( -0.761 -10.178 17.755) 20.479 10.371 ( -7.185 -18.711 -6.324) 21.017 10.846 ( 1.869 -3.854 17.422) 17.941 11.371 ( 4.395 -11.034 11.303) 16.396 11.718 ( -6.921 -5.157 13.545) 16.062 12.253 ( 0.642 3.134 17.219) 17.514 12.914 ( -3.312 1.398 -2.062) 4.144 13.103 ( 1.820 1.776 7.742) 8.149 13.627 ( -16.267 -0.232 8.088) 18.168 14.010 ( -2.493 -3.701 -5.312) 6.937 15.378 ( 8.038 23.103 -9.371) 26.195 16.097 ( -2.258 -0.345 -13.861) 14.048 16.319 ( 4.671 3.461 -9.873) 11.457 20.649 ( -1.240 -6.159 -3.403) 7.145 20.947 ( -6.191 1.659 -4.225) 7.676 21.992 ( -0.205 0.328 1.502) 1.552 22.869 ( 9.101 7.430 -2.656) 12.046 23.062 ( 3.123 8.443 -1.209) 9.083 23.862 ( -0.223 -2.460 -3.516) 4.297 ======================= Grid point 240 (81/155) ======================= q-point: ( 0.50 0.20 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 2.310 -4.398 5.596) 7.483 1.414 ( 7.653 -3.007 3.900) 9.101 1.698 ( -5.979 -4.860 10.195) 12.779 2.090 ( -0.189 0.413 -3.110) 3.143 2.202 ( -0.142 -4.653 -10.205) 11.216 2.367 ( -3.215 2.125 0.406) 3.875 2.688 ( 1.086 3.742 -2.599) 4.683 2.770 ( -2.607 4.312 -5.380) 7.371 2.870 ( 0.622 -2.021 9.259) 9.497 3.129 ( -3.189 0.663 1.775) 3.709 3.231 ( 0.270 4.000 -3.587) 5.379 3.327 ( -0.587 1.989 -3.636) 4.186 3.753 ( 7.111 -2.701 9.352) 12.055 4.029 ( 1.963 -8.150 11.488) 14.221 4.293 ( -2.462 1.019 2.089) 3.386 4.596 ( 1.038 3.105 1.590) 3.639 4.666 ( 0.391 6.182 -0.160) 6.196 4.898 ( -0.829 2.334 -2.090) 3.241 5.190 ( 6.807 1.058 -8.651) 11.059 5.791 ( -0.907 5.200 0.325) 5.288 7.087 ( -0.382 -5.080 2.014) 5.478 7.248 ( -8.400 -3.116 2.023) 9.185 7.781 ( 5.187 2.627 -0.204) 5.818 8.068 ( -0.505 -3.666 -5.205) 6.386 8.594 ( 3.287 -11.554 6.190) 13.514 8.768 ( -0.805 1.313 8.805) 8.939 9.233 ( -2.469 0.334 2.356) 3.429 9.502 ( 3.904 -4.623 1.292) 6.187 9.816 ( -2.738 -12.682 18.443) 22.549 10.115 ( 0.667 -4.588 21.848) 22.334 10.702 ( -2.517 -18.434 -0.296) 18.608 10.946 ( 0.092 -6.222 15.097) 16.329 11.581 ( 4.583 -7.648 13.644) 16.299 11.789 ( -4.515 -6.731 13.157) 15.453 12.369 ( 2.820 -14.894 10.952) 18.701 12.797 ( -3.646 9.340 2.016) 10.227 13.048 ( 4.887 5.721 4.358) 8.695 13.581 ( -16.283 -6.523 6.156) 18.589 14.024 ( -0.758 2.210 -7.146) 7.518 15.011 ( 4.649 20.244 -3.341) 21.038 16.085 ( -1.466 0.481 -15.413) 15.490 16.267 ( 3.363 4.810 -12.066) 13.418 20.745 ( -0.346 -4.820 -4.436) 6.560 20.887 ( -3.719 1.294 -4.140) 5.714 21.985 ( -0.308 0.208 1.542) 1.586 22.733 ( 7.887 12.842 -10.211) 18.204 22.968 ( -1.095 2.584 11.539) 11.875 23.896 ( -0.210 -1.353 -4.285) 4.498 ======================= Grid point 241 (82/155) ======================= q-point: ( 0.60 0.20 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -2.641 -0.413 6.156) 6.711 1.516 ( 4.818 -4.441 3.628) 7.490 1.751 ( -1.732 -5.060 7.600) 9.293 2.016 ( -0.326 6.036 0.531) 6.068 2.339 ( -0.502 -4.788 -5.222) 7.103 2.382 ( -0.843 -7.981 -9.980) 12.807 2.624 ( -0.746 4.221 -7.992) 9.069 2.668 ( -2.416 2.806 -5.856) 6.928 2.925 ( 2.025 -2.676 7.845) 8.532 3.099 ( 0.567 2.408 2.710) 3.669 3.143 ( 0.117 4.358 -2.760) 5.159 3.282 ( -0.870 2.551 -2.438) 3.634 3.768 ( 1.341 3.267 5.229) 6.310 4.204 ( 2.034 -8.823 10.408) 13.795 4.283 ( -2.685 -1.852 6.400) 7.183 4.532 ( 0.925 4.696 5.794) 7.515 4.552 ( -0.645 5.804 3.865) 7.003 4.849 ( 1.375 2.455 -2.452) 3.732 5.176 ( 2.948 4.135 -8.797) 10.157 5.705 ( -0.223 3.616 2.075) 4.175 7.201 ( 0.080 -6.952 1.434) 7.099 7.277 ( -5.396 -4.502 0.268) 7.033 7.741 ( 3.997 4.473 1.342) 6.147 8.119 ( 0.376 -1.239 -14.381) 14.439 8.631 ( 1.351 2.377 10.580) 10.928 8.863 ( -2.572 -7.307 3.696) 8.583 9.190 ( -0.447 2.335 1.732) 2.942 9.600 ( 0.849 -3.803 1.131) 4.058 10.040 ( 0.244 -10.094 24.489) 26.489 10.163 ( 0.225 -0.861 25.792) 25.807 10.969 ( -0.041 -11.727 7.733) 14.047 11.052 ( -0.420 -4.741 11.095) 12.073 11.688 ( 1.113 -2.465 15.474) 15.709 11.924 ( -0.986 -10.445 13.686) 17.245 12.494 ( 0.915 15.210 7.275) 16.885 12.812 ( 5.359 -17.302 4.855) 18.752 12.991 ( -4.036 -3.820 2.238) 5.990 13.656 ( -7.706 -9.640 2.281) 12.551 13.867 ( -0.498 15.189 -5.406) 16.130 14.754 ( 2.496 9.808 -1.848) 10.288 16.063 ( -0.578 0.995 -16.158) 16.199 16.200 ( 1.453 3.983 -14.625) 15.228 20.813 ( 0.062 -1.915 -4.959) 5.316 20.863 ( -1.434 -1.381 -3.847) 4.331 21.982 ( -0.261 -0.097 1.560) 1.585 22.548 ( 3.146 10.518 -7.960) 13.560 22.934 ( -0.680 0.814 13.331) 13.373 23.911 ( -0.088 -0.508 -4.746) 4.774 ======================= Grid point 242 (83/155) ======================= q-point: (-0.30 0.20 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -3.422 6.270 9.270) 11.703 1.614 ( 2.595 -0.132 -0.870) 2.740 1.870 ( 1.202 -7.237 3.459) 8.111 1.919 ( -0.588 1.129 5.534) 5.679 2.348 ( -1.844 2.629 -8.224) 8.829 2.537 ( 2.243 -1.507 -6.845) 7.359 2.571 ( -1.459 -5.331 -10.414) 11.790 2.672 ( -1.074 -3.257 -11.166) 11.680 2.947 ( 1.321 3.411 10.068) 10.711 3.068 ( 5.563 0.077 2.005) 5.913 3.117 ( -2.670 -1.601 1.027) 3.278 3.223 ( -2.376 2.379 -0.884) 3.477 3.692 ( -0.853 4.240 4.195) 6.025 4.274 ( -0.769 2.790 5.608) 6.310 4.363 ( -0.721 -6.404 8.325) 10.528 4.466 ( 0.753 0.464 4.385) 4.473 4.475 ( -0.453 1.731 7.130) 7.351 4.840 ( 2.912 0.047 -0.990) 3.076 5.077 ( -1.145 6.976 -8.647) 11.169 5.668 ( -0.107 -0.004 2.952) 2.954 7.302 ( 0.250 -1.689 -3.247) 3.668 7.334 ( -2.071 -5.397 4.112) 7.094 7.688 ( 2.362 2.970 1.288) 4.007 8.112 ( -0.119 1.342 -17.798) 17.849 8.627 ( 0.763 -0.721 11.070) 11.120 8.908 ( -2.067 1.172 4.985) 5.522 9.180 ( 0.595 -1.943 -1.636) 2.609 9.636 ( 0.016 0.719 -2.007) 2.132 10.129 ( 0.308 0.340 31.418) 31.421 10.159 ( -0.225 1.213 29.122) 29.148 11.079 ( -0.164 2.066 6.507) 6.829 11.106 ( 0.246 -2.525 10.237) 10.547 11.704 ( 0.080 1.050 15.361) 15.397 12.162 ( -0.198 -15.998 13.559) 20.972 12.200 ( 0.182 15.034 13.415) 20.150 12.816 ( 0.584 8.006 2.795) 8.500 13.402 ( -0.615 -28.142 -1.260) 28.177 13.490 ( 1.056 21.959 -1.895) 22.066 13.837 ( -2.102 -11.816 1.289) 12.071 14.662 ( 1.035 2.961 -3.117) 4.422 16.051 ( -0.123 -0.133 -16.050) 16.051 16.149 ( 0.121 1.948 -15.989) 16.108 20.813 ( -0.348 0.618 -5.080) 5.129 20.923 ( 0.608 -4.379 -4.806) 6.530 21.984 ( -0.125 -0.242 1.588) 1.611 22.409 ( 0.139 5.658 -5.324) 7.771 22.926 ( -0.256 -0.190 13.324) 13.327 23.916 ( 0.003 -0.173 -4.934) 4.937 ======================= Grid point 243 (84/155) ======================= q-point: (-0.20 0.20 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -0.000 5.762 8.592) 10.345 1.489 ( -0.000 12.170 -0.020) 12.170 1.985 ( 0.000 -6.575 6.535) 9.270 2.025 ( 0.000 -7.449 0.753) 7.487 2.251 ( -0.000 5.584 -12.322) 13.529 2.569 ( 0.000 -2.078 -1.823) 2.764 2.625 ( -0.000 2.878 -6.384) 7.002 2.728 ( 0.000 -3.295 -7.615) 8.298 2.906 ( 0.000 -1.169 0.900) 1.476 3.057 ( -0.000 4.741 -0.012) 4.741 3.172 ( 0.000 -4.582 11.263) 12.159 3.229 ( 0.000 -4.741 -0.806) 4.809 3.622 ( -0.000 3.179 5.151) 6.054 4.157 ( -0.000 8.048 8.096) 11.416 4.420 ( 0.000 -1.117 1.204) 1.642 4.505 ( 0.000 -5.426 9.322) 10.786 4.530 ( 0.000 -3.756 -2.762) 4.662 4.877 ( 0.000 -2.594 0.281) 2.609 4.938 ( -0.000 6.473 -7.572) 9.961 5.711 ( 0.000 -4.698 3.236) 5.705 7.279 ( -0.000 3.728 -3.046) 4.814 7.390 ( 0.000 -0.862 3.304) 3.415 7.686 ( 0.000 -2.001 0.172) 2.008 8.094 ( -0.000 0.602 -13.104) 13.118 8.622 ( -0.000 2.965 6.155) 6.832 8.826 ( -0.000 5.664 8.040) 9.835 9.251 ( 0.000 -4.644 -3.763) 5.977 9.555 ( -0.000 8.212 -3.074) 8.768 10.064 ( -0.000 6.002 35.596) 36.099 10.120 ( -0.000 2.849 25.876) 26.033 10.979 ( -0.000 8.267 2.636) 8.677 11.071 ( -0.000 5.631 13.876) 14.975 11.633 ( -0.000 7.349 12.659) 14.637 11.993 ( -0.000 6.732 17.168) 18.441 12.487 ( 0.000 -18.481 10.048) 21.036 12.594 ( -0.000 16.586 4.809) 17.269 13.174 ( -0.000 10.985 0.298) 10.989 13.799 ( 0.000 -12.713 -8.216) 15.137 14.104 ( 0.000 -19.563 5.461) 20.311 14.630 ( -0.000 1.091 -3.543) 3.707 16.071 ( 0.000 -2.133 -14.675) 14.829 16.133 ( 0.000 -0.082 -15.637) 15.637 20.795 ( -0.000 1.318 -5.572) 5.725 21.018 ( 0.000 -5.693 -6.735) 8.819 21.988 ( 0.000 -0.216 1.644) 1.658 22.348 ( -0.000 1.064 -4.069) 4.205 22.937 ( 0.000 -1.080 13.386) 13.430 23.917 ( -0.000 0.226 -4.882) 4.887 ======================= Grid point 248 (85/155) ======================= q-point: ( 0.30 0.30 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 7.657 -0.000 13.151) 15.217 1.180 ( 12.551 -0.000 10.012) 16.055 1.516 ( 6.535 -0.000 2.940) 7.166 1.930 ( 0.569 -0.000 -7.113) 7.136 2.467 ( 2.821 -0.000 8.270) 8.738 2.534 ( 0.897 -0.000 13.315) 13.345 2.699 ( 0.150 -0.000 -3.684) 3.687 2.870 ( 4.517 -0.000 4.758) 6.561 2.924 ( -4.642 0.000 0.246) 4.648 3.021 ( -3.328 0.000 0.992) 3.472 3.256 ( -5.385 0.000 8.206) 9.815 3.330 ( -0.665 0.000 -3.530) 3.592 3.462 ( -6.289 0.000 3.725) 7.310 3.764 ( -3.095 0.000 0.602) 3.153 4.499 ( 1.167 -0.000 -9.867) 9.936 4.622 ( 2.699 -0.000 -8.710) 9.118 4.855 ( 5.206 -0.000 -3.699) 6.386 4.979 ( 8.073 -0.000 -4.483) 9.235 4.992 ( -0.486 0.000 -6.776) 6.794 5.932 ( -1.549 0.000 -9.974) 10.093 7.079 ( -5.958 0.000 6.229) 8.619 7.316 ( -2.148 0.000 2.615) 3.384 7.727 ( 2.554 -0.000 2.495) 3.571 7.835 ( 2.005 -0.000 0.841) 2.174 8.029 ( 4.320 -0.000 16.974) 17.515 8.603 ( -3.551 0.000 -3.760) 5.172 9.085 ( 7.160 -0.000 0.153) 7.161 9.403 ( 7.348 -0.000 10.483) 12.802 9.559 ( -1.941 0.000 30.348) 30.410 9.750 ( -13.548 0.000 0.743) 13.569 10.045 ( -8.952 0.000 -0.692) 8.979 10.798 ( 3.829 -0.000 16.029) 16.480 11.108 ( 1.995 -0.000 11.959) 12.124 11.624 ( -7.100 0.000 14.328) 15.991 12.574 ( -0.078 0.000 -6.847) 6.848 12.856 ( -11.788 0.000 43.783) 45.342 12.934 ( -2.665 0.000 -4.275) 5.038 13.772 ( -9.457 0.000 14.477) 17.293 13.852 ( 1.191 -0.000 -13.489) 13.542 15.953 ( 10.229 -0.000 -25.807) 27.760 16.082 ( -3.100 0.000 -12.224) 12.611 16.352 ( 4.416 -0.000 -5.800) 7.289 20.481 ( -1.162 0.000 2.141) 2.436 20.979 ( -6.979 0.000 -3.659) 7.879 22.000 ( 0.073 -0.000 1.426) 1.427 22.957 ( 3.477 -0.000 10.490) 11.051 23.345 ( 10.445 -0.000 -23.970) 26.147 23.790 ( 0.268 -0.000 -1.913) 1.931 ======================= Grid point 249 (86/155) ======================= q-point: ( 0.40 0.30 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 5.707 2.425 14.336) 15.619 1.319 ( 10.247 -4.396 7.581) 13.483 1.561 ( 3.365 -0.465 -0.784) 3.486 1.951 ( 0.326 -2.131 -8.331) 8.605 2.361 ( 1.350 8.520 9.627) 12.926 2.553 ( -1.551 4.076 2.935) 5.257 2.711 ( -0.264 -2.175 -3.006) 3.720 2.810 ( -1.437 0.278 10.442) 10.544 2.928 ( 4.797 2.606 -0.110) 5.461 3.110 ( -5.620 -5.895 1.811) 8.344 3.191 ( -3.497 0.569 3.128) 4.726 3.344 ( -3.175 -1.572 -5.414) 6.470 3.505 ( 1.717 -7.644 9.785) 12.535 3.791 ( -2.424 -4.682 3.465) 6.309 4.447 ( 1.694 5.509 -8.119) 9.957 4.643 ( 0.894 -0.461 -8.477) 8.537 4.862 ( 3.568 3.599 -4.177) 6.567 4.920 ( -0.621 1.671 -2.075) 2.736 5.128 ( 7.417 -5.174 -7.626) 11.829 5.921 ( -2.007 0.739 -8.815) 9.071 7.040 ( -4.085 0.840 5.919) 7.241 7.251 ( -3.940 4.133 3.851) 6.887 7.756 ( 3.026 -2.804 5.504) 6.879 7.839 ( 4.007 -4.597 4.779) 7.748 8.139 ( -0.758 -4.756 9.695) 10.825 8.822 ( 0.139 -19.043 1.707) 19.119 9.051 ( 4.473 5.595 3.335) 7.901 9.463 ( 5.489 -0.301 2.316) 5.966 9.572 ( -3.498 -1.698 16.876) 17.318 9.757 ( -4.608 -10.064 12.586) 16.761 10.057 ( -10.507 -8.661 -1.979) 13.760 10.824 ( 2.708 -0.677 16.036) 16.278 11.204 ( 2.777 -8.608 11.476) 14.612 11.603 ( -6.511 -2.528 14.271) 15.889 12.401 ( -0.818 11.547 13.751) 17.975 12.899 ( -1.619 -1.771 2.600) 3.538 12.985 ( -6.044 -9.851 18.209) 21.567 13.637 ( -6.773 7.117 7.095) 12.119 13.919 ( -0.441 -4.687 -9.022) 10.176 15.819 ( 6.732 18.355 -19.340) 27.500 16.071 ( -2.421 -0.702 -13.143) 13.383 16.385 ( 3.936 0.416 -7.883) 8.821 20.529 ( -1.126 -5.421 0.055) 5.537 20.934 ( -4.653 0.819 -3.858) 6.100 21.997 ( -0.026 0.292 1.421) 1.451 22.963 ( 2.427 1.227 12.239) 12.537 23.303 ( 7.535 10.271 -23.036) 26.324 23.815 ( 0.017 -2.290 -2.442) 3.348 ======================= Grid point 250 (87/155) ======================= q-point: ( 0.50 0.30 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 1.708 -1.436 10.834) 11.061 1.450 ( 9.565 -1.979 3.184) 10.273 1.580 ( -2.419 -2.414 5.754) 6.692 2.019 ( 0.318 -5.179 -10.823) 12.003 2.222 ( -0.703 5.804 4.428) 7.334 2.433 ( -2.345 5.942 0.055) 6.388 2.731 ( -0.460 0.174 -3.728) 3.761 2.828 ( -2.241 0.979 10.575) 10.854 2.871 ( 3.912 3.258 1.545) 5.320 3.090 ( -6.523 -0.842 1.046) 6.660 3.246 ( 1.922 -2.425 -1.284) 3.351 3.336 ( -3.834 -0.199 -6.267) 7.350 3.714 ( 9.295 -8.433 12.259) 17.544 3.885 ( -2.893 -7.411 8.985) 12.001 4.348 ( 0.440 5.616 -3.571) 6.670 4.643 ( 0.688 1.255 -5.473) 5.657 4.780 ( 0.942 5.813 -2.286) 6.317 4.910 ( -0.650 0.239 -1.180) 1.368 5.230 ( 5.382 -1.325 -8.588) 10.221 5.868 ( -1.470 3.676 -4.355) 5.885 7.026 ( -0.405 -1.735 3.251) 3.707 7.168 ( -6.256 0.724 5.334) 8.253 7.833 ( 5.114 -0.945 0.769) 5.257 7.979 ( -1.147 -5.791 0.925) 5.976 8.299 ( 0.560 -16.311 11.903) 20.201 8.896 ( 3.922 8.272 9.339) 13.077 9.145 ( -2.557 -9.180 2.651) 9.892 9.490 ( 4.416 -0.108 1.585) 4.694 9.608 ( -4.362 -6.746 9.876) 12.731 9.981 ( 1.333 -10.862 20.109) 22.894 10.278 ( -6.703 -22.610 -7.558) 24.764 10.865 ( 1.140 -2.783 16.160) 16.437 11.433 ( 4.927 -12.511 11.361) 17.603 11.633 ( -6.137 -5.245 13.970) 16.135 12.261 ( 0.587 1.980 17.718) 17.838 12.877 ( -2.203 2.730 -2.565) 4.346 13.131 ( 2.524 -5.814 13.368) 14.794 13.449 ( -10.735 6.262 7.583) 14.559 13.996 ( -0.274 -3.656 -9.056) 9.770 15.453 ( 3.854 23.922 -10.041) 26.229 16.073 ( -1.431 -0.686 -14.548) 14.635 16.368 ( 2.772 3.643 -9.719) 10.743 20.636 ( -0.744 -6.435 -2.694) 7.016 20.891 ( -2.699 1.301 -4.070) 5.054 21.990 ( -0.147 0.438 1.471) 1.542 22.946 ( 3.324 2.886 10.176) 11.087 23.102 ( 2.691 14.176 -15.353) 21.069 23.860 ( -0.138 -2.388 -3.390) 4.149 ======================= Grid point 251 (88/155) ======================= q-point: ( 0.60 0.30 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -0.045 -3.673 7.204) 8.087 1.496 ( 3.972 0.048 2.947) 4.946 1.647 ( -2.060 -5.531 9.957) 11.575 2.089 ( -0.001 1.170 -1.993) 2.312 2.203 ( 0.178 -6.579 -11.825) 13.533 2.337 ( -1.310 2.671 0.454) 3.009 2.696 ( 0.140 3.347 -5.356) 6.317 2.731 ( -2.152 5.181 0.285) 5.618 2.893 ( 1.629 -1.717 6.779) 7.180 3.082 ( -2.650 -0.846 0.615) 2.849 3.250 ( 1.540 3.389 -1.478) 4.005 3.311 ( -1.243 0.998 -5.281) 5.517 3.824 ( 3.237 0.778 7.778) 8.461 4.051 ( 1.184 -10.589 14.527) 18.015 4.264 ( -1.525 2.674 1.815) 3.573 4.604 ( 0.312 3.215 0.107) 3.232 4.673 ( 0.468 6.522 0.824) 6.591 4.888 ( -0.500 1.649 -2.040) 2.670 5.251 ( 2.530 1.690 -8.791) 9.303 5.783 ( -0.340 4.699 -0.316) 4.722 7.100 ( 2.474 -4.990 1.583) 5.791 7.155 ( -5.826 -3.728 2.829) 7.473 7.832 ( 2.342 3.219 1.521) 4.261 8.061 ( -0.453 -4.711 -6.300) 7.880 8.627 ( 1.551 -14.969 7.690) 16.900 8.756 ( -0.782 7.128 7.825) 10.614 9.210 ( -0.972 -0.470 3.575) 3.735 9.540 ( 1.676 -2.982 4.161) 5.386 9.790 ( -1.094 -14.753 14.299) 20.575 10.120 ( 0.238 -4.507 21.569) 22.036 10.677 ( -1.100 -20.448 0.033) 20.478 10.946 ( 0.035 -5.612 14.781) 15.811 11.635 ( 3.288 -4.764 14.892) 15.978 11.737 ( -3.097 -10.126 11.951) 15.967 12.399 ( 1.467 -17.193 11.021) 20.475 12.755 ( -2.084 9.658 0.795) 9.912 13.121 ( 5.085 10.249 4.635) 12.345 13.407 ( -9.174 -10.443 9.064) 16.594 14.021 ( -0.016 2.120 -8.786) 9.038 15.052 ( 1.585 20.757 -3.524) 21.113 16.071 ( -0.567 0.214 -15.878) 15.889 16.297 ( 1.257 5.234 -11.877) 13.040 20.741 ( -0.150 -5.288 -3.985) 6.623 20.856 ( -1.150 1.016 -4.026) 4.308 21.982 ( -0.132 0.247 1.536) 1.562 22.809 ( 3.611 15.140 -12.784) 20.141 22.950 ( -1.308 1.597 13.343) 13.502 23.894 ( -0.080 -1.377 -4.224) 4.443 ======================= Grid point 252 (89/155) ======================= q-point: ( 0.70 0.30 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -0.000 1.394 7.252) 7.384 1.551 ( 0.000 -4.788 3.445) 5.898 1.740 ( 0.000 -5.994 7.402) 9.524 2.014 ( -0.000 6.020 0.359) 6.031 2.330 ( 0.000 -1.924 -1.256) 2.298 2.383 ( 0.000 -11.035 -14.558) 18.268 2.616 ( -0.000 5.307 -8.509) 10.029 2.653 ( -0.000 1.771 -4.847) 5.160 2.943 ( 0.000 -2.836 8.974) 9.412 3.081 ( 0.000 -0.315 0.352) 0.472 3.163 ( -0.000 5.979 -0.781) 6.029 3.273 ( -0.000 2.844 -3.202) 4.283 3.776 ( -0.000 4.570 4.606) 6.489 4.232 ( 0.000 -8.192 13.202) 15.537 4.252 ( 0.000 -2.042 4.274) 4.737 4.537 ( -0.000 4.049 6.170) 7.380 4.549 ( -0.000 6.909 3.801) 7.886 4.858 ( -0.000 1.222 -2.316) 2.619 5.196 ( -0.000 5.315 -9.159) 10.590 5.703 ( -0.000 3.560 1.914) 4.042 7.209 ( 0.000 -6.161 5.097) 7.996 7.232 ( 0.000 -5.805 -3.271) 6.663 7.768 ( -0.000 4.330 1.769) 4.678 8.121 ( 0.000 -1.294 -14.737) 14.794 8.641 ( -0.000 3.205 10.726) 11.194 8.843 ( 0.000 -7.433 4.009) 8.445 9.188 ( -0.000 1.747 1.449) 2.270 9.606 ( 0.000 -3.247 2.077) 3.854 10.042 ( 0.000 -10.495 23.884) 26.088 10.165 ( 0.000 -0.708 25.023) 25.033 10.969 ( 0.000 -12.168 8.178) 14.661 11.049 ( 0.000 -4.682 11.045) 11.996 11.696 ( 0.000 -1.752 15.742) 15.839 11.918 ( 0.000 -10.914 13.368) 17.257 12.501 ( -0.000 16.425 7.355) 17.996 12.855 ( 0.000 -29.494 3.617) 29.715 12.958 ( -0.000 8.109 3.152) 8.700 13.602 ( 0.000 -12.676 3.210) 13.076 13.864 ( -0.000 15.845 -6.058) 16.963 14.771 ( -0.000 9.982 -1.889) 10.159 16.059 ( -0.000 0.787 -16.588) 16.607 16.209 ( -0.000 4.442 -14.285) 14.960 20.813 ( 0.000 -1.422 -5.049) 5.245 20.855 ( 0.000 -2.409 -3.586) 4.320 21.980 ( 0.000 -0.100 1.576) 1.579 22.569 ( -0.000 11.552 -8.604) 14.404 22.929 ( -0.000 0.616 13.739) 13.753 23.910 ( 0.000 -0.539 -4.728) 4.759 ======================= Grid point 260 (90/155) ======================= q-point: ( 0.40 0.40 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 4.424 -0.000 11.902) 12.698 1.310 ( 7.869 -0.000 14.857) 16.812 1.591 ( 3.762 -0.000 -8.765) 9.538 1.935 ( 0.217 -0.000 -7.658) 7.661 2.518 ( 4.789 -0.000 4.673) 6.691 2.558 ( 3.036 -0.000 14.866) 15.173 2.694 ( -1.076 0.000 -5.925) 6.022 2.789 ( -8.261 0.000 7.660) 11.266 2.990 ( -1.685 0.000 -2.293) 2.846 3.011 ( 9.544 -0.000 1.253) 9.626 3.187 ( -4.636 0.000 10.751) 11.708 3.282 ( -7.234 0.000 -1.986) 7.502 3.410 ( -1.232 0.000 1.933) 2.292 3.730 ( -2.090 0.000 2.788) 3.484 4.511 ( 0.645 -0.000 -12.089) 12.106 4.640 ( 0.437 -0.000 -8.916) 8.927 4.904 ( 2.290 -0.000 -2.726) 3.560 5.003 ( 1.700 -0.000 -7.788) 7.971 5.064 ( 4.856 -0.000 -2.954) 5.684 5.916 ( -0.985 0.000 -11.618) 11.659 7.024 ( -2.759 0.000 7.210) 7.720 7.294 ( -1.300 0.000 1.314) 1.848 7.758 ( 2.030 -0.000 3.171) 3.766 7.852 ( 0.674 -0.000 2.851) 2.929 8.058 ( 0.683 -0.000 24.458) 24.467 8.571 ( -1.455 0.000 -3.097) 3.422 9.179 ( 7.193 -0.000 -1.019) 7.265 9.465 ( 1.317 -0.000 26.941) 26.973 9.586 ( -11.375 0.000 1.130) 11.431 9.602 ( 9.237 -0.000 9.718) 13.407 9.911 ( -11.806 0.000 -0.477) 11.815 10.836 ( 2.006 -0.000 14.992) 15.125 11.134 ( 1.801 -0.000 12.250) 12.382 11.544 ( -4.863 0.000 14.159) 14.971 12.573 ( 0.005 -0.000 -7.073) 7.073 12.749 ( -5.144 0.000 51.810) 52.064 12.905 ( -1.596 0.000 -4.060) 4.363 13.690 ( -3.953 0.000 7.604) 8.571 13.865 ( 0.719 -0.000 -13.369) 13.388 16.045 ( 4.479 -0.000 -26.184) 26.564 16.049 ( -1.922 0.000 -13.111) 13.251 16.398 ( 2.656 -0.000 -5.266) 5.897 20.469 ( -0.697 0.000 2.113) 2.226 20.918 ( -2.919 0.000 -3.856) 4.836 22.000 ( 0.034 -0.000 1.370) 1.370 22.983 ( 1.071 -0.000 14.529) 14.568 23.446 ( 5.207 -0.000 -28.070) 28.549 23.793 ( 0.162 -0.000 -1.873) 1.880 ======================= Grid point 261 (91/155) ======================= q-point: ( 0.50 0.40 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 1.922 3.773 13.230) 13.891 1.409 ( 3.768 -4.673 12.339) 13.722 1.598 ( 1.559 1.226 -9.063) 9.277 1.954 ( 0.128 -2.135 -8.851) 9.106 2.393 ( 2.789 11.751 11.115) 16.414 2.521 ( -2.607 5.016 0.438) 5.670 2.707 ( -0.176 -1.995 -5.159) 5.534 2.803 ( 0.037 -2.884 12.622) 12.948 2.979 ( 2.931 4.688 3.713) 6.660 3.027 ( -5.149 -1.171 -0.115) 5.282 3.203 ( 3.947 -3.616 0.126) 5.355 3.273 ( -6.380 -2.611 -3.424) 7.697 3.542 ( 2.396 -12.803 9.349) 16.033 3.761 ( -1.677 -4.184 4.834) 6.610 4.462 ( 0.587 5.263 -9.716) 11.065 4.649 ( 0.108 -0.541 -8.584) 8.602 4.897 ( 1.655 5.832 -3.469) 6.985 4.915 ( -0.206 1.223 -2.192) 2.518 5.196 ( 2.799 -5.662 -7.390) 9.721 5.902 ( -0.797 1.153 -9.857) 9.956 7.005 ( -1.373 0.146 6.031) 6.187 7.216 ( -1.418 6.175 4.228) 7.617 7.779 ( 0.827 -5.092 6.788) 8.526 7.882 ( 2.039 -3.469 3.105) 5.083 8.124 ( -0.980 -4.210 15.231) 15.833 8.821 ( -0.113 -21.636 1.561) 21.692 9.102 ( 2.676 9.576 7.071) 12.201 9.504 ( 0.878 -1.988 12.244) 12.435 9.527 ( -2.600 -0.077 1.641) 3.076 9.779 ( 7.531 -11.306 11.656) 17.899 9.913 ( -11.382 -9.865 -0.985) 15.094 10.848 ( 0.959 -0.407 15.157) 15.193 11.235 ( 1.520 -9.607 11.687) 15.205 11.540 ( -2.870 -2.171 14.344) 14.789 12.395 ( -0.200 10.976 15.962) 19.372 12.891 ( 0.226 -1.151 0.368) 1.229 12.927 ( -2.873 -11.749 23.607) 26.525 13.581 ( -2.113 8.582 4.030) 9.713 13.918 ( 0.058 -4.261 -10.889) 11.693 15.875 ( 2.109 18.564 -19.513) 27.015 16.048 ( -0.942 -0.902 -13.749) 13.811 16.420 ( 1.457 0.341 -7.707) 7.851 20.519 ( -0.411 -5.344 0.291) 5.367 20.897 ( -1.369 0.746 -4.027) 4.318 21.997 ( -0.015 0.365 1.385) 1.433 22.981 ( 0.600 0.765 15.000) 15.031 23.368 ( 2.530 10.712 -26.009) 28.242 23.815 ( 0.004 -2.144 -2.350) 3.181 ======================= Grid point 262 (92/155) ======================= q-point: ( 0.60 0.40 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.000 -0.756 11.006) 11.032 1.524 ( 0.000 -6.522 11.070) 12.849 1.557 ( -0.000 3.536 -3.366) 4.882 2.022 ( 0.000 -5.286 -11.311) 12.485 2.220 ( -0.000 6.566 5.199) 8.376 2.416 ( -0.000 5.607 -0.064) 5.607 2.724 ( -0.000 0.128 -5.063) 5.065 2.814 ( -0.000 2.689 10.874) 11.202 2.900 ( -0.000 2.789 3.389) 4.389 3.045 ( 0.000 -2.013 0.702) 2.132 3.278 ( 0.000 -0.809 -1.828) 1.999 3.290 ( 0.000 -2.464 -6.264) 6.731 3.818 ( 0.000 -14.499 14.155) 20.263 3.824 ( 0.000 -2.677 7.487) 7.951 4.351 ( -0.000 6.357 -4.010) 7.516 4.647 ( -0.000 1.149 -6.118) 6.225 4.787 ( -0.000 5.989 -1.754) 6.240 4.907 ( -0.000 0.646 -1.161) 1.329 5.265 ( 0.000 -1.183 -8.578) 8.660 5.858 ( -0.000 3.426 -4.835) 5.926 7.026 ( 0.000 -3.239 2.187) 3.909 7.125 ( -0.000 2.372 6.677) 7.086 7.872 ( 0.000 -1.049 2.366) 2.588 7.966 ( 0.000 -4.925 -0.776) 4.986 8.302 ( 0.000 -17.202 13.974) 22.163 8.924 ( -0.000 10.026 8.432) 13.100 9.127 ( 0.000 -9.708 4.787) 10.824 9.521 ( 0.000 -0.004 5.602) 5.602 9.576 ( 0.000 -7.267 4.678) 8.643 9.996 ( 0.000 -9.048 20.784) 22.668 10.227 ( 0.000 -26.017 -8.892) 27.495 10.873 ( 0.000 -2.409 15.687) 15.871 11.476 ( 0.000 -14.956 10.617) 18.341 11.582 ( 0.000 -3.454 14.928) 15.323 12.266 ( -0.000 1.561 17.831) 17.899 12.863 ( -0.000 3.332 -2.732) 4.309 13.153 ( 0.000 -12.475 18.272) 22.125 13.374 ( -0.000 12.747 3.775) 13.295 13.995 ( 0.000 -3.654 -9.869) 10.524 15.478 ( -0.000 24.136 -10.208) 26.205 16.063 ( 0.000 -0.817 -14.812) 14.835 16.387 ( -0.000 3.703 -9.650) 10.336 20.631 ( 0.000 -6.524 -2.436) 6.964 20.874 ( -0.000 1.217 -4.120) 4.296 21.989 ( -0.000 0.483 1.459) 1.537 22.966 ( -0.000 1.088 14.860) 14.900 23.121 ( -0.000 16.280 -20.350) 26.060 23.859 ( 0.000 -2.361 -3.343) 4.092 ======================= Grid point 273 (93/155) ======================= q-point: (-0.50 -0.50 0.22) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.000 -0.000 11.626) 11.626 1.366 ( 0.000 -0.000 16.263) 16.263 1.611 ( -0.000 0.000 -12.204) 12.204 1.936 ( 0.000 -0.000 -7.875) 7.875 2.562 ( -0.000 0.000 0.650) 0.650 2.589 ( -0.000 0.000 15.648) 15.648 2.680 ( -0.000 0.000 -8.577) 8.577 2.722 ( 0.000 -0.000 10.723) 10.723 2.978 ( -0.000 0.000 -3.662) 3.662 3.105 ( 0.000 -0.000 3.208) 3.208 3.155 ( 0.000 -0.000 12.703) 12.703 3.199 ( -0.000 0.000 -1.013) 1.013 3.407 ( 0.000 -0.000 -0.004) 0.004 3.716 ( -0.000 0.000 3.709) 3.709 4.515 ( 0.000 -0.000 -12.994) 12.994 4.641 ( -0.000 0.000 -8.817) 8.817 4.918 ( 0.000 -0.000 -2.905) 2.905 5.017 ( -0.000 0.000 -7.756) 7.756 5.096 ( -0.000 0.000 -2.341) 2.341 5.909 ( -0.000 0.000 -12.296) 12.296 7.007 ( -0.000 0.000 7.594) 7.594 7.285 ( 0.000 -0.000 0.797) 0.797 7.772 ( 0.000 -0.000 2.881) 2.881 7.855 ( 0.000 -0.000 4.092) 4.092 8.060 ( 0.000 -0.000 27.213) 27.213 8.563 ( 0.000 -0.000 -2.718) 2.718 9.239 ( 0.000 -0.000 -1.900) 1.900 9.468 ( -0.000 0.000 32.631) 32.631 9.498 ( -0.000 0.000 1.576) 1.576 9.743 ( -0.000 0.000 -7.262) 7.262 9.759 ( 0.000 -0.000 9.274) 9.274 10.849 ( 0.000 -0.000 14.669) 14.669 11.147 ( 0.000 -0.000 12.383) 12.383 11.511 ( -0.000 0.000 14.077) 14.077 12.574 ( 0.000 -0.000 -7.171) 7.171 12.717 ( 0.000 -0.000 53.936) 53.936 12.895 ( 0.000 -0.000 -3.957) 3.957 13.665 ( -0.000 0.000 5.354) 5.354 13.869 ( -0.000 0.000 -13.323) 13.323 16.036 ( 0.000 -0.000 -13.451) 13.451 16.073 ( -0.000 0.000 -26.159) 26.159 16.416 ( 0.000 -0.000 -5.071) 5.071 20.464 ( -0.000 0.000 2.105) 2.105 20.900 ( 0.000 -0.000 -4.001) 4.001 22.001 ( 0.000 -0.000 1.348) 1.348 22.989 ( 0.000 -0.000 15.424) 15.424 23.479 ( 0.000 -0.000 -28.777) 28.777 23.794 ( 0.000 -0.000 -1.859) 1.859 ======================= Grid point 321 (94/155) ======================= q-point: ( 0.00 0.00 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 0.000 0.000 0.728) 0.728 1.337 ( 0.000 0.000 17.701) 17.701 1.667 ( 0.000 0.000 -17.584) 17.584 1.903 ( 0.000 0.000 7.434) 7.434 2.562 ( 0.000 0.000 4.308) 4.308 2.568 ( 0.000 0.000 -1.687) 1.687 2.668 ( 0.000 0.000 0.154) 0.154 2.704 ( 0.000 0.000 8.873) 8.873 3.218 ( 0.000 0.000 1.267) 1.267 3.231 ( 0.000 0.000 5.690) 5.690 3.408 ( 0.000 0.000 3.578) 3.578 3.637 ( 0.000 0.000 14.413) 14.413 3.674 ( 0.000 0.000 7.144) 7.144 3.884 ( 0.000 0.000 4.567) 4.567 4.328 ( 0.000 0.000 -6.086) 6.086 4.387 ( 0.000 0.000 -6.932) 6.932 4.476 ( 0.000 0.000 -12.732) 12.732 4.569 ( 0.000 0.000 -9.038) 9.038 5.029 ( 0.000 0.000 4.549) 4.549 5.811 ( 0.000 0.000 -9.770) 9.770 7.507 ( 0.000 0.000 -1.541) 1.541 7.515 ( 0.000 0.000 8.993) 8.993 7.547 ( 0.000 0.000 -4.796) 4.796 7.665 ( 0.000 0.000 4.569) 4.569 7.783 ( 0.000 0.000 -0.880) 0.880 8.497 ( 0.000 0.000 -15.837) 15.837 9.042 ( 0.000 0.000 7.720) 7.720 9.347 ( 0.000 0.000 -1.297) 1.297 10.053 ( 0.000 0.000 -1.030) 1.030 10.190 ( 0.000 0.000 -1.740) 1.740 10.574 ( 0.000 0.000 46.374) 46.374 11.191 ( 0.000 0.000 27.440) 27.440 11.371 ( 0.000 0.000 16.847) 16.847 12.138 ( 0.000 0.000 16.496) 16.496 12.391 ( 0.000 0.000 -11.569) 11.569 12.895 ( 0.000 0.000 -7.026) 7.026 13.206 ( 0.000 0.000 -7.970) 7.970 13.452 ( 0.000 0.000 -20.812) 20.812 14.977 ( 0.000 0.000 14.254) 14.254 15.186 ( 0.000 0.000 6.774) 6.774 15.938 ( 0.000 0.000 -13.416) 13.416 16.007 ( 0.000 0.000 -12.055) 12.055 20.581 ( 0.000 0.000 4.246) 4.246 21.127 ( 0.000 0.000 -13.625) 13.625 22.040 ( 0.000 0.000 2.659) 2.659 22.331 ( 0.000 0.000 -6.332) 6.332 23.330 ( 0.000 0.000 10.092) 10.092 23.727 ( 0.000 0.000 -3.347) 3.347 ======================= Grid point 322 (95/155) ======================= q-point: ( 0.10 0.00 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 7.725 -9.031 1.491) 11.977 1.352 ( 0.956 -0.665 16.939) 16.979 1.695 ( 0.931 -2.442 -16.075) 16.286 1.926 ( -2.051 -4.113 6.660) 8.092 2.452 ( 0.605 6.740 2.149) 7.100 2.611 ( -2.086 1.130 2.025) 3.119 2.650 ( 2.683 -0.711 0.370) 2.800 2.763 ( 0.482 -2.067 2.804) 3.517 3.071 ( -1.222 6.883 6.159) 9.317 3.278 ( -2.380 7.954 3.397) 8.971 3.332 ( -0.226 -1.893 -0.547) 1.983 3.640 ( -4.874 0.913 12.032) 13.014 3.691 ( 2.259 -1.048 8.935) 9.276 3.924 ( 0.072 -4.830 7.235) 8.699 4.298 ( -3.482 1.296 -8.457) 9.237 4.412 ( 4.955 -1.874 -8.103) 9.681 4.548 ( -0.106 -4.898 -9.223) 10.444 4.607 ( 4.220 -2.931 -7.591) 9.166 5.043 ( -0.749 -1.489 6.025) 6.252 5.837 ( -1.176 -2.273 -9.633) 9.967 7.425 ( -6.467 7.500 5.306) 11.235 7.497 ( 3.210 4.288 1.506) 5.564 7.557 ( -5.537 -4.088 -0.847) 6.935 7.715 ( 11.897 -11.113 4.283) 16.834 7.963 ( 1.331 -8.874 -3.606) 9.670 8.635 ( 0.105 -15.011 -16.659) 22.424 9.001 ( 0.733 4.084 7.742) 8.783 9.334 ( 0.035 1.533 -2.372) 2.824 10.040 ( -2.644 -1.091 1.372) 3.173 10.250 ( -2.913 -6.831 -2.555) 7.853 10.611 ( 0.378 -3.752 45.457) 45.613 11.218 ( 0.335 -2.711 26.557) 26.697 11.426 ( 0.390 -5.715 16.388) 17.360 12.143 ( -2.244 -1.582 15.179) 15.426 12.394 ( -0.148 -0.313 -7.033) 7.042 12.914 ( -1.171 -2.444 -5.789) 6.392 13.161 ( 1.735 4.777 -6.890) 8.561 13.501 ( 0.358 -4.407 -19.304) 19.804 14.859 ( -14.977 5.834 15.605) 22.403 15.167 ( 11.270 7.402 5.579) 14.592 15.910 ( -2.524 2.030 -14.498) 14.855 15.993 ( 2.782 2.638 -12.752) 13.316 20.596 ( -0.418 -1.740 2.882) 3.392 21.084 ( -3.975 3.017 -12.391) 13.358 22.041 ( 0.130 0.043 2.671) 2.675 22.340 ( 5.886 1.375 -6.850) 9.135 23.312 ( -0.107 1.718 10.722) 10.859 23.746 ( 0.040 -1.733 -3.909) 4.276 ======================= Grid point 323 (96/155) ======================= q-point: ( 0.20 0.00 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 8.435 -10.147 3.838) 13.742 1.378 ( 2.387 -1.722 15.447) 15.725 1.760 ( 0.539 -4.182 -13.370) 14.019 2.016 ( -4.043 -6.553 2.518) 8.101 2.328 ( 0.592 7.386 1.860) 7.639 2.553 ( -3.969 3.346 1.623) 5.439 2.641 ( 1.154 3.401 -4.031) 5.399 2.745 ( -1.948 3.004 -0.541) 3.621 2.996 ( 0.415 1.276 5.776) 5.930 3.149 ( 5.355 6.290 3.029) 8.799 3.320 ( -2.093 2.054 -4.025) 4.979 3.544 ( -8.386 4.075 8.953) 12.926 3.731 ( 4.087 -1.153 9.128) 10.067 4.052 ( -0.089 -8.358 10.367) 13.317 4.268 ( -3.483 -0.970 -7.572) 8.391 4.496 ( 8.057 -2.207 -6.110) 10.350 4.613 ( -1.569 -3.523 -3.802) 5.416 4.708 ( 5.955 -3.039 -7.837) 10.302 5.053 ( -1.217 0.158 8.132) 8.224 5.844 ( -1.888 0.884 -7.954) 8.223 7.256 ( -3.934 5.617 7.277) 9.999 7.470 ( 2.810 1.811 1.509) 3.667 7.605 ( -4.284 -4.152 -3.245) 6.792 7.935 ( 3.861 -0.754 -5.274) 6.579 8.205 ( 5.989 -20.371 4.048) 21.615 8.923 ( 0.395 1.494 4.396) 4.660 8.976 ( 2.732 -15.462 -11.522) 19.475 9.293 ( 0.357 2.918 -4.253) 5.170 10.106 ( -4.292 -9.157 5.843) 11.680 10.407 ( -4.425 -13.989 -3.367) 15.054 10.705 ( 0.798 -5.863 43.130) 43.534 11.280 ( -0.116 -3.652 23.811) 24.090 11.577 ( 1.439 -9.954 15.724) 18.665 12.174 ( -3.959 -4.087 13.774) 14.904 12.408 ( -0.090 -1.873 1.621) 2.478 12.953 ( -3.520 -2.513 -3.942) 5.852 13.078 ( 4.351 5.849 -2.133) 7.596 13.589 ( 0.219 -4.440 -16.739) 17.319 14.628 ( -16.741 7.473 15.072) 23.733 15.043 ( 10.584 13.604 5.189) 18.000 15.841 ( -2.985 3.301 -17.354) 17.916 15.941 ( 3.826 5.475 -14.710) 16.155 20.634 ( -0.444 -2.583 0.309) 2.639 20.988 ( -4.961 3.835 -9.733) 11.578 22.040 ( 0.116 0.178 2.687) 2.695 22.346 ( 7.546 2.891 -7.300) 10.890 23.276 ( -0.065 2.049 11.746) 11.923 23.777 ( -0.051 -1.506 -4.961) 5.184 ======================= Grid point 324 (97/155) ======================= q-point: ( 0.30 0.00 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 7.435 -9.118 7.123) 13.754 1.452 ( 1.952 -4.443 10.817) 11.856 1.855 ( 0.823 -5.821 -11.482) 12.900 2.066 ( -5.268 -1.150 0.913) 5.469 2.198 ( -0.217 6.410 1.778) 6.656 2.455 ( -4.416 3.521 -2.198) 6.060 2.560 ( -0.243 5.314 -6.007) 8.023 2.667 ( -0.913 3.830 -4.622) 6.072 2.958 ( -0.521 4.032 2.263) 4.653 3.121 ( 5.765 1.818 2.532) 6.554 3.256 ( -2.303 2.735 -2.487) 4.355 3.412 ( -6.348 4.640 4.613) 9.116 3.783 ( 5.744 -1.021 7.956) 9.866 4.201 ( -2.173 -8.605 8.235) 12.107 4.300 ( 0.614 -3.335 -2.835) 4.419 4.572 ( 5.753 -0.724 -0.778) 5.850 4.662 ( 0.016 -1.490 -0.683) 1.639 4.772 ( 4.864 -0.731 -6.765) 8.364 5.024 ( -0.490 1.813 9.475) 9.660 5.786 ( -1.525 3.697 -4.961) 6.372 7.186 ( -2.681 -0.123 3.642) 4.524 7.466 ( -0.422 -0.619 3.137) 3.225 7.639 ( -1.517 -1.335 -2.843) 3.488 7.889 ( 1.434 5.498 -11.962) 13.243 8.601 ( 4.938 -14.970 7.055) 17.270 8.894 ( 0.677 -0.078 4.554) 4.605 9.210 ( 0.051 -1.264 -6.730) 6.848 9.280 ( 3.105 -6.657 -7.939) 10.816 10.309 ( -4.467 -15.725 12.529) 20.596 10.712 ( -1.959 -20.273 -0.605) 20.377 10.819 ( 0.676 -5.809 38.640) 39.080 11.337 ( -0.951 -2.669 19.280) 19.487 11.787 ( 2.878 -10.987 16.091) 19.696 12.240 ( -5.049 -6.193 15.191) 17.164 12.485 ( 0.468 -6.877 4.677) 8.330 12.909 ( 0.082 5.759 2.297) 6.201 13.050 ( 0.025 -1.197 0.669) 1.371 13.646 ( 0.344 -0.998 -13.849) 13.889 14.389 ( -15.049 7.686 12.599) 21.077 14.833 ( 8.173 15.031 5.081) 17.847 15.761 ( -2.626 3.246 -20.918) 21.330 15.848 ( 3.968 7.211 -17.533) 19.369 20.680 ( 0.026 -2.477 -1.537) 2.915 20.896 ( -4.055 2.882 -7.062) 8.639 22.036 ( -0.001 0.263 2.663) 2.676 22.330 ( 5.935 3.427 -6.829) 9.675 23.240 ( 0.005 1.757 12.354) 12.478 23.795 ( -0.122 -0.533 -5.828) 5.854 ======================= Grid point 325 (98/155) ======================= q-point: ( 0.40 0.00 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 6.439 -7.656 8.534) 13.150 1.536 ( -0.536 -3.366 5.956) 6.862 1.965 ( -1.361 -1.584 -3.374) 3.968 1.999 ( -1.499 0.607 -2.339) 2.844 2.124 ( 0.756 1.002 -0.094) 1.259 2.375 ( -2.916 3.970 -8.783) 10.070 2.469 ( -0.853 3.462 -5.224) 6.324 2.601 ( -0.288 2.911 -7.158) 7.733 2.882 ( -1.023 2.537 0.212) 2.744 3.084 ( -1.898 3.651 -0.879) 4.207 3.225 ( 1.898 0.282 2.088) 2.836 3.310 ( -2.746 3.264 1.469) 4.512 3.837 ( 5.165 -0.792 7.793) 9.383 4.340 ( -3.682 -8.142 0.695) 8.962 4.365 ( 2.064 -2.513 2.922) 4.372 4.600 ( 3.323 0.720 3.524) 4.897 4.628 ( 0.892 4.433 -0.115) 4.523 4.814 ( 2.065 -0.641 0.182) 2.170 5.007 ( 0.774 -0.248 7.608) 7.652 5.713 ( -0.561 3.007 -2.737) 4.104 7.207 ( -1.420 -2.811 -0.510) 3.190 7.485 ( -2.228 -2.069 3.713) 4.799 7.634 ( 0.419 1.143 -0.941) 1.538 7.793 ( 1.004 5.142 -14.826) 15.725 8.775 ( 1.031 -3.879 7.933) 8.891 8.938 ( 1.044 -3.063 1.543) 3.585 9.166 ( 0.504 3.158 -4.315) 5.371 9.428 ( 1.163 -5.040 -9.670) 10.967 10.592 ( -2.121 -16.149 21.009) 26.584 10.878 ( -0.083 -1.145 35.759) 35.778 11.064 ( 1.345 -15.511 3.550) 15.969 11.353 ( -1.701 0.369 13.731) 13.841 11.979 ( 2.623 -7.114 17.373) 18.955 12.334 ( -3.939 -7.660 17.117) 19.162 12.611 ( -0.442 -2.242 5.117) 5.604 12.820 ( 4.365 2.852 7.569) 9.191 13.122 ( -4.267 -10.120 -0.204) 10.985 13.606 ( 1.784 6.955 -10.789) 12.960 14.151 ( -9.732 9.103 12.755) 18.447 14.652 ( 4.109 8.108 2.934) 9.552 15.700 ( -2.481 1.387 -23.346) 23.518 15.747 ( 3.588 6.048 -20.857) 22.010 20.722 ( 0.685 -1.820 -2.410) 3.097 20.833 ( -2.683 1.697 -5.082) 5.992 22.031 ( -0.055 0.164 2.579) 2.585 22.304 ( 3.090 2.340 -5.973) 7.121 23.214 ( 0.020 1.065 12.588) 12.633 23.798 ( -0.094 0.017 -6.337) 6.338 ======================= Grid point 326 (99/155) ======================= q-point: (-0.50 0.00 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -0.000 -0.000 7.499) 7.499 1.544 ( 0.000 -0.000 4.622) 4.622 1.918 ( 0.000 -0.000 4.234) 4.234 2.012 ( -0.000 -0.000 -1.052) 1.052 2.200 ( 0.000 -0.000 -6.341) 6.341 2.265 ( -0.000 0.000 -12.498) 12.498 2.438 ( 0.000 -0.000 -4.129) 4.129 2.570 ( 0.000 -0.000 -7.830) 7.830 2.861 ( -0.000 -0.000 -0.685) 0.685 3.030 ( 0.000 0.000 -1.430) 1.430 3.251 ( -0.000 0.000 0.919) 0.919 3.253 ( 0.000 -0.000 2.414) 2.414 3.864 ( 0.000 -0.000 8.206) 8.206 4.376 ( 0.000 -0.000 -0.531) 0.531 4.452 ( 0.000 0.000 1.339) 1.339 4.544 ( -0.000 -0.000 -0.483) 0.483 4.617 ( -0.000 -0.000 7.185) 7.185 4.820 ( 0.000 -0.000 4.239) 4.239 5.021 ( 0.000 -0.000 5.380) 5.380 5.682 ( 0.000 -0.000 -2.000) 2.000 7.236 ( 0.000 -0.000 -2.292) 2.292 7.499 ( -0.000 -0.000 2.999) 2.999 7.622 ( 0.000 -0.000 1.685) 1.685 7.743 ( 0.000 0.000 -16.516) 16.516 8.810 ( 0.000 -0.000 8.367) 8.367 8.976 ( 0.000 -0.000 -0.073) 0.073 9.132 ( 0.000 -0.000 -3.273) 3.273 9.474 ( 0.000 -0.000 -10.370) 10.370 10.788 ( -0.000 -0.000 29.457) 29.457 10.845 ( -0.000 0.000 29.083) 29.083 11.264 ( 0.000 -0.000 8.607) 8.607 11.295 ( -0.000 0.000 8.749) 8.749 12.053 ( 0.000 -0.000 18.089) 18.089 12.436 ( 0.000 -0.000 12.243) 12.243 12.559 ( -0.000 -0.000 19.677) 19.677 12.833 ( 0.000 -0.000 0.569) 0.569 13.350 ( 0.000 0.000 -8.086) 8.086 13.419 ( -0.000 -0.000 -1.823) 1.823 14.017 ( -0.000 -0.000 13.118) 13.118 14.595 ( 0.000 -0.000 1.349) 1.349 15.687 ( 0.000 0.000 -20.777) 20.777 15.692 ( -0.000 -0.000 -25.823) 25.823 20.746 ( 0.000 -0.000 -2.743) 2.743 20.805 ( -0.000 0.000 -4.244) 4.244 22.030 ( 0.000 -0.000 2.521) 2.521 22.292 ( 0.000 -0.000 -5.561) 5.561 23.204 ( 0.000 -0.000 12.644) 12.644 23.797 ( 0.000 -0.000 -6.500) 6.500 ======================= Grid point 333 (100/155) ======================= q-point: ( 0.10 0.10 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 16.693 -0.000 0.106) 16.693 1.347 ( 1.607 -0.000 15.919) 16.000 1.687 ( 2.796 -0.000 -15.348) 15.601 1.874 ( -4.213 0.000 9.000) 9.937 2.544 ( -1.774 0.000 -0.026) 1.775 2.585 ( 2.178 -0.000 -1.353) 2.564 2.706 ( 4.818 -0.000 3.397) 5.896 2.710 ( 1.349 -0.000 7.837) 7.952 3.180 ( -5.448 0.000 1.145) 5.567 3.224 ( -1.218 0.000 6.793) 6.901 3.342 ( -8.624 0.000 0.944) 8.676 3.618 ( -3.289 0.000 12.853) 13.267 3.685 ( 0.708 -0.000 8.137) 8.167 3.880 ( -0.810 0.000 5.308) 5.369 4.335 ( 0.632 -0.000 -6.158) 6.191 4.363 ( -1.231 0.000 -9.929) 10.005 4.538 ( 7.367 -0.000 -10.165) 12.553 4.602 ( 5.392 -0.000 -9.269) 10.723 5.020 ( -1.199 0.000 5.105) 5.244 5.796 ( -2.268 0.000 -10.030) 10.283 7.374 ( -9.988 0.000 2.246) 10.237 7.545 ( -2.014 0.000 10.588) 10.778 7.581 ( 5.093 -0.000 -4.268) 6.645 7.790 ( 1.193 -0.000 -0.277) 1.225 7.798 ( 16.651 -0.000 0.313) 16.654 8.486 ( -1.550 0.000 -15.203) 15.282 9.050 ( 1.339 -0.000 6.963) 7.091 9.348 ( 0.168 -0.000 -1.451) 1.461 10.016 ( -5.811 0.000 -0.657) 5.848 10.155 ( -5.349 0.000 -1.265) 5.496 10.577 ( 0.373 -0.000 45.910) 45.911 11.197 ( 0.994 -0.000 26.780) 26.798 11.375 ( 0.561 -0.000 16.797) 16.806 12.108 ( -4.493 0.000 16.005) 16.624 12.390 ( -0.168 0.000 -11.539) 11.540 12.883 ( -1.692 0.000 -6.980) 7.182 13.224 ( 2.840 -0.000 -5.751) 6.415 13.460 ( 1.081 -0.000 -20.626) 20.654 14.794 ( -20.683 0.000 20.470) 29.100 15.320 ( 13.282 -0.000 1.028) 13.322 15.906 ( -4.131 0.000 -14.158) 14.749 16.041 ( 4.367 -0.000 -11.730) 12.517 20.575 ( -0.910 0.000 4.154) 4.252 21.073 ( -7.439 0.000 -11.289) 13.520 22.042 ( 0.286 -0.000 2.852) 2.866 22.412 ( 11.405 -0.000 -9.641) 14.934 23.328 ( -0.352 0.000 9.997) 10.003 23.728 ( 0.172 -0.000 -3.370) 3.375 ======================= Grid point 334 (101/155) ======================= q-point: ( 0.20 0.10 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 16.835 -5.559 0.743) 17.745 1.377 ( 2.967 -1.104 15.041) 15.371 1.715 ( 1.821 -1.287 -12.486) 12.684 1.879 ( -4.760 -4.248 8.173) 10.368 2.463 ( 0.726 6.182 0.081) 6.225 2.592 ( -1.006 2.418 1.807) 3.182 2.686 ( 2.981 0.872 -0.222) 3.113 2.773 ( 1.180 0.234 2.844) 3.088 3.041 ( -3.319 4.659 6.024) 8.308 3.246 ( -2.302 2.575 -0.765) 3.537 3.304 ( -4.010 -2.777 0.819) 4.946 3.556 ( -8.136 3.366 9.725) 13.119 3.709 ( 0.512 -2.406 9.567) 9.879 3.926 ( 0.217 -5.448 8.010) 9.689 4.272 ( -0.111 2.762 -7.699) 8.180 4.452 ( 0.506 -5.530 -8.010) 9.747 4.583 ( 5.495 -0.272 -8.854) 10.424 4.693 ( 8.983 -3.830 -8.694) 13.074 5.026 ( -1.667 -1.370 6.852) 7.184 5.808 ( -3.148 -2.348 -10.014) 10.757 7.333 ( -7.351 2.579 5.644) 9.620 7.451 ( -5.103 1.117 3.558) 6.320 7.604 ( 7.228 2.829 -0.281) 7.767 7.855 ( 7.470 -9.159 5.618) 13.086 8.019 ( 8.789 -6.704 -4.213) 11.830 8.644 ( 1.672 -17.126 -15.199) 22.959 9.018 ( 1.755 4.128 6.483) 7.883 9.336 ( 0.242 1.560 -2.558) 3.006 9.975 ( -7.445 -1.710 1.827) 7.854 10.179 ( -7.897 -6.890 -1.853) 10.642 10.618 ( 0.559 -3.971 44.487) 44.667 11.226 ( 0.840 -2.259 25.533) 25.646 11.436 ( 1.267 -6.048 16.266) 17.400 12.090 ( -5.816 -1.848 14.931) 16.130 12.391 ( -0.304 -0.271 -7.463) 7.474 12.888 ( -2.715 -1.848 -6.080) 6.910 13.204 ( 4.770 4.244 -3.782) 7.421 13.510 ( 1.017 -4.023 -18.306) 18.770 14.616 ( -21.088 4.215 22.138) 30.864 15.320 ( 11.260 8.571 -0.248) 14.153 15.862 ( -4.598 1.599 -15.735) 16.470 16.046 ( 5.134 2.811 -12.374) 13.688 20.586 ( -1.054 -1.909 2.774) 3.529 21.002 ( -7.765 2.086 -9.206) 12.223 22.043 ( 0.291 0.114 3.002) 3.018 22.467 ( 12.583 2.811 -11.580) 17.330 23.309 ( -0.425 1.591 10.584) 10.711 23.747 ( 0.102 -1.629 -3.927) 4.253 ======================= Grid point 335 (102/155) ======================= q-point: ( 0.30 0.10 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 13.099 -6.672 3.383) 15.084 1.419 ( 3.687 -1.441 14.153) 14.696 1.769 ( 0.722 -3.933 -10.437) 11.177 1.947 ( -6.261 -6.090 4.884) 10.007 2.335 ( 0.363 8.133 2.537) 8.527 2.502 ( -3.775 4.983 0.682) 6.289 2.650 ( -0.489 3.945 -6.008) 7.203 2.733 ( 0.950 3.852 -0.702) 4.029 3.001 ( 0.264 0.532 4.680) 4.717 3.205 ( 2.066 2.248 -0.601) 3.112 3.281 ( -4.065 2.325 -3.038) 5.582 3.431 ( -8.555 3.262 6.096) 10.999 3.779 ( 3.889 -3.451 10.029) 11.297 4.054 ( 0.953 -7.061 9.789) 12.107 4.259 ( 1.254 -1.456 -4.902) 5.265 4.558 ( 0.358 -5.537 -3.994) 6.836 4.617 ( 3.449 -0.398 -5.486) 6.492 4.808 ( 9.134 -1.502 -9.036) 12.936 5.034 ( -1.609 -0.276 8.613) 8.767 5.810 ( -3.261 0.264 -8.311) 8.931 7.206 ( -3.578 4.542 7.657) 9.595 7.435 ( -6.909 -1.313 2.042) 7.323 7.625 ( 6.109 -0.287 -2.173) 6.490 7.966 ( 0.860 1.242 -5.466) 5.671 8.315 ( 10.634 -19.085 5.982) 22.652 8.934 ( 1.132 2.371 3.347) 4.255 9.026 ( 5.154 -15.188 -9.655) 18.721 9.300 ( 0.830 2.337 -4.260) 4.930 10.028 ( -7.832 -10.037 6.451) 14.272 10.329 ( -7.551 -16.485 -3.387) 18.446 10.715 ( 0.659 -5.893 41.712) 42.131 11.279 ( -0.150 -2.982 22.913) 23.107 11.604 ( 2.873 -10.656 15.464) 18.998 12.106 ( -6.259 -4.272 14.270) 16.157 12.408 ( -0.011 -2.283 0.167) 2.289 12.901 ( -4.350 -1.634 -4.653) 6.576 13.145 ( 6.078 5.846 -0.102) 8.433 13.595 ( 0.713 -4.138 -14.479) 15.076 14.395 ( -19.060 5.377 19.147) 27.546 15.167 ( 8.519 14.651 1.812) 17.045 15.795 ( -4.109 2.557 -18.754) 19.369 16.001 ( 5.236 5.890 -14.432) 16.444 20.627 ( -0.674 -2.975 0.287) 3.064 20.913 ( -6.037 2.474 -7.156) 9.684 22.041 ( 0.098 0.294 3.042) 3.058 22.465 ( 10.201 5.316 -11.291) 16.118 23.273 ( -0.312 1.888 11.653) 11.809 23.777 ( -0.085 -1.427 -4.940) 5.143 ======================= Grid point 336 (103/155) ======================= q-point: ( 0.40 0.10 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 9.282 -6.738 6.937) 13.404 1.481 ( 2.386 -2.993 9.792) 10.514 1.866 ( 0.788 -6.140 -9.009) 10.931 1.989 ( -6.237 -2.164 2.894) 7.208 2.194 ( -0.267 6.431 2.924) 7.070 2.400 ( -3.921 2.901 -1.835) 5.212 2.552 ( -1.093 5.742 -7.702) 9.669 2.664 ( 0.462 4.356 -5.138) 6.752 2.955 ( -0.027 4.193 0.373) 4.210 3.162 ( 0.108 4.729 -1.175) 4.874 3.227 ( -1.618 -0.389 0.959) 1.921 3.337 ( -5.366 2.613 1.621) 6.184 3.861 ( 6.352 -1.300 8.770) 10.906 4.180 ( 0.005 -6.896 5.023) 8.532 4.330 ( 2.540 -3.661 1.762) 4.792 4.618 ( 1.325 -0.113 -0.032) 1.330 4.662 ( 0.256 -2.664 -0.668) 2.758 4.853 ( 7.236 1.938 -6.883) 10.173 5.019 ( -0.185 0.863 8.042) 8.091 5.763 ( -1.997 2.627 -5.293) 6.237 7.155 ( -2.054 -0.799 4.144) 4.694 7.415 ( -6.577 -1.782 3.843) 7.823 7.666 ( 4.914 0.165 -3.186) 5.859 7.901 ( 0.399 5.308 -11.162) 12.366 8.672 ( 5.867 -10.970 7.416) 14.484 8.898 ( -0.186 -0.271 4.629) 4.641 9.216 ( 0.672 0.301 -4.866) 4.922 9.328 ( 4.564 -6.423 -8.644) 11.696 10.239 ( -6.145 -18.067 13.367) 23.299 10.685 ( -2.142 -23.676 -1.129) 23.799 10.824 ( 0.092 -5.496 37.681) 38.080 11.324 ( -1.077 -2.169 18.656) 18.813 11.835 ( 4.454 -11.038 16.053) 19.984 12.167 ( -6.024 -6.838 15.012) 17.562 12.497 ( 1.377 -7.314 3.220) 8.109 12.881 ( -4.375 0.716 0.057) 4.434 13.075 ( 3.756 4.936 2.648) 6.744 13.653 ( 0.961 -1.297 -10.521) 10.644 14.189 ( -15.768 4.954 14.060) 21.699 14.925 ( 6.247 16.132 3.850) 17.723 15.723 ( -3.248 2.627 -22.042) 22.434 15.905 ( 4.653 7.802 -17.351) 19.585 20.680 ( 0.071 -2.992 -1.554) 3.372 20.842 ( -4.022 1.721 -5.356) 6.915 22.035 ( -0.110 0.320 2.941) 2.960 22.413 ( 6.509 5.952 -9.409) 12.897 23.239 ( -0.195 1.647 12.338) 12.449 23.794 ( -0.145 -0.539 -5.787) 5.814 ======================= Grid point 337 (104/155) ======================= q-point: ( 0.50 0.10 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 3.421 -5.216 8.422) 10.480 1.542 ( 2.053 -1.882 5.231) 5.926 1.930 ( -2.866 1.028 4.695) 5.596 2.002 ( 0.744 -2.984 -7.427) 8.038 2.134 ( 0.854 -1.515 -0.357) 1.776 2.330 ( -3.954 3.714 -7.889) 9.574 2.456 ( -1.231 2.970 -5.867) 6.690 2.579 ( -2.392 3.494 -6.569) 7.815 2.904 ( 3.829 1.919 -1.715) 4.614 3.074 ( 0.676 4.249 -1.306) 4.496 3.231 ( -2.177 -0.205 2.583) 3.384 3.268 ( -2.714 1.354 -0.106) 3.035 3.890 ( 2.846 1.611 8.347) 8.964 4.303 ( -1.532 -6.445 0.970) 6.695 4.395 ( 2.481 -2.101 3.765) 4.974 4.616 ( -0.408 0.423 3.963) 4.006 4.659 ( 2.625 3.863 -0.132) 4.673 4.852 ( 4.018 2.048 1.200) 4.666 5.011 ( -0.262 -0.154 4.940) 4.949 5.706 ( -0.597 2.336 -2.882) 3.757 7.191 ( -0.987 -3.481 -0.244) 3.626 7.426 ( -5.798 -3.794 4.736) 8.393 7.674 ( 4.807 2.267 -2.389) 5.827 7.803 ( 0.501 5.206 -14.084) 15.024 8.790 ( 1.267 -2.139 7.865) 8.248 8.940 ( -0.670 -3.096 2.089) 3.794 9.172 ( 0.368 3.273 -3.499) 4.806 9.448 ( 1.871 -3.340 -10.062) 10.766 10.565 ( -2.009 -18.298 21.430) 28.251 10.875 ( -0.356 -0.993 35.045) 35.061 11.083 ( 1.469 -16.953 3.801) 17.436 11.332 ( -1.583 0.792 13.174) 13.292 12.014 ( 2.582 -5.132 17.854) 18.756 12.287 ( -3.068 -9.865 16.392) 19.376 12.618 ( 1.339 -0.206 5.273) 5.444 12.866 ( 2.709 -0.489 5.721) 6.349 13.065 ( -4.358 -7.938 -0.734) 9.085 13.634 ( 2.656 5.911 -8.326) 10.550 14.014 ( -11.052 3.770 13.175) 17.605 14.705 ( 3.937 10.512 3.138) 11.655 15.666 ( -2.655 1.273 -24.034) 24.213 15.794 ( 3.579 6.688 -20.646) 21.996 20.730 ( 0.487 -1.948 -2.541) 3.238 20.801 ( -2.067 0.465 -4.143) 4.653 22.030 ( -0.175 0.117 2.731) 2.739 22.344 ( 2.934 4.589 -7.194) 9.024 23.213 ( -0.132 1.007 12.626) 12.667 23.797 ( -0.083 -0.040 -6.306) 6.307 ======================= Grid point 338 (105/155) ======================= q-point: (-0.40 0.10 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -4.626 3.885 8.852) 10.717 1.589 ( 3.845 0.212 3.480) 5.190 1.929 ( 1.601 -2.530 3.967) 4.970 2.013 ( 0.191 -0.467 -0.529) 0.731 2.172 ( -3.334 6.175 -8.128) 10.738 2.281 ( 1.587 -6.754 -10.641) 12.703 2.435 ( -0.322 -0.742 -4.729) 4.798 2.541 ( -3.433 -1.651 -6.976) 7.949 2.915 ( 7.119 1.948 -1.116) 7.464 3.053 ( 3.475 -1.384 -1.052) 3.886 3.201 ( -4.721 -0.126 1.530) 4.964 3.266 ( -0.918 -1.572 1.112) 2.133 3.843 ( -2.819 2.978 7.876) 8.879 4.365 ( -1.681 -1.400 0.100) 2.190 4.451 ( 1.262 -1.025 1.628) 2.301 4.577 ( 0.208 2.968 4.443) 5.347 4.612 ( 2.368 1.827 3.133) 4.332 4.833 ( 1.803 2.021 1.488) 3.090 5.006 ( -2.202 0.147 6.745) 7.097 5.682 ( -0.009 -0.268 -1.905) 1.924 7.235 ( -0.025 -0.965 -2.299) 2.494 7.468 ( -3.432 -3.446 4.359) 6.531 7.659 ( 4.290 2.191 -0.585) 4.853 7.742 ( -0.175 0.874 -15.740) 15.765 8.812 ( 0.247 0.359 8.335) 8.347 8.964 ( -1.564 0.201 0.166) 1.585 9.132 ( -0.030 0.421 -3.235) 3.262 9.478 ( 0.479 0.736 -10.434) 10.471 10.793 ( 0.753 -1.417 29.450) 29.494 10.839 ( -0.854 -0.009 29.104) 29.116 11.251 ( -1.345 6.249 8.167) 10.371 11.311 ( 1.679 -5.966 9.186) 11.081 12.050 ( -0.396 1.649 17.773) 17.854 12.449 ( 1.968 -3.790 13.289) 13.958 12.551 ( -1.265 0.910 18.958) 19.022 12.839 ( 0.783 4.454 0.509) 4.551 13.333 ( -2.058 -15.810 -7.695) 17.704 13.432 ( 1.550 13.846 -2.345) 14.128 14.003 ( -1.797 -8.134 13.471) 15.838 14.604 ( 1.268 2.835 1.196) 3.328 15.653 ( -2.499 -1.872 -23.851) 24.055 15.725 ( 2.384 2.686 -22.787) 23.068 20.739 ( -0.754 0.654 -2.667) 2.848 20.812 ( 0.966 -1.861 -4.375) 4.852 22.029 ( -0.113 -0.099 2.545) 2.550 22.292 ( 0.019 2.054 -5.587) 5.953 23.203 ( -0.105 -0.030 12.697) 12.698 23.797 ( 0.011 -0.065 -6.499) 6.499 ======================= Grid point 339 (106/155) ======================= q-point: (-0.30 0.10 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -4.395 8.283 9.775) 13.546 1.544 ( 0.507 5.481 5.732) 7.947 1.962 ( -0.699 5.791 -10.489) 12.002 2.041 ( 3.815 -5.036 2.004) 6.628 2.111 ( -1.468 -3.181 0.158) 3.507 2.403 ( 1.564 -4.858 -8.899) 10.259 2.478 ( 0.665 -3.781 -5.787) 6.944 2.585 ( -2.099 -4.803 -6.578) 8.411 2.930 ( 5.667 0.280 2.445) 6.179 3.096 ( -1.424 0.755 0.872) 1.833 3.210 ( 0.662 -2.986 0.313) 3.075 3.328 ( 0.084 -6.651 1.500) 6.819 3.772 ( -4.345 1.905 7.199) 8.622 4.331 ( -2.279 4.105 5.064) 6.906 4.399 ( 4.562 5.962 -2.376) 7.874 4.550 ( -4.230 0.742 4.081) 5.924 4.635 ( 1.752 -2.450 1.544) 3.385 4.790 ( -1.837 2.721 -3.759) 4.990 4.995 ( -0.899 -0.858 10.584) 10.657 5.719 ( 0.351 -3.530 -2.491) 4.334 7.224 ( 1.043 1.845 -0.824) 2.274 7.481 ( -1.574 0.547 3.964) 4.300 7.663 ( 3.556 0.061 -0.868) 3.661 7.778 ( -1.265 -4.788 -15.575) 16.343 8.765 ( -0.520 5.559 7.798) 9.590 8.919 ( -1.542 2.688 1.622) 3.498 9.161 ( -0.301 -3.088 -4.786) 5.704 9.418 ( -0.420 6.305 -9.554) 11.455 10.616 ( 1.413 14.603 20.407) 25.134 10.877 ( -0.121 1.107 36.817) 36.834 11.050 ( -0.790 14.551 3.093) 14.897 11.372 ( 1.140 -0.002 14.261) 14.307 11.952 ( -1.549 8.178 16.805) 18.753 12.378 ( 2.588 6.367 18.434) 19.673 12.633 ( 2.929 3.722 4.753) 6.710 12.758 ( -5.153 -3.676 8.169) 10.334 13.168 ( 2.685 10.202 0.407) 10.557 13.588 ( -1.046 -8.073 -12.231) 14.692 14.252 ( 5.719 -15.790 12.807) 21.120 14.607 ( -2.661 -3.680 2.206) 5.049 15.704 ( -2.116 -5.133 -21.993) 22.683 15.730 ( 1.338 -1.837 -21.872) 21.990 20.714 ( -0.430 1.517 -2.323) 2.807 20.864 ( 1.905 -2.689 -6.020) 6.863 22.031 ( -0.044 -0.213 2.488) 2.497 22.271 ( -2.006 -0.305 -4.908) 5.311 23.213 ( -0.082 -1.093 12.654) 12.701 23.799 ( 0.063 -0.060 -6.360) 6.361 ======================= Grid point 340 (107/155) ======================= q-point: (-0.20 0.10 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -2.833 10.385 7.483) 13.109 1.434 ( -0.768 5.541 11.286) 12.597 1.847 ( -0.325 5.566 -12.557) 13.740 2.114 ( 1.970 1.013 -1.536) 2.696 2.199 ( -0.002 -6.639 1.202) 6.747 2.502 ( 2.290 -4.864 -2.280) 5.839 2.560 ( -0.082 -4.616 -5.398) 7.103 2.682 ( 1.104 -5.598 -4.486) 7.258 2.976 ( 2.681 -1.970 4.863) 5.892 3.037 ( -6.295 0.711 4.442) 7.737 3.277 ( 0.805 -3.433 -3.162) 4.736 3.487 ( 4.232 -7.596 5.332) 10.200 3.719 ( -3.578 1.218 7.634) 8.518 4.204 ( -0.833 7.833 9.445) 12.298 4.346 ( 6.378 3.778 -6.999) 10.195 4.480 ( -7.489 2.450 -0.202) 7.882 4.661 ( -0.097 0.686 0.267) 0.742 4.733 ( -1.326 2.265 -6.535) 7.042 5.029 ( 0.216 -2.515 9.839) 10.158 5.800 ( 0.571 -4.304 -4.717) 6.411 7.216 ( 1.479 -0.825 3.260) 3.674 7.447 ( -1.646 1.214 3.011) 3.640 7.679 ( 2.757 1.060 -2.630) 3.955 7.869 ( -1.219 -5.137 -12.992) 14.024 8.554 ( -2.009 17.452 6.868) 18.862 8.886 ( -0.416 -0.235 4.754) 4.778 9.218 ( 1.261 0.819 -6.888) 7.050 9.245 ( -2.253 7.939 -8.452) 11.812 10.349 ( 1.639 14.601 11.759) 18.819 10.732 ( 0.934 18.652 -1.968) 18.779 10.809 ( -0.540 5.662 41.154) 41.545 11.346 ( 0.392 2.998 19.738) 19.968 11.763 ( -0.981 10.885 16.029) 19.401 12.287 ( 1.975 5.743 15.279) 16.442 12.483 ( 0.047 7.224 6.003) 9.393 12.896 ( -1.022 -9.071 2.898) 9.578 13.060 ( 0.781 4.583 -0.393) 4.665 13.643 ( -0.090 0.759 -15.162) 15.181 14.568 ( 12.794 -10.563 9.843) 19.291 14.715 ( -10.276 -13.172 7.122) 18.161 15.787 ( 1.414 -3.955 -19.844) 20.284 15.809 ( -1.977 -6.502 -18.035) 19.273 20.680 ( 0.001 2.157 -1.527) 2.643 20.936 ( 1.795 -3.920 -8.514) 9.543 22.035 ( -0.035 -0.235 2.504) 2.515 22.273 ( -2.476 -1.505 -4.877) 5.672 23.240 ( -0.035 -1.805 12.437) 12.567 23.796 ( 0.047 0.531 -5.851) 5.876 ======================= Grid point 341 (108/155) ======================= q-point: (-0.10 0.10 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -0.000 11.839 4.040) 12.510 1.362 ( -0.000 1.765 15.987) 16.084 1.757 ( -0.000 4.320 -14.395) 15.030 2.043 ( -0.000 6.599 1.037) 6.680 2.324 ( 0.000 -6.997 1.728) 7.207 2.585 ( 0.000 -2.791 3.322) 4.339 2.631 ( 0.000 -2.628 -4.108) 4.877 2.761 ( 0.000 -2.156 -1.117) 2.428 2.992 ( 0.000 -1.681 5.914) 6.148 3.107 ( 0.000 -8.873 5.264) 10.317 3.334 ( 0.000 -2.023 -4.141) 4.609 3.618 ( 0.000 -4.482 10.941) 11.824 3.686 ( -0.000 0.664 8.074) 8.102 4.051 ( -0.000 8.378 9.527) 12.687 4.324 ( -0.000 1.836 -10.051) 10.217 4.409 ( -0.000 1.281 -4.394) 4.577 4.632 ( -0.000 2.145 -3.309) 3.944 4.663 ( -0.000 5.199 -7.703) 9.293 5.061 ( 0.000 -0.355 7.845) 7.853 5.856 ( 0.000 -1.110 -7.808) 7.886 7.289 ( 0.000 -6.699 7.597) 10.129 7.436 ( 0.000 -0.924 0.906) 1.295 7.652 ( -0.000 2.905 -4.202) 5.108 7.898 ( -0.000 4.332 -4.632) 6.342 8.168 ( -0.000 19.465 3.186) 19.724 8.922 ( 0.000 -3.652 7.248) 8.116 8.957 ( -0.000 17.885 -14.452) 22.995 9.291 ( 0.000 -3.165 -4.388) 5.410 10.134 ( -0.000 8.850 5.515) 10.428 10.436 ( -0.000 13.144 -3.847) 13.696 10.699 ( -0.000 5.843 44.190) 44.574 11.281 ( -0.000 3.922 24.190) 24.506 11.568 ( -0.000 9.702 15.776) 18.521 12.200 ( -0.000 4.047 13.520) 14.112 12.409 ( -0.000 1.732 2.393) 2.954 12.981 ( -0.000 4.145 -3.095) 5.173 13.044 ( 0.000 -7.274 -3.659) 8.142 13.588 ( -0.000 4.555 -17.448) 18.033 14.775 ( 0.000 -8.195 10.553) 13.362 14.937 ( 0.000 -13.296 9.209) 16.174 15.865 ( 0.000 -3.684 -16.610) 17.014 15.912 ( 0.000 -5.216 -15.022) 15.902 20.637 ( -0.000 2.431 0.324) 2.452 21.023 ( 0.000 -4.604 -11.169) 12.081 22.039 ( 0.000 -0.139 2.553) 2.557 22.294 ( 0.000 -1.680 -5.306) 5.565 23.276 ( 0.000 -2.102 11.813) 11.999 23.778 ( -0.000 1.537 -4.967) 5.200 ======================= Grid point 344 (109/155) ======================= q-point: ( 0.20 0.20 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 20.454 -0.000 -0.819) 20.471 1.382 ( 3.901 -0.000 12.988) 13.561 1.727 ( 3.054 -0.000 -11.351) 11.755 1.809 ( -5.408 0.000 11.655) 12.848 2.527 ( -0.900 0.000 -4.616) 4.703 2.602 ( -0.042 0.000 1.129) 1.129 2.759 ( 6.701 -0.000 3.506) 7.563 2.768 ( 4.174 -0.000 6.075) 7.371 3.095 ( -7.122 0.000 0.975) 7.189 3.170 ( -8.536 0.000 8.918) 12.345 3.250 ( -3.393 0.000 -3.503) 4.877 3.549 ( -7.385 0.000 8.815) 11.500 3.674 ( -2.628 0.000 9.069) 9.442 3.866 ( -1.184 0.000 6.366) 6.475 4.332 ( -1.312 0.000 -6.983) 7.105 4.371 ( 2.018 -0.000 -11.408) 11.585 4.640 ( 8.274 -0.000 -8.673) 11.986 4.705 ( 10.172 -0.000 -8.980) 13.569 5.002 ( -1.491 0.000 6.320) 6.494 5.757 ( -3.718 0.000 -10.662) 11.292 7.272 ( -5.872 0.000 4.492) 7.393 7.498 ( -4.905 0.000 10.611) 11.690 7.660 ( 6.357 -0.000 -3.928) 7.473 7.817 ( 3.209 -0.000 1.826) 3.692 8.029 ( 18.528 -0.000 1.351) 18.577 8.466 ( -1.054 0.000 -13.190) 13.232 9.073 ( 2.165 -0.000 4.997) 5.445 9.353 ( 0.794 -0.000 -2.068) 2.215 9.910 ( -10.389 0.000 0.087) 10.390 10.059 ( -9.480 0.000 -1.109) 9.545 10.581 ( 0.136 -0.000 45.624) 45.624 11.214 ( 1.478 -0.000 25.240) 25.284 11.387 ( 1.322 -0.000 16.646) 16.698 12.031 ( -7.167 0.000 15.255) 16.854 12.388 ( -0.212 0.000 -11.437) 11.439 12.855 ( -2.467 0.000 -6.801) 7.235 13.280 ( 5.934 -0.000 -0.502) 5.956 13.478 ( 1.643 -0.000 -20.185) 20.252 14.511 ( -22.791 0.000 26.508) 34.958 15.473 ( 10.404 -0.000 -4.646) 11.394 15.843 ( -5.506 0.000 -15.720) 16.656 16.107 ( 5.670 -0.000 -11.291) 12.635 20.560 ( -1.395 0.000 3.940) 4.180 20.968 ( -8.168 0.000 -7.769) 11.272 22.047 ( 0.410 -0.000 3.328) 3.353 22.584 ( 14.201 -0.000 -15.377) 20.931 23.320 ( -0.855 0.000 9.846) 9.883 23.731 ( 0.267 -0.000 -3.432) 3.442 ======================= Grid point 345 (110/155) ======================= q-point: ( 0.30 0.20 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 17.700 -2.552 -0.034) 17.883 1.425 ( 4.271 -1.106 13.108) 13.831 1.734 ( 0.817 -0.291 -5.371) 5.441 1.818 ( -4.164 -3.800 6.422) 8.545 2.466 ( -0.160 5.364 -2.069) 5.751 2.581 ( -0.692 3.611 2.334) 4.355 2.709 ( -0.457 4.998 -0.127) 5.021 2.810 ( 5.498 1.803 1.169) 5.903 2.998 ( -2.982 0.765 4.930) 5.812 3.198 ( -5.623 -2.651 -2.673) 6.767 3.253 ( -3.640 -1.936 1.001) 4.242 3.441 ( -9.289 4.304 5.796) 11.764 3.713 ( 0.494 -5.115 10.356) 11.561 3.928 ( -0.047 -6.937 8.219) 10.755 4.282 ( 0.968 2.499 -7.299) 7.775 4.447 ( -0.699 -5.166 -8.878) 10.295 4.665 ( 6.843 1.692 -7.644) 10.398 4.823 ( 10.527 -3.549 -8.778) 14.159 5.005 ( -1.484 -1.178 7.559) 7.793 5.760 ( -4.195 -2.373 -10.598) 11.643 7.253 ( -4.896 0.776 7.156) 8.706 7.390 ( -4.534 3.817 5.947) 8.396 7.694 ( 6.244 1.781 -2.363) 6.910 7.907 ( 2.112 -6.912 3.852) 8.190 8.172 ( 13.303 -4.484 1.189) 14.089 8.688 ( 5.411 -20.455 -11.619) 24.139 9.043 ( 2.139 4.399 4.438) 6.605 9.344 ( 1.279 1.722 -3.393) 4.014 9.856 ( -10.771 -2.763 2.265) 11.348 10.054 ( -11.326 -7.021 -2.223) 13.510 10.622 ( 0.165 -4.246 44.229) 44.433 11.238 ( 0.965 -1.597 24.067) 24.139 11.458 ( 2.214 -6.635 15.987) 17.450 12.004 ( -7.196 -2.261 14.901) 16.701 12.387 ( -0.271 -0.231 -7.876) 7.884 12.851 ( -2.943 -1.122 -6.209) 6.962 13.281 ( 7.299 4.097 -0.074) 8.371 13.527 ( 1.668 -3.638 -16.159) 16.647 14.339 ( -21.655 2.781 25.829) 33.820 15.446 ( 8.258 9.348 -3.971) 13.090 15.798 ( -5.238 1.061 -17.423) 18.225 16.117 ( 5.623 2.940 -12.092) 13.656 20.571 ( -1.225 -2.168 2.640) 3.629 20.907 ( -6.593 1.272 -6.477) 9.329 22.047 ( 0.293 0.240 3.506) 3.526 22.631 ( 12.327 4.302 -16.534) 21.067 23.300 ( -0.910 1.354 10.567) 10.693 23.748 ( 0.118 -1.464 -3.955) 4.219 ======================= Grid point 346 (111/155) ======================= q-point: ( 0.40 0.20 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 13.243 -3.518 3.112) 14.051 1.464 ( 3.168 -0.890 12.663) 13.084 1.776 ( 0.105 -3.946 -4.716) 6.151 1.871 ( -5.049 -4.962 3.708) 7.991 2.339 ( 0.368 8.569 3.635) 9.315 2.459 ( -3.053 6.218 0.850) 6.979 2.628 ( -2.288 3.377 -7.194) 8.270 2.772 ( 4.451 5.624 -2.588) 7.625 3.001 ( -0.345 0.450 3.596) 3.640 3.193 ( -4.051 0.039 -2.859) 4.959 3.212 ( -5.378 1.119 -0.288) 5.500 3.339 ( -5.857 1.524 1.580) 6.255 3.845 ( 6.690 -5.532 10.256) 13.437 4.076 ( 1.836 -7.309 8.734) 11.536 4.277 ( 1.124 -1.774 -3.140) 3.778 4.540 ( -2.087 -5.782 -4.744) 7.765 4.672 ( 4.322 1.465 -4.487) 6.400 4.924 ( 8.090 -0.366 -7.949) 11.348 5.018 ( -0.563 -0.802 7.252) 7.318 5.764 ( -3.651 -0.607 -8.759) 9.509 7.168 ( -2.238 3.519 8.443) 9.417 7.344 ( -6.631 -0.902 4.179) 7.890 7.710 ( 6.555 0.730 -3.578) 7.503 7.962 ( -1.301 1.035 -5.401) 5.651 8.458 ( 11.004 -16.128 9.164) 21.568 8.947 ( 0.914 4.576 2.750) 5.417 9.102 ( 6.095 -14.223 -6.323) 16.716 9.321 ( 3.102 1.309 -5.710) 6.628 9.912 ( -9.943 -11.305 6.704) 16.481 10.222 ( -8.833 -20.506 -4.508) 22.778 10.721 ( 0.181 -5.905 41.126) 41.548 11.277 ( -0.136 -2.206 21.925) 22.036 11.649 ( 3.976 -11.681 14.889) 19.337 12.023 ( -6.460 -4.596 14.932) 16.906 12.408 ( 0.049 -2.852 -1.081) 3.051 12.846 ( -4.077 -0.521 -5.003) 6.475 13.230 ( 6.928 6.612 0.435) 9.586 13.610 ( 1.947 -3.752 -9.687) 10.569 14.152 ( -18.601 3.213 20.263) 27.693 15.260 ( 5.953 15.388 0.007) 16.499 15.741 ( -4.056 1.795 -20.265) 20.745 16.067 ( 4.899 6.240 -14.311) 16.363 20.618 ( -0.627 -3.447 0.291) 3.516 20.844 ( -4.462 1.512 -5.304) 7.094 22.042 ( 0.030 0.452 3.464) 3.494 22.589 ( 8.674 7.457 -14.890) 18.776 23.267 ( -0.643 1.622 11.790) 11.918 23.775 ( -0.084 -1.333 -4.910) 5.088 ======================= Grid point 347 (112/155) ======================= q-point: ( 0.50 0.20 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 7.097 -3.336 8.527) 11.585 1.512 ( 2.556 -2.501 7.117) 7.965 1.867 ( -1.101 -5.408 -0.620) 5.554 1.924 ( -3.004 -4.243 -2.378) 5.716 2.194 ( 0.358 6.570 4.362) 7.895 2.354 ( -3.250 3.144 -1.520) 4.771 2.534 ( -1.464 5.450 -9.372) 10.940 2.674 ( 0.797 6.939 -5.206) 8.711 2.958 ( 0.633 2.439 0.559) 2.581 3.133 ( -3.702 1.700 -1.938) 4.511 3.217 ( -0.276 -0.760 1.649) 1.836 3.276 ( -4.038 2.193 -1.972) 5.000 3.942 ( 5.947 0.304 9.048) 10.832 4.204 ( 3.438 -5.316 4.596) 7.823 4.347 ( -0.251 -4.352 3.307) 5.472 4.612 ( -1.361 -2.694 -1.252) 3.268 4.671 ( 0.845 0.124 -0.086) 0.858 4.938 ( 5.234 2.827 -0.839) 6.007 5.023 ( 1.043 0.688 1.573) 2.009 5.738 ( -1.776 1.426 -5.587) 6.034 7.137 ( -0.651 -1.113 4.541) 4.720 7.327 ( -6.433 -2.304 5.435) 8.731 7.738 ( 5.630 1.008 -4.476) 7.263 7.898 ( -0.861 4.532 -10.685) 11.638 8.745 ( 5.422 -6.951 7.804) 11.773 8.887 ( -1.516 0.070 5.167) 5.385 9.221 ( 0.007 0.998 -2.905) 3.072 9.395 ( 5.561 -4.286 -9.470) 11.789 10.160 ( -5.933 -21.513 13.957) 26.321 10.660 ( -1.711 -27.713 -2.227) 27.855 10.822 ( -0.309 -4.934 37.639) 37.963 11.311 ( -0.833 -1.704 18.121) 18.220 11.898 ( 5.208 -10.705 15.884) 19.850 12.093 ( -5.481 -7.811 15.008) 17.785 12.519 ( 2.122 -9.097 2.033) 9.560 12.813 ( -5.631 0.386 -1.066) 5.744 13.131 ( 4.356 8.064 1.959) 9.372 13.674 ( 2.460 -1.449 -3.356) 4.407 13.996 ( -14.086 2.544 12.100) 18.743 14.991 ( 4.041 16.684 3.236) 17.469 15.683 ( -2.697 2.092 -23.104) 23.354 15.959 ( 3.630 8.274 -17.263) 19.485 20.681 ( 0.054 -3.480 -1.575) 3.821 20.799 ( -2.618 0.950 -4.165) 5.010 22.033 ( -0.152 0.395 3.222) 3.250 22.487 ( 4.804 8.006 -11.585) 14.879 23.235 ( -0.350 1.478 12.513) 12.605 23.792 ( -0.111 -0.548 -5.741) 5.768 ======================= Grid point 348 (113/155) ======================= q-point: ( 0.60 0.20 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -0.288 -0.507 9.857) 9.874 1.585 ( 3.492 -2.929 3.421) 5.699 1.902 ( -1.496 -1.285 6.016) 6.331 2.009 ( 0.302 -1.979 -6.390) 6.696 2.149 ( 1.403 -3.384 -0.860) 3.762 2.279 ( -3.624 4.076 -6.736) 8.668 2.439 ( -1.127 2.821 -7.387) 7.988 2.554 ( -1.295 4.920 -5.801) 7.716 2.962 ( 4.683 -1.038 -1.544) 5.039 3.093 ( 1.075 1.792 -1.187) 2.404 3.180 ( -3.561 2.550 1.079) 4.511 3.245 ( -1.811 -0.311 -1.107) 2.145 3.909 ( 0.337 4.856 8.349) 9.664 4.305 ( 1.556 -3.564 1.923) 4.338 4.417 ( 0.467 -3.615 5.082) 6.254 4.609 ( -0.050 2.342 2.833) 3.676 4.677 ( 0.253 0.094 1.011) 1.046 4.911 ( 4.813 3.446 2.256) 6.334 4.999 ( -1.651 1.501 1.838) 2.891 5.699 ( -0.415 1.755 -2.883) 3.401 7.184 ( -0.174 -3.569 -0.248) 3.581 7.358 ( -4.245 -4.892 6.149) 8.931 7.736 ( 4.370 2.712 -4.258) 6.677 7.804 ( -0.486 4.888 -13.433) 14.303 8.806 ( 1.099 -0.639 7.650) 7.755 8.925 ( -1.373 -3.061 3.021) 4.515 9.174 ( 0.049 3.267 -2.711) 4.246 9.471 ( 1.530 -1.739 -10.508) 10.760 10.544 ( -1.219 -20.264 21.601) 29.644 10.870 ( -0.341 -0.736 34.762) 34.771 11.099 ( 1.013 -18.342 3.844) 18.768 11.315 ( -0.966 1.140 12.799) 12.886 12.040 ( 1.321 -2.838 17.832) 18.105 12.260 ( -1.147 -12.217 16.691) 20.716 12.640 ( 1.759 3.446 5.780) 6.955 12.886 ( 0.500 -12.468 1.528) 12.572 13.019 ( -2.502 1.187 0.092) 2.771 13.676 ( 3.953 6.029 -5.799) 9.252 13.881 ( -9.361 -0.472 13.790) 16.674 14.747 ( 2.363 11.398 3.074) 12.039 15.637 ( -1.686 1.192 -24.718) 24.805 15.832 ( 2.164 7.158 -20.397) 21.725 20.732 ( -0.088 -1.459 -2.643) 3.020 20.783 ( -0.702 -0.979 -3.542) 3.742 22.027 ( -0.159 0.098 2.877) 2.883 22.375 ( 1.755 6.243 -8.148) 10.413 23.211 ( -0.164 0.932 12.765) 12.801 23.796 ( -0.045 -0.087 -6.279) 6.280 ======================= Grid point 349 (114/155) ======================= q-point: (-0.30 0.20 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -1.909 5.078 10.338) 11.675 1.623 ( 1.414 1.574 2.375) 3.181 1.950 ( 1.135 -4.151 3.275) 5.408 2.017 ( 0.312 -1.558 1.085) 1.924 2.134 ( -1.982 7.476 -9.793) 12.479 2.295 ( 0.550 -7.645 -9.305) 12.056 2.431 ( -0.215 -1.776 -5.931) 6.195 2.506 ( -1.544 -0.991 -6.030) 6.303 3.010 ( 6.426 2.191 -0.778) 6.834 3.096 ( 0.624 -0.639 -0.117) 0.901 3.151 ( -1.055 -3.971 0.436) 4.132 3.232 ( -3.491 -0.459 0.278) 3.532 3.810 ( -1.654 4.523 7.515) 8.926 4.346 ( -0.821 -0.750 0.275) 1.146 4.483 ( 3.097 -1.197 4.473) 5.570 4.540 ( -3.569 2.746 4.915) 6.666 4.663 ( 2.796 2.389 3.491) 5.071 4.858 ( 1.637 5.137 -7.264) 9.046 4.973 ( -2.119 -0.643 12.147) 12.348 5.682 ( -0.006 -0.451 -1.749) 1.806 7.235 ( -0.003 -1.452 -2.324) 2.740 7.433 ( -1.512 -4.513 5.520) 7.289 7.708 ( 2.948 2.382 -3.433) 5.114 7.736 ( -1.019 1.410 -14.267) 14.373 8.816 ( 0.227 0.540 8.299) 8.320 8.945 ( -1.020 0.416 0.552) 1.232 9.131 ( -0.035 0.615 -3.183) 3.242 9.483 ( 0.286 1.201 -10.532) 10.604 10.806 ( 1.185 -3.977 29.502) 29.793 10.825 ( -1.249 1.668 29.070) 29.145 11.238 ( -0.523 6.939 7.826) 10.472 11.328 ( 0.730 -6.487 9.527) 11.549 12.046 ( -0.233 2.539 17.303) 17.490 12.479 ( 2.150 -9.130 15.858) 18.424 12.529 ( -1.733 4.587 16.890) 17.587 12.849 ( 0.528 7.697 0.399) 7.725 13.311 ( -1.072 -20.440 -7.662) 21.855 13.448 ( 0.727 16.967 -2.609) 17.182 13.982 ( -1.072 -12.929 14.045) 19.120 14.619 ( 0.737 4.179 0.961) 4.351 15.630 ( -0.971 -1.612 -24.361) 24.433 15.747 ( 0.900 2.928 -22.338) 22.547 20.731 ( -0.361 0.687 -2.559) 2.674 20.823 ( 0.493 -2.650 -4.571) 5.307 22.027 ( -0.070 -0.149 2.586) 2.591 22.292 ( 0.012 3.326 -5.629) 6.538 23.202 ( -0.065 -0.052 12.784) 12.784 23.797 ( 0.007 -0.104 -6.498) 6.499 ======================= Grid point 350 (115/155) ======================= q-point: (-0.20 0.20 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -0.000 8.458 10.352) 13.368 1.548 ( -0.000 6.264 5.629) 8.422 1.957 ( -0.000 6.126 -11.166) 12.736 2.084 ( 0.000 -4.842 0.922) 4.929 2.084 ( 0.000 -4.494 0.877) 4.579 2.414 ( 0.000 -5.499 -8.838) 10.409 2.484 ( 0.000 -3.654 -6.299) 7.283 2.568 ( 0.000 -5.876 -5.900) 8.327 2.986 ( -0.000 1.609 4.193) 4.491 3.066 ( -0.000 2.943 1.007) 3.110 3.225 ( 0.000 -1.976 -0.430) 2.022 3.324 ( 0.000 -10.611 0.806) 10.641 3.741 ( -0.000 2.434 7.152) 7.555 4.314 ( -0.000 4.247 4.543) 6.219 4.441 ( -0.000 3.895 -4.047) 5.617 4.510 ( -0.000 2.520 6.479) 6.952 4.653 ( 0.000 -0.723 3.599) 3.671 4.774 ( -0.000 3.419 -7.436) 8.184 4.989 ( 0.000 -1.580 12.123) 12.225 5.722 ( 0.000 -3.727 -2.365) 4.414 7.231 ( -0.000 1.342 -0.982) 1.662 7.468 ( -0.000 0.446 4.346) 4.369 7.692 ( -0.000 0.226 -0.228) 0.321 7.767 ( 0.000 -4.698 -16.787) 17.432 8.762 ( -0.000 6.365 7.668) 9.965 8.907 ( -0.000 2.377 1.821) 2.994 9.159 ( 0.000 -3.090 -4.929) 5.817 9.415 ( -0.000 6.782 -9.561) 11.722 10.625 ( -0.000 14.055 20.082) 24.512 10.876 ( -0.000 1.049 37.382) 37.396 11.045 ( -0.000 14.235 2.844) 14.516 11.380 ( -0.000 0.142 14.484) 14.485 11.942 ( -0.000 8.495 16.563) 18.614 12.395 ( -0.000 5.982 19.030) 19.948 12.672 ( -0.000 11.661 2.111) 11.851 12.704 ( 0.000 -11.266 10.760) 15.579 13.186 ( -0.000 10.159 0.655) 10.181 13.581 ( 0.000 -8.580 -12.707) 15.333 14.290 ( 0.000 -19.686 13.116) 23.655 14.589 ( 0.000 -0.649 1.617) 1.742 15.689 ( 0.000 -5.177 -21.822) 22.427 15.740 ( 0.000 -1.605 -21.927) 21.986 20.712 ( -0.000 1.384 -2.293) 2.678 20.877 ( 0.000 -3.109 -6.430) 7.142 22.031 ( 0.000 -0.230 2.465) 2.475 22.257 ( -0.000 0.533 -4.474) 4.506 23.213 ( 0.000 -1.100 12.699) 12.747 23.800 ( 0.000 -0.076 -6.369) 6.369 ======================= Grid point 355 (116/155) ======================= q-point: ( 0.30 0.30 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 17.144 -0.000 -1.482) 17.208 1.442 ( 5.216 -0.000 11.392) 12.529 1.748 ( -3.830 0.000 13.067) 13.616 1.758 ( 1.642 -0.000 -8.627) 8.782 2.517 ( -0.836 0.000 -7.062) 7.111 2.589 ( -1.463 0.000 1.640) 2.197 2.802 ( 0.900 -0.000 6.741) 6.801 2.870 ( 9.783 -0.000 0.657) 9.805 3.014 ( -4.981 0.000 0.957) 5.073 3.052 ( -8.460 0.000 5.428) 10.052 3.225 ( -1.603 0.000 -1.901) 2.486 3.445 ( -7.934 0.000 4.921) 9.336 3.622 ( -5.142 0.000 9.556) 10.851 3.853 ( -0.732 0.000 7.069) 7.107 4.306 ( -2.462 0.000 -8.501) 8.850 4.399 ( 1.836 -0.000 -12.125) 12.263 4.745 ( 7.935 -0.000 -7.081) 10.635 4.844 ( 10.791 -0.000 -7.800) 13.314 4.985 ( -1.203 0.000 6.993) 7.096 5.706 ( -4.074 0.000 -11.502) 12.202 7.223 ( -1.909 0.000 7.247) 7.494 7.428 ( -5.764 0.000 9.191) 10.849 7.725 ( 3.496 -0.000 -4.519) 5.713 7.870 ( 4.413 -0.000 3.679) 5.745 8.252 ( 15.675 -0.000 5.234) 16.526 8.471 ( 2.122 -0.000 -8.779) 9.032 9.104 ( 2.633 -0.000 2.117) 3.379 9.375 ( 2.931 -0.000 -3.599) 4.642 9.760 ( -12.536 0.000 0.659) 12.553 9.919 ( -12.151 0.000 -2.220) 12.352 10.580 ( -0.204 0.000 46.206) 46.207 11.232 ( 1.348 -0.000 23.635) 23.673 11.408 ( 2.019 -0.000 16.416) 16.539 11.936 ( -7.255 0.000 15.068) 16.724 12.385 ( -0.124 0.000 -11.263) 11.263 12.825 ( -2.205 0.000 -6.502) 6.865 13.378 ( 9.401 -0.000 5.199) 10.743 13.499 ( 1.570 -0.000 -19.689) 19.751 14.223 ( -21.939 0.000 28.569) 36.021 15.585 ( 7.036 -0.000 -7.680) 10.416 15.772 ( -5.338 0.000 -17.525) 18.320 16.178 ( 5.233 -0.000 -10.942) 12.129 20.542 ( -1.305 0.000 3.729) 3.951 20.878 ( -5.601 0.000 -5.714) 8.002 22.052 ( 0.351 -0.000 3.866) 3.882 22.752 ( 11.479 -0.000 -19.880) 22.956 23.306 ( -1.401 0.000 10.074) 10.171 23.735 ( 0.254 -0.000 -3.510) 3.519 ======================= Grid point 356 (117/155) ======================= q-point: ( 0.40 0.30 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 13.669 -1.152 -0.763) 13.739 1.478 ( 3.525 -0.145 12.465) 12.954 1.728 ( -1.454 -0.843 7.777) 7.957 1.786 ( -0.901 -2.101 -3.874) 4.498 2.461 ( -0.572 4.537 -3.200) 5.582 2.577 ( 0.118 3.836 1.279) 4.045 2.679 ( -3.681 7.510 1.589) 8.513 2.900 ( 7.051 3.492 -0.625) 7.893 2.974 ( 0.094 -1.872 3.851) 4.283 3.121 ( -6.076 -5.412 -0.367) 8.145 3.198 ( -4.429 1.859 -1.610) 5.066 3.331 ( -7.783 3.320 2.406) 8.797 3.730 ( 2.161 -10.716 10.208) 14.957 3.921 ( -1.013 -7.563 8.126) 11.147 4.285 ( -0.499 0.638 -7.364) 7.409 4.441 ( -0.230 -3.523 -10.453) 11.033 4.750 ( 6.177 3.313 -5.477) 8.896 4.943 ( 7.139 -2.327 -5.074) 9.062 4.993 ( 0.296 -1.524 4.402) 4.668 5.706 ( -3.926 -2.338 -11.316) 12.204 7.210 ( -1.872 1.449 9.695) 9.980 7.335 ( -3.980 3.908 6.292) 8.409 7.756 ( 3.468 -0.260 -4.302) 5.532 7.924 ( 0.640 -3.068 1.773) 3.600 8.331 ( 10.828 -4.291 7.705) 13.965 8.773 ( 7.113 -22.506 -5.514) 24.239 9.072 ( 2.210 4.989 1.485) 5.655 9.377 ( 4.346 1.992 -5.364) 7.185 9.711 ( -11.323 -3.791 2.296) 12.159 9.898 ( -12.591 -7.446 -3.614) 15.068 10.622 ( -0.126 -4.454 44.679) 44.901 11.249 ( 0.725 -0.997 22.775) 22.808 11.490 ( 2.631 -7.365 15.587) 17.439 11.916 ( -6.149 -2.603 15.268) 16.664 12.384 ( -0.155 -0.174 -8.106) 8.110 12.817 ( -2.167 -0.471 -6.125) 6.514 13.385 ( 8.344 4.978 -0.552) 9.732 13.557 ( 3.509 -3.793 -10.191) 11.426 14.071 ( -20.039 1.551 26.206) 33.026 15.531 ( 5.098 9.784 -5.732) 12.433 15.735 ( -4.232 0.569 -19.054) 19.526 16.183 ( 4.310 3.037 -11.902) 13.018 20.557 ( -0.930 -2.411 2.548) 3.629 20.839 ( -3.894 0.837 -5.098) 6.470 22.050 ( 0.192 0.369 3.970) 3.992 22.767 ( 8.588 5.340 -20.189) 22.580 23.286 ( -1.220 1.028 11.088) 11.203 23.749 ( 0.091 -1.305 -3.980) 4.190 ======================= Grid point 357 (118/155) ======================= q-point: ( 0.50 0.30 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 8.963 -1.116 4.792) 10.224 1.493 ( 1.194 -0.747 9.851) 9.951 1.769 ( -0.957 -4.276 5.900) 7.349 1.828 ( -1.681 -3.628 -4.432) 5.969 2.350 ( 1.607 8.720 4.348) 9.875 2.420 ( -3.021 6.901 1.428) 7.667 2.601 ( -1.751 2.693 -7.955) 8.579 2.828 ( 3.746 7.913 -3.576) 9.457 2.996 ( -0.014 1.167 3.569) 3.755 3.105 ( -6.800 0.019 0.347) 6.809 3.185 ( -0.474 -2.248 -3.109) 3.866 3.273 ( -4.563 -0.117 -1.506) 4.807 3.940 ( 7.360 -6.348 9.442) 13.550 4.085 ( -0.805 -10.416 8.678) 13.582 4.285 ( 0.246 -0.905 -2.523) 2.692 4.514 ( -1.716 -4.970 -6.611) 8.447 4.720 ( 2.854 3.050 -2.885) 5.077 4.984 ( 1.017 -0.117 6.429) 6.510 5.039 ( 3.797 -0.670 -7.201) 8.168 5.723 ( -2.577 -1.475 -9.220) 9.687 7.150 ( -0.675 2.603 9.320) 9.700 7.274 ( -4.111 0.540 5.866) 7.184 7.784 ( 4.719 0.185 -5.538) 7.279 7.938 ( -2.233 0.903 -5.289) 5.811 8.580 ( 7.343 -13.737 13.303) 20.484 8.957 ( 0.647 6.613 1.276) 6.766 9.157 ( 1.996 -10.283 -2.003) 10.665 9.393 ( 7.700 -0.489 -8.083) 11.174 9.783 ( -9.618 -12.968 6.470) 17.394 10.117 ( -6.686 -25.372 -5.770) 26.865 10.721 ( -0.053 -5.895 41.060) 41.481 11.275 ( -0.085 -1.609 21.172) 21.233 11.701 ( 3.726 -12.958 14.025) 19.454 11.948 ( -4.801 -4.641 15.813) 17.165 12.409 ( 0.041 -3.371 -1.873) 3.857 12.803 ( -2.511 0.700 -5.046) 5.680 13.313 ( 5.404 7.830 -2.907) 9.948 13.653 ( 5.139 -3.074 0.412) 6.002 13.929 ( -15.870 0.912 17.197) 23.418 15.318 ( 3.117 15.793 -0.746) 16.115 15.698 ( -2.553 1.208 -21.473) 21.658 16.119 ( 2.922 6.482 -14.256) 15.931 20.612 ( -0.367 -3.809 0.313) 3.839 20.802 ( -2.204 1.037 -4.395) 5.024 22.042 ( -0.010 0.586 3.787) 3.832 22.677 ( 4.900 8.840 -17.376) 20.102 23.258 ( -0.622 1.307 12.248) 12.333 23.775 ( -0.050 -1.260 -4.881) 5.041 ======================= Grid point 358 (119/155) ======================= q-point: ( 0.60 0.30 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 1.951 -0.217 12.316) 12.472 1.544 ( 1.857 -3.132 2.637) 4.496 1.844 ( -1.439 -3.906 7.773) 8.817 1.911 ( -0.061 -6.454 -9.386) 11.391 2.202 ( 0.660 6.813 5.882) 9.025 2.320 ( -1.717 3.386 -1.983) 4.283 2.519 ( -0.716 5.203 -9.874) 11.184 2.680 ( 0.256 8.789 -4.986) 10.108 2.972 ( 1.241 0.501 1.236) 1.822 3.086 ( -2.775 -0.500 0.104) 2.821 3.215 ( -0.194 -1.048 -2.145) 2.395 3.241 ( -1.282 2.135 -2.800) 3.747 3.999 ( 2.511 2.952 8.982) 9.783 4.259 ( 4.849 -5.801 5.074) 9.105 4.320 ( -3.662 -4.380 3.759) 6.835 4.598 ( -0.668 -5.048 -2.323) 5.597 4.678 ( 0.259 2.745 -0.172) 2.763 4.977 ( 1.203 1.412 10.526) 10.688 5.043 ( 1.330 2.253 -9.695) 10.042 5.721 ( -0.737 0.596 -5.775) 5.853 7.136 ( 0.269 -1.201 4.520) 4.684 7.264 ( -2.893 -2.374 6.869) 7.822 7.798 ( 3.217 1.336 -5.229) 6.283 7.881 ( -1.409 3.723 -10.836) 11.544 8.807 ( 3.931 -5.310 8.454) 10.730 8.860 ( -2.519 1.514 5.370) 6.122 9.219 ( -0.197 0.883 -2.014) 2.208 9.453 ( 2.771 -1.274 -9.902) 10.361 10.101 ( -2.688 -24.838 14.411) 28.841 10.644 ( -0.670 -30.567 -2.948) 30.716 10.818 ( -0.189 -4.480 37.801) 38.066 11.304 ( -0.315 -1.425 17.810) 17.869 11.964 ( 4.980 -9.349 15.794) 19.017 12.027 ( -4.828 -9.560 15.034) 18.459 12.545 ( 1.471 -12.190 1.388) 12.356 12.753 ( -2.975 2.884 -1.472) 4.397 13.174 ( 1.969 9.677 -0.310) 9.880 13.721 ( 4.781 -1.157 12.294) 13.242 13.841 ( -9.349 0.556 0.866) 9.405 15.027 ( 1.412 16.908 3.005) 17.231 15.659 ( -1.051 1.764 -23.769) 23.858 15.992 ( 1.359 8.542 -17.222) 19.272 20.682 ( 0.006 -3.736 -1.591) 4.061 20.776 ( -0.861 0.568 -3.604) 3.749 22.032 ( -0.071 0.449 3.395) 3.425 22.530 ( 1.758 9.125 -12.840) 15.850 23.232 ( -0.187 1.330 12.750) 12.820 23.791 ( -0.041 -0.555 -5.711) 5.738 ======================= Grid point 359 (120/155) ======================= q-point: ( 0.70 0.30 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -0.000 1.054 10.432) 10.485 1.609 ( 0.000 -2.957 2.760) 4.045 1.892 ( 0.000 -2.492 6.311) 6.785 2.010 ( 0.000 -1.486 -5.822) 6.009 2.161 ( 0.000 -4.340 -0.955) 4.444 2.251 ( -0.000 4.734 -6.403) 7.963 2.431 ( -0.000 2.849 -8.053) 8.542 2.546 ( -0.000 5.377 -5.505) 7.695 3.003 ( 0.000 -3.152 -1.143) 3.353 3.084 ( 0.000 -0.414 0.558) 0.695 3.167 ( -0.000 4.667 -1.098) 4.795 3.227 ( 0.000 -0.062 -1.794) 1.795 3.909 ( -0.000 6.362 8.286) 10.447 4.322 ( 0.000 -1.439 1.850) 2.344 4.414 ( 0.000 -5.469 6.394) 8.414 4.613 ( -0.000 4.304 2.352) 4.905 4.675 ( 0.000 -2.438 1.055) 2.656 4.959 ( -0.000 0.675 14.981) 14.996 4.973 ( -0.000 5.442 -11.564) 12.781 5.696 ( -0.000 1.520 -2.858) 3.237 7.184 ( 0.000 -3.404 -0.446) 3.433 7.329 ( 0.000 -5.441 6.911) 8.795 7.773 ( -0.000 2.624 -2.222) 3.439 7.793 ( -0.000 4.928 -16.032) 16.772 8.814 ( -0.000 0.107 7.507) 7.508 8.914 ( 0.000 -3.168 3.530) 4.743 9.174 ( -0.000 3.225 -2.403) 4.022 9.482 ( 0.000 -1.056 -10.690) 10.742 10.536 ( 0.000 -21.078 21.636) 30.207 10.867 ( 0.000 -0.611 34.697) 34.703 11.106 ( 0.000 -18.944 3.839) 19.329 11.309 ( -0.000 1.296 12.675) 12.741 12.048 ( 0.000 -1.860 17.649) 17.746 12.254 ( 0.000 -13.182 17.069) 21.566 12.653 ( -0.000 6.217 6.398) 8.921 12.887 ( 0.000 -22.869 -1.738) 22.935 13.004 ( -0.000 9.174 1.375) 9.277 13.718 ( -0.000 10.161 -8.720) 13.389 13.802 ( 0.000 -6.081 18.123) 19.116 14.762 ( -0.000 11.597 3.021) 11.984 15.626 ( -0.000 1.159 -24.994) 25.020 15.846 ( -0.000 7.331 -20.301) 21.584 20.731 ( 0.000 -1.093 -2.654) 2.871 20.780 ( 0.000 -1.682 -3.372) 3.768 22.026 ( -0.000 0.095 2.936) 2.938 22.387 ( -0.000 6.844 -8.512) 10.922 23.210 ( -0.000 0.896 12.848) 12.879 23.796 ( 0.000 -0.105 -6.269) 6.270 ======================= Grid point 367 (121/155) ======================= q-point: ( 0.40 0.40 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 10.162 -0.000 -2.343) 10.429 1.504 ( 3.990 -0.000 11.479) 12.153 1.712 ( -1.851 0.000 13.755) 13.879 1.769 ( 0.244 -0.000 -7.882) 7.886 2.505 ( -0.947 0.000 -7.906) 7.962 2.572 ( -1.076 0.000 0.124) 1.083 2.794 ( -1.524 0.000 5.239) 5.456 2.947 ( -2.529 0.000 5.777) 6.306 2.972 ( -1.814 0.000 1.303) 2.234 3.014 ( 7.113 -0.000 -1.247) 7.221 3.199 ( -2.780 0.000 -2.255) 3.580 3.364 ( -4.332 0.000 3.268) 5.426 3.555 ( -4.628 0.000 10.155) 11.160 3.846 ( -0.392 0.000 7.459) 7.469 4.276 ( -1.853 0.000 -9.848) 10.020 4.414 ( 0.599 -0.000 -12.520) 12.534 4.836 ( 5.874 -0.000 -5.390) 7.972 4.963 ( 7.105 -0.000 -6.317) 9.508 4.969 ( -1.403 0.000 6.587) 6.735 5.659 ( -2.977 0.000 -12.476) 12.827 7.219 ( 0.911 -0.000 10.598) 10.638 7.358 ( -4.861 0.000 6.578) 8.179 7.755 ( 1.496 -0.000 -4.358) 4.608 7.912 ( 1.930 -0.000 2.324) 3.021 8.413 ( 8.878 -0.000 10.215) 13.534 8.515 ( 4.008 -0.000 -2.075) 4.513 9.140 ( 2.721 -0.000 -1.605) 3.159 9.436 ( 6.674 -0.000 -6.122) 9.057 9.608 ( -10.153 0.000 1.183) 10.222 9.757 ( -12.537 0.000 -3.659) 13.060 10.577 ( -0.228 0.000 47.010) 47.011 11.246 ( 0.779 -0.000 22.521) 22.535 11.435 ( 1.807 -0.000 16.177) 16.278 11.856 ( -4.755 0.000 15.303) 16.025 12.385 ( -0.026 0.000 -11.082) 11.082 12.802 ( -1.261 0.000 -6.222) 6.348 13.516 ( 0.957 -0.000 -19.297) 19.320 13.521 ( 12.892 -0.000 8.850) 15.637 13.957 ( -19.482 0.000 28.670) 34.663 15.653 ( 3.585 -0.000 -8.915) 9.608 15.715 ( -3.316 0.000 -18.994) 19.281 16.233 ( 3.116 -0.000 -10.713) 11.157 20.528 ( -0.763 0.000 3.597) 3.678 20.825 ( -2.660 0.000 -4.872) 5.551 22.056 ( 0.189 -0.000 4.266) 4.270 22.868 ( 6.479 -0.000 -23.139) 24.029 23.287 ( -1.352 0.000 11.133) 11.215 23.737 ( 0.151 -0.000 -3.575) 3.578 ======================= Grid point 368 (122/155) ======================= q-point: ( 0.50 0.40 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 5.755 -1.112 -2.146) 6.242 1.507 ( 0.945 1.475 13.299) 13.414 1.712 ( -0.685 -1.322 12.749) 12.836 1.781 ( -0.221 -1.264 -7.719) 7.825 2.456 ( -0.188 3.587 -4.473) 5.737 2.588 ( 1.648 2.652 -0.705) 3.201 2.629 ( -3.585 9.076 3.947) 10.526 2.956 ( 2.938 0.469 0.912) 3.112 3.005 ( 0.258 0.086 0.375) 0.463 3.057 ( -1.310 -0.989 2.790) 3.237 3.166 ( -0.154 0.906 -3.129) 3.261 3.240 ( -5.864 2.687 0.158) 6.452 3.758 ( 1.654 -16.360 9.674) 19.078 3.906 ( -0.958 -6.215 8.091) 10.247 4.276 ( -0.522 -0.749 -7.687) 7.741 4.439 ( -0.061 -2.491 -11.244) 11.517 4.811 ( 2.768 4.581 -3.821) 6.576 4.969 ( -0.313 -1.086 7.301) 7.388 5.036 ( 3.109 -2.369 -7.809) 8.733 5.668 ( -1.738 -2.338 -11.989) 12.338 7.200 ( -0.080 2.694 12.442) 12.731 7.295 ( -1.899 3.049 5.059) 6.204 7.785 ( 1.106 -2.063 -5.028) 5.546 7.926 ( -0.046 -0.466 -0.127) 0.485 8.433 ( 4.420 -4.726 12.995) 14.517 8.845 ( 3.214 -22.749 0.011) 22.974 9.095 ( 1.159 6.045 -2.080) 6.497 9.458 ( 7.532 1.654 -7.101) 10.483 9.582 ( -8.346 -3.201 1.394) 9.047 9.757 ( -7.590 -9.242 -4.187) 12.671 10.621 ( -0.091 -4.553 45.118) 45.348 11.256 ( 0.265 -0.650 22.042) 22.053 11.518 ( 1.363 -8.002 15.222) 17.251 11.857 ( -2.589 -2.670 15.699) 16.134 12.383 ( -0.044 -0.118 -8.186) 8.187 12.798 ( -0.790 -0.074 -6.006) 6.058 13.465 ( 3.132 5.270 -11.740) 13.244 13.643 ( 10.431 -2.965 2.687) 11.172 13.835 ( -16.368 0.309 27.040) 31.610 15.575 ( 1.753 9.969 -6.330) 11.939 15.696 ( -1.648 0.277 -20.091) 20.160 16.221 ( 1.607 3.094 -11.801) 12.305 20.549 ( -0.341 -2.554 2.508) 3.595 20.806 ( -1.246 0.663 -4.595) 4.807 22.052 ( 0.063 0.449 4.238) 4.262 22.844 ( 3.130 5.928 -22.514) 23.491 23.273 ( -0.648 0.720 12.023) 12.062 23.750 ( 0.034 -1.210 -3.995) 4.175 ======================= Grid point 369 (123/155) ======================= q-point: ( 0.60 0.40 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -0.000 1.659 15.185) 15.276 1.497 ( 0.000 -2.632 -1.101) 2.853 1.761 ( 0.000 -4.132 10.735) 11.503 1.819 ( 0.000 -3.363 -8.361) 9.012 2.376 ( -0.000 11.794 8.809) 14.721 2.385 ( -0.000 4.124 -2.647) 4.901 2.589 ( -0.000 2.383 -7.975) 8.323 2.854 ( -0.000 9.307 -3.779) 10.045 3.002 ( -0.000 2.428 3.989) 4.670 3.053 ( 0.000 -2.260 0.456) 2.306 3.187 ( 0.000 -1.488 -3.446) 3.754 3.237 ( 0.000 -1.935 -2.735) 3.351 4.004 ( 0.000 -3.882 8.949) 9.755 4.065 ( 0.000 -14.831 8.811) 17.250 4.287 ( 0.000 -0.396 -2.204) 2.239 4.502 ( 0.000 -4.460 -7.567) 8.784 4.739 ( -0.000 3.787 -2.173) 4.366 4.987 ( 0.000 -0.546 9.128) 9.144 5.068 ( 0.000 -0.108 -9.952) 9.952 5.705 ( 0.000 -1.875 -9.449) 9.633 7.147 ( -0.000 2.139 9.812) 10.043 7.246 ( -0.000 1.287 6.352) 6.481 7.819 ( 0.000 -0.495 -6.737) 6.755 7.919 ( -0.000 1.183 -4.896) 5.037 8.630 ( 0.000 -12.846 15.637) 20.237 8.962 ( -0.000 7.776 0.183) 7.778 9.166 ( 0.000 -8.593 -1.011) 8.652 9.464 ( -0.000 1.003 -9.056) 9.111 9.704 ( 0.000 -15.533 6.929) 17.008 10.071 ( 0.000 -27.991 -6.236) 28.678 10.720 ( 0.000 -5.886 41.088) 41.507 11.275 ( 0.000 -1.387 20.887) 20.933 11.729 ( 0.000 -13.960 13.344) 19.312 11.914 ( 0.000 -4.206 16.492) 17.020 12.409 ( 0.000 -3.588 -2.142) 4.179 12.786 ( -0.000 1.258 -5.014) 5.169 13.351 ( -0.000 8.434 -6.697) 10.769 13.746 ( -0.000 0.675 35.202) 35.208 13.764 ( 0.000 -3.527 -12.649) 13.131 15.338 ( -0.000 15.925 -0.928) 15.952 15.681 ( -0.000 0.981 -21.946) 21.968 16.138 ( -0.000 6.569 -14.239) 15.681 20.609 ( 0.000 -3.940 0.325) 3.953 20.788 ( -0.000 0.898 -4.138) 4.234 22.042 ( -0.000 0.638 3.906) 3.958 22.709 ( -0.000 9.331 -18.327) 20.566 23.254 ( -0.000 1.148 12.554) 12.607 23.774 ( 0.000 -1.233 -4.869) 5.022 ======================= Grid point 380 (124/155) ======================= q-point: (-0.50 -0.50 0.33) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 0.000 -0.000 -3.316) 3.316 1.532 ( 0.000 -0.000 12.012) 12.012 1.700 ( 0.000 -0.000 14.562) 14.562 1.770 ( 0.000 -0.000 -8.100) 8.100 2.498 ( -0.000 0.000 -8.050) 8.050 2.565 ( 0.000 -0.000 -0.806) 0.806 2.781 ( -0.000 0.000 4.107) 4.107 2.923 ( 0.000 -0.000 6.332) 6.332 2.961 ( -0.000 0.000 1.437) 1.437 3.088 ( 0.000 -0.000 -2.081) 2.081 3.165 ( -0.000 0.000 -2.504) 2.504 3.337 ( 0.000 -0.000 3.090) 3.090 3.522 ( 0.000 -0.000 10.562) 10.562 3.844 ( -0.000 0.000 7.601) 7.601 4.264 ( 0.000 -0.000 -10.373) 10.373 4.417 ( 0.000 -0.000 -12.592) 12.592 4.880 ( -0.000 0.000 -5.245) 5.245 4.955 ( -0.000 0.000 6.771) 6.771 5.011 ( -0.000 0.000 -5.545) 5.545 5.638 ( 0.000 -0.000 -13.021) 13.021 7.231 ( -0.000 0.000 13.920) 13.920 7.320 ( 0.000 -0.000 3.491) 3.491 7.765 ( 0.000 -0.000 -4.174) 4.174 7.923 ( 0.000 -0.000 1.180) 1.180 8.471 ( 0.000 -0.000 12.642) 12.642 8.546 ( -0.000 0.000 1.526) 1.526 9.161 ( 0.000 -0.000 -4.055) 4.055 9.511 ( -0.000 0.000 -8.773) 8.773 9.535 ( -0.000 0.000 1.789) 1.789 9.643 ( 0.000 -0.000 -3.033) 3.033 10.575 ( 0.000 -0.000 47.354) 47.354 11.251 ( 0.000 -0.000 22.132) 22.132 11.448 ( 0.000 -0.000 16.063) 16.063 11.824 ( -0.000 0.000 15.465) 15.465 12.384 ( 0.000 -0.000 -11.004) 11.004 12.794 ( 0.000 -0.000 -6.110) 6.110 13.522 ( -0.000 0.000 -19.145) 19.145 13.674 ( 0.000 -0.000 -6.755) 6.755 13.761 ( -0.000 0.000 45.301) 45.301 15.676 ( -0.000 0.000 -9.219) 9.219 15.693 ( 0.000 -0.000 -19.563) 19.563 16.254 ( 0.000 -0.000 -10.633) 10.633 20.523 ( -0.000 0.000 3.556) 3.556 20.809 ( 0.000 -0.000 -4.660) 4.660 22.057 ( 0.000 -0.000 4.410) 4.410 22.911 ( 0.000 -0.000 -24.695) 24.695 23.277 ( -0.000 0.000 12.042) 12.042 23.738 ( 0.000 -0.000 -3.600) 3.600 ======================= Grid point 428 (125/155) ======================= q-point: ( 0.00 0.00 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.000 0.000 17.124) 17.124 1.218 ( 0.000 0.000 -23.813) 23.813 1.665 ( 0.000 0.000 13.631) 13.631 1.888 ( 0.000 0.000 -7.073) 7.073 2.577 ( 0.000 0.000 1.822) 1.822 2.607 ( 0.000 0.000 -0.144) 0.144 2.717 ( 0.000 0.000 3.626) 3.626 2.778 ( 0.000 0.000 -1.087) 1.087 3.257 ( 0.000 0.000 2.443) 2.443 3.293 ( 0.000 0.000 -0.038) 0.038 3.602 ( 0.000 0.000 13.635) 13.635 3.820 ( 0.000 0.000 -1.380) 1.380 3.862 ( 0.000 0.000 10.795) 10.795 3.993 ( 0.000 0.000 3.074) 3.074 4.213 ( 0.000 0.000 -5.098) 5.098 4.217 ( 0.000 0.000 -9.861) 9.861 4.237 ( 0.000 0.000 -1.556) 1.556 4.367 ( 0.000 0.000 -9.856) 9.856 5.253 ( 0.000 0.000 14.780) 14.780 5.564 ( 0.000 0.000 -13.958) 13.958 7.475 ( 0.000 0.000 -1.168) 1.168 7.477 ( 0.000 0.000 -1.682) 1.682 7.662 ( 0.000 0.000 4.923) 4.923 7.742 ( 0.000 0.000 -2.962) 2.962 7.844 ( 0.000 0.000 12.734) 12.734 8.155 ( 0.000 0.000 -16.398) 16.398 9.183 ( 0.000 0.000 5.920) 5.920 9.287 ( 0.000 0.000 -4.089) 4.089 10.069 ( 0.000 0.000 2.285) 2.285 10.133 ( 0.000 0.000 -3.384) 3.384 11.433 ( 0.000 0.000 31.777) 31.777 11.656 ( 0.000 0.000 11.732) 11.732 11.743 ( 0.000 0.000 18.189) 18.189 12.103 ( 0.000 0.000 -15.945) 15.945 12.459 ( 0.000 0.000 14.058) 14.058 12.714 ( 0.000 0.000 -10.445) 10.445 12.981 ( 0.000 0.000 -10.186) 10.186 13.023 ( 0.000 0.000 -16.229) 16.229 15.297 ( 0.000 0.000 16.126) 16.126 15.409 ( 0.000 0.000 13.868) 13.868 15.632 ( 0.000 0.000 -15.758) 15.758 15.720 ( 0.000 0.000 -15.074) 15.074 20.697 ( 0.000 0.000 7.022) 7.022 20.877 ( 0.000 0.000 -10.363) 10.363 22.109 ( 0.000 0.000 4.009) 4.009 22.207 ( 0.000 0.000 -5.409) 5.409 23.511 ( 0.000 0.000 7.384) 7.384 23.640 ( 0.000 0.000 -5.093) 5.093 ======================= Grid point 429 (126/155) ======================= q-point: ( 0.10 0.00 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 5.666 -8.953 15.115) 18.458 1.281 ( 2.357 -5.657 -21.469) 22.327 1.679 ( 1.317 -0.556 13.540) 13.615 1.904 ( 0.204 -1.667 -7.279) 7.470 2.517 ( -1.413 5.011 3.751) 6.417 2.587 ( -2.660 1.723 -2.533) 4.057 2.708 ( 2.741 2.581 3.445) 5.103 2.772 ( 0.948 1.780 -2.137) 2.938 3.183 ( -1.394 4.817 4.912) 7.020 3.276 ( -2.346 2.014 -3.518) 4.684 3.493 ( -3.573 7.909 14.156) 16.605 3.748 ( -6.655 5.863 -5.688) 10.536 3.876 ( 2.648 -0.450 9.551) 9.922 4.048 ( 1.409 -3.928 -1.986) 4.621 4.175 ( -1.191 -2.208 2.365) 3.447 4.297 ( 2.055 -6.088 0.096) 6.426 4.350 ( 2.639 -7.309 -8.579) 11.575 4.435 ( 2.390 -5.156 -8.461) 10.193 5.280 ( -0.546 -2.571 14.880) 15.110 5.591 ( -1.132 -2.726 -13.916) 14.226 7.463 ( -0.366 0.123 0.804) 0.892 7.493 ( -3.921 -1.823 -1.898) 4.722 7.639 ( 3.701 7.422 6.737) 10.685 7.756 ( 6.022 -2.341 -3.215) 7.217 7.995 ( 1.204 -14.185 9.344) 17.028 8.281 ( 0.916 -15.080 -16.449) 22.334 9.144 ( 0.155 3.923 6.162) 7.306 9.258 ( 0.026 3.093 -4.697) 5.624 10.094 ( -2.541 -4.271 3.561) 6.114 10.177 ( -2.663 -5.752 -4.075) 7.535 11.447 ( -0.012 -1.444 30.467) 30.502 11.663 ( -0.342 -0.743 10.863) 10.894 11.787 ( 0.265 -4.679 17.525) 18.140 12.124 ( -0.022 -2.501 -14.083) 14.303 12.490 ( -3.105 -4.349 13.612) 14.623 12.746 ( -2.321 -3.945 -10.511) 11.464 12.977 ( 3.665 0.308 -6.520) 7.486 13.093 ( 1.981 -5.311 -16.944) 17.867 15.209 ( -7.674 6.147 17.715) 20.261 15.378 ( 5.267 5.781 13.804) 15.866 15.577 ( -4.281 4.193 -17.223) 18.236 15.694 ( 3.496 4.322 -15.551) 16.514 20.691 ( -0.700 0.315 6.188) 6.236 20.854 ( -1.607 1.735 -9.525) 9.814 22.110 ( 0.738 0.222 4.046) 4.119 22.210 ( 2.339 0.646 -5.560) 6.066 23.506 ( -0.094 0.507 7.990) 8.006 23.647 ( -0.008 -0.636 -5.660) 5.696 ======================= Grid point 430 (127/155) ======================= q-point: ( 0.20 0.00 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 6.698 -11.534 12.417) 18.223 1.430 ( 3.222 -8.170 -16.615) 18.794 1.694 ( 1.962 -0.019 13.792) 13.931 1.941 ( 0.227 -1.794 -8.983) 9.163 2.401 ( -0.690 6.694 4.850) 8.295 2.509 ( -2.453 4.753 -5.010) 7.329 2.632 ( -1.289 6.425 2.801) 7.127 2.701 ( -1.146 5.961 -3.223) 6.873 3.112 ( -0.515 2.466 5.042) 5.636 3.216 ( -2.427 2.481 -4.654) 5.806 3.332 ( -1.369 7.008 11.911) 13.887 3.566 ( -7.855 7.878 -7.457) 13.393 3.908 ( 3.666 -0.872 8.987) 9.745 4.100 ( 0.773 -1.726 -8.719) 8.922 4.281 ( 0.798 -7.750 10.824) 13.336 4.447 ( 4.268 -7.223 1.597) 8.540 4.495 ( 1.301 -6.693 -7.884) 10.424 4.547 ( 2.894 -4.921 -6.370) 8.554 5.314 ( -1.032 -1.333 15.273) 15.366 5.621 ( -1.862 -1.261 -13.246) 13.435 7.420 ( -3.737 3.824 7.242) 9.002 7.507 ( -1.630 -1.886 -0.031) 2.493 7.562 ( 2.903 2.474 2.173) 4.390 7.739 ( 3.830 6.088 -11.146) 13.265 8.386 ( 5.626 -23.295 11.748) 26.689 8.664 ( 3.708 -21.849 -14.524) 26.497 9.063 ( 0.590 4.727 6.168) 7.794 9.188 ( 0.504 4.375 -5.703) 7.205 10.221 ( -4.073 -12.837 5.256) 14.457 10.323 ( -4.263 -13.723 -4.488) 15.054 11.478 ( -0.309 -1.837 26.742) 26.807 11.669 ( -0.995 -0.043 8.911) 8.967 11.915 ( 1.089 -8.832 15.876) 18.200 12.200 ( -0.045 -5.974 -10.258) 11.871 12.567 ( -5.010 -6.592 13.335) 15.697 12.812 ( -5.270 -5.759 -9.432) 12.244 13.020 ( 6.063 -1.142 0.030) 6.170 13.216 ( 3.175 -5.834 -17.171) 18.411 15.004 ( -9.897 9.544 20.401) 24.602 15.259 ( 5.955 11.192 14.598) 19.334 15.441 ( -5.528 6.849 -20.707) 22.500 15.603 ( 4.572 8.516 -17.243) 19.767 20.683 ( -0.818 -0.140 4.235) 4.315 20.806 ( -2.096 1.921 -7.492) 8.014 22.109 ( 0.995 0.506 4.065) 4.215 22.210 ( 3.193 1.331 -5.684) 6.654 23.493 ( -0.101 0.897 9.121) 9.166 23.657 ( -0.061 -0.318 -6.751) 6.758 ======================= Grid point 431 (128/155) ======================= q-point: ( 0.30 0.00 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 5.864 -10.603 10.607) 16.103 1.601 ( 3.093 -7.985 -11.955) 14.706 1.707 ( 1.454 -0.197 12.480) 12.566 1.959 ( -0.165 0.067 -10.371) 10.373 2.274 ( 0.249 6.811 5.314) 8.643 2.396 ( -2.451 5.717 -5.300) 8.172 2.490 ( -2.418 6.567 1.617) 7.183 2.568 ( -2.416 6.476 -4.670) 8.342 3.039 ( -4.241 4.821 4.767) 7.997 3.128 ( -2.972 4.809 -3.057) 6.427 3.267 ( 2.063 1.218 4.885) 5.441 3.394 ( -3.773 6.174 -5.420) 9.040 3.957 ( 5.328 -1.433 9.239) 10.761 4.150 ( 1.315 -3.312 -8.352) 9.080 4.408 ( 1.095 -4.733 8.320) 9.634 4.563 ( 1.332 -1.475 -4.713) 5.115 4.607 ( 2.791 -5.277 0.282) 5.976 4.662 ( 2.719 -5.715 -3.505) 7.235 5.317 ( -0.810 0.015 15.963) 15.983 5.613 ( -1.635 0.693 -11.627) 11.761 7.318 ( -1.594 4.455 9.049) 10.211 7.528 ( -2.700 0.534 -7.190) 7.699 7.546 ( 1.546 0.413 2.317) 2.816 7.656 ( 2.015 3.244 -7.884) 8.760 8.784 ( 4.187 -14.457 10.232) 18.200 8.989 ( 1.279 -1.660 1.706) 2.702 9.021 ( 2.176 -7.664 -7.282) 10.793 9.127 ( 1.990 1.894 -6.663) 7.208 10.518 ( -3.196 -21.873 7.929) 23.484 10.646 ( -2.300 -23.420 -4.503) 23.959 11.496 ( -0.922 -0.054 21.428) 21.448 11.643 ( -1.640 2.152 6.715) 7.240 12.112 ( 2.500 -11.167 14.195) 18.233 12.339 ( -0.005 -9.153 -6.431) 11.186 12.658 ( -5.850 -7.300 13.266) 16.233 12.890 ( -6.280 -7.169 -6.340) 11.447 13.070 ( 4.935 0.302 5.288) 7.239 13.325 ( 3.669 -3.113 -16.190) 16.890 14.761 ( -9.931 9.525 22.725) 26.566 15.060 ( 5.809 14.144 16.033) 22.156 15.276 ( -5.193 6.967 -25.013) 26.479 15.451 ( 4.674 11.017 -19.950) 23.264 20.688 ( -0.407 -0.799 2.192) 2.369 20.766 ( -1.722 1.054 -5.186) 5.565 22.104 ( 0.777 0.656 3.959) 4.088 22.202 ( 2.631 1.610 -5.454) 6.266 23.473 ( -0.055 1.105 9.996) 10.057 23.656 ( -0.081 0.294 -7.652) 7.658 ======================= Grid point 432 (129/155) ======================= q-point: ( 0.40 0.00 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 4.421 -7.213 9.064) 12.399 1.704 ( -0.294 -0.060 8.570) 8.575 1.761 ( 2.614 -6.157 -8.572) 10.873 1.933 ( -0.843 2.297 -9.772) 10.074 2.176 ( 1.118 3.687 5.580) 6.781 2.281 ( -3.037 4.662 -2.118) 5.953 2.392 ( -0.097 3.140 -1.220) 3.371 2.457 ( -1.736 3.941 -5.939) 7.336 2.919 ( -3.684 4.140 3.461) 6.534 3.014 ( -3.644 4.872 -4.921) 7.825 3.267 ( 1.740 0.461 1.929) 2.639 3.304 ( -0.736 2.528 -1.509) 3.034 4.024 ( 5.459 -1.772 10.166) 11.675 4.232 ( 2.374 -3.904 -8.708) 9.834 4.460 ( -0.799 -1.325 4.281) 4.552 4.545 ( -0.842 2.639 -4.099) 4.947 4.701 ( 1.715 -3.046 3.532) 4.970 4.762 ( 1.990 -3.075 -2.737) 4.573 5.316 ( -0.141 -0.414 16.188) 16.194 5.589 ( -0.669 0.822 -9.494) 9.553 7.254 ( -0.530 1.767 5.664) 5.957 7.444 ( 0.248 4.922 -11.522) 12.532 7.581 ( -1.072 -2.549 3.007) 4.085 7.643 ( 0.308 0.221 -2.493) 2.522 8.938 ( 0.543 -2.279 6.812) 7.203 9.006 ( 1.770 -2.014 6.154) 6.713 9.062 ( 0.885 1.470 -5.049) 5.333 9.206 ( 1.106 -4.104 -10.918) 11.716 10.924 ( -0.629 -22.088 11.197) 24.772 11.068 ( 0.834 -21.226 -2.918) 21.442 11.448 ( -1.277 5.150 16.290) 17.133 11.562 ( -2.166 5.677 4.172) 7.371 12.320 ( 3.121 -8.360 13.830) 16.460 12.508 ( -0.124 -8.191 -2.904) 8.692 12.766 ( -4.717 -8.629 12.015) 15.526 12.997 ( -4.534 -7.040 -1.580) 8.522 13.061 ( 1.264 1.634 5.672) 6.037 13.354 ( 3.891 2.993 -14.118) 14.947 14.551 ( -7.072 6.955 25.500) 27.361 14.857 ( 4.236 10.443 16.736) 20.176 15.142 ( -3.616 4.192 -29.087) 29.609 15.289 ( 3.586 8.769 -22.702) 24.599 20.703 ( 0.114 -0.893 0.603) 1.083 20.744 ( -1.110 0.418 -3.246) 3.456 22.097 ( 0.382 0.462 3.774) 3.822 22.189 ( 1.400 1.118 -5.039) 5.348 23.455 ( -0.014 0.802 10.466) 10.496 23.648 ( -0.050 0.420 -8.177) 8.188 ======================= Grid point 433 (130/155) ======================= q-point: (-0.50 0.00 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -0.000 0.000 8.204) 8.204 1.680 ( 0.000 -0.000 8.332) 8.332 1.853 ( 0.000 -0.000 -9.591) 9.591 1.885 ( -0.000 0.000 -9.212) 9.212 2.161 ( 0.000 -0.000 4.233) 4.233 2.210 ( -0.000 -0.000 1.896) 1.896 2.369 ( -0.000 -0.000 -2.180) 2.180 2.411 ( 0.000 -0.000 -6.721) 6.721 2.869 ( -0.000 -0.000 1.937) 1.937 2.948 ( 0.000 -0.000 -5.078) 5.078 3.273 ( -0.000 0.000 0.700) 0.700 3.275 ( 0.000 -0.000 0.369) 0.369 4.065 ( 0.000 -0.000 10.904) 10.904 4.286 ( 0.000 -0.000 -8.825) 8.825 4.474 ( 0.000 0.000 0.870) 0.870 4.495 ( -0.000 -0.000 -1.718) 1.718 4.734 ( 0.000 -0.000 3.988) 3.988 4.795 ( 0.000 -0.000 -2.396) 2.396 5.322 ( 0.000 -0.000 15.972) 15.972 5.579 ( 0.000 -0.000 -8.379) 8.379 7.239 ( 0.000 -0.000 3.453) 3.453 7.395 ( 0.000 -0.000 -10.958) 10.958 7.606 ( 0.000 -0.000 1.948) 1.948 7.638 ( 0.000 -0.000 -0.455) 0.455 8.957 ( 0.000 0.000 4.626) 4.626 9.036 ( -0.000 -0.000 7.586) 7.586 9.046 ( 0.000 -0.000 -4.500) 4.500 9.243 ( 0.000 -0.000 -11.202) 11.202 11.238 ( 0.000 -0.000 13.198) 13.198 11.272 ( -0.000 0.000 11.378) 11.378 11.395 ( -0.000 -0.000 2.474) 2.474 11.399 ( 0.000 -0.000 0.700) 0.700 12.411 ( 0.000 -0.000 14.435) 14.435 12.589 ( 0.000 -0.000 -0.891) 0.891 12.883 ( -0.000 -0.000 7.306) 7.306 12.958 ( 0.000 0.000 16.590) 16.590 13.133 ( 0.000 0.000 -10.394) 10.394 13.300 ( -0.000 -0.000 -10.930) 10.930 14.455 ( 0.000 -0.000 27.807) 27.807 14.771 ( 0.000 -0.000 16.314) 16.314 15.091 ( 0.000 0.000 -31.102) 31.102 15.214 ( -0.000 -0.000 -23.739) 23.739 20.715 ( 0.000 -0.000 -0.239) 0.239 20.736 ( -0.000 0.000 -2.240) 2.240 22.094 ( 0.000 -0.000 3.677) 3.677 22.183 ( 0.000 -0.000 -4.832) 4.832 23.447 ( 0.000 -0.000 10.608) 10.608 23.644 ( 0.000 -0.000 -8.345) 8.345 ======================= Grid point 440 (131/155) ======================= q-point: ( 0.10 0.10 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 12.332 -0.000 14.640) 19.141 1.252 ( 5.073 -0.000 -21.168) 21.767 1.684 ( 2.659 -0.000 12.543) 12.822 1.890 ( 0.296 -0.000 -6.110) 6.117 2.555 ( -5.724 0.000 1.175) 5.844 2.570 ( -1.095 0.000 -0.236) 1.120 2.772 ( 6.112 -0.000 2.113) 6.467 2.794 ( 2.493 -0.000 0.406) 2.526 3.222 ( -5.067 0.000 2.699) 5.741 3.267 ( -4.068 0.000 -1.061) 4.204 3.526 ( -9.461 0.000 13.654) 16.612 3.750 ( -9.999 0.000 -3.273) 10.521 3.886 ( 1.835 -0.000 10.619) 10.777 4.001 ( 0.831 -0.000 3.450) 3.549 4.172 ( -2.387 0.000 -5.030) 5.568 4.211 ( -0.620 0.000 -5.763) 5.796 4.337 ( 10.367 -0.000 -5.519) 11.744 4.407 ( 6.499 -0.000 -8.693) 10.854 5.247 ( -0.909 0.000 14.458) 14.487 5.549 ( -2.172 0.000 -13.641) 13.813 7.427 ( -4.588 0.000 2.974) 5.468 7.497 ( 2.779 -0.000 -3.755) 4.672 7.772 ( 11.629 -0.000 3.846) 12.248 7.783 ( 6.148 -0.000 -0.253) 6.153 7.832 ( 0.536 -0.000 10.321) 10.335 8.147 ( -0.814 0.000 -16.624) 16.644 9.184 ( 0.083 -0.000 5.759) 5.760 9.287 ( -0.077 0.000 -4.104) 4.105 10.035 ( -5.316 0.000 2.324) 5.802 10.099 ( -5.290 0.000 -3.398) 6.287 11.433 ( 0.041 -0.000 31.605) 31.605 11.653 ( -0.393 0.000 11.533) 11.540 11.745 ( 0.287 -0.000 18.092) 18.094 12.103 ( 0.038 -0.000 -15.867) 15.868 12.419 ( -5.622 0.000 13.815) 14.915 12.694 ( -2.798 0.000 -11.831) 12.157 13.025 ( 6.322 -0.000 -9.776) 11.642 13.046 ( 3.291 -0.000 -14.484) 14.853 15.203 ( -11.556 0.000 18.926) 22.175 15.471 ( 6.608 -0.000 12.115) 13.799 15.579 ( -6.810 0.000 -17.111) 18.416 15.762 ( 5.034 -0.000 -14.579) 15.423 20.687 ( -1.495 0.000 6.688) 6.853 20.855 ( -3.234 0.000 -9.440) 9.978 22.120 ( 1.519 -0.000 4.668) 4.909 22.240 ( 4.721 -0.000 -6.957) 8.408 23.510 ( -0.236 0.000 7.465) 7.469 23.640 ( 0.021 -0.000 -5.162) 5.162 ======================= Grid point 441 (132/155) ======================= q-point: ( 0.20 0.10 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 13.266 -6.602 12.088) 19.123 1.337 ( 6.153 -4.900 -17.553) 19.234 1.709 ( 3.123 -0.306 12.045) 12.447 1.908 ( 0.233 -1.642 -5.495) 5.740 2.481 ( -3.891 3.638 2.641) 5.946 2.552 ( -2.320 1.692 -3.496) 4.524 2.749 ( 3.068 5.571 3.413) 7.218 2.795 ( 2.343 3.490 -0.901) 4.299 3.148 ( -4.032 2.688 4.128) 6.366 3.221 ( -5.714 1.111 -2.608) 6.379 3.423 ( -6.588 4.565 10.601) 13.290 3.620 ( -12.119 5.372 -4.836) 14.111 3.907 ( 1.457 -1.356 9.195) 9.408 4.067 ( 1.205 -4.162 -2.236) 4.876 4.161 ( -0.714 -3.381 3.958) 5.254 4.307 ( -0.825 -8.600 -6.018) 10.528 4.428 ( 8.688 -2.838 -3.444) 9.767 4.505 ( 8.521 -3.807 -8.376) 12.540 5.266 ( -1.505 -2.447 14.372) 14.657 5.564 ( -2.988 -2.789 -13.395) 14.004 7.421 ( -3.800 -1.507 3.530) 5.401 7.484 ( 1.259 2.302 -1.794) 3.178 7.683 ( 2.276 6.406 8.065) 10.548 7.854 ( 6.041 2.874 -6.888) 9.602 8.053 ( 9.666 -16.819 9.380) 21.548 8.317 ( 5.398 -17.582 -15.128) 23.814 9.147 ( 0.258 3.723 5.873) 6.958 9.258 ( -0.011 2.918 -4.666) 5.503 10.030 ( -7.354 -4.656 3.433) 9.357 10.109 ( -7.734 -5.940 -3.955) 10.523 11.446 ( -0.113 -1.318 30.070) 30.099 11.656 ( -0.819 -0.484 10.608) 10.651 11.793 ( 0.810 -4.977 17.240) 17.962 12.124 ( 0.089 -2.469 -13.548) 13.771 12.423 ( -6.666 -4.600 13.113) 15.413 12.701 ( -4.102 -2.912 -12.321) 13.309 13.049 ( 6.671 0.007 -6.196) 9.104 13.140 ( 5.190 -4.937 -14.475) 16.150 15.070 ( -13.139 5.474 21.378) 25.684 15.457 ( 6.002 6.098 11.199) 14.093 15.497 ( -7.334 3.693 -18.397) 20.146 15.755 ( 5.564 4.504 -15.094) 16.706 20.675 ( -1.698 0.055 5.640) 5.890 20.818 ( -3.643 1.297 -8.079) 8.957 22.127 ( 1.798 0.422 5.159) 5.480 22.263 ( 5.542 1.219 -8.053) 9.852 23.504 ( -0.279 0.450 8.098) 8.115 23.647 ( -0.026 -0.595 -5.749) 5.780 ======================= Grid point 442 (133/155) ======================= q-point: ( 0.30 0.10 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 10.595 -8.836 10.192) 17.153 1.487 ( 5.338 -7.017 -13.236) 15.904 1.726 ( 2.868 0.526 12.526) 12.861 1.941 ( -0.324 -1.689 -6.425) 6.651 2.383 ( -2.023 4.925 3.321) 6.275 2.477 ( -2.259 4.755 -4.851) 7.158 2.609 ( -2.179 8.841 3.592) 9.788 2.690 ( -0.137 7.857 -3.279) 8.515 3.090 ( -2.732 2.607 3.910) 5.436 3.177 ( -3.655 1.479 -4.203) 5.763 3.304 ( -3.175 3.658 7.071) 8.570 3.449 ( -9.667 4.864 -4.519) 11.727 3.960 ( 4.365 -2.332 7.880) 9.305 4.110 ( 1.262 -1.732 -5.832) 6.213 4.303 ( 1.810 -8.600 9.680) 13.074 4.473 ( -1.235 -9.162 -5.153) 10.584 4.535 ( 5.835 -3.765 -0.812) 6.991 4.619 ( 7.851 -2.569 -8.069) 11.547 5.295 ( -1.823 -1.610 14.719) 14.919 5.588 ( -3.165 -1.765 -12.742) 13.247 7.384 ( -1.908 3.529 8.030) 8.976 7.477 ( -1.965 -1.735 0.189) 2.628 7.603 ( 2.364 3.815 2.529) 5.152 7.776 ( 1.518 6.788 -11.060) 13.066 8.494 ( 11.012 -21.198 10.610) 26.138 8.742 ( 8.513 -20.230 -12.786) 25.401 9.071 ( 0.675 4.352 5.926) 7.383 9.195 ( 0.601 3.753 -5.696) 6.848 10.145 ( -7.670 -14.323 5.135) 17.039 10.244 ( -7.930 -15.817 -4.395) 18.231 11.472 ( -0.668 -1.515 26.047) 26.100 11.653 ( -1.443 0.253 8.702) 8.825 11.935 ( 1.992 -9.476 15.347) 18.147 12.201 ( 0.334 -5.965 -8.552) 10.432 12.488 ( -6.798 -6.887 11.979) 15.399 12.741 ( -5.608 -4.736 -10.762) 13.027 13.101 ( 6.149 -0.603 -0.171) 6.181 13.270 ( 5.112 -5.262 -15.001) 16.699 14.855 ( -12.832 8.379 24.091) 28.552 15.330 ( 2.678 10.334 5.229) 11.887 15.363 ( -4.126 7.012 -14.828) 16.913 15.669 ( 5.466 8.823 -16.908) 19.840 20.669 ( -1.192 -0.618 3.653) 3.892 20.772 ( -2.892 1.209 -6.084) 6.844 22.126 ( 1.462 0.885 5.218) 5.491 22.263 ( 4.676 2.393 -8.093) 9.648 23.491 ( -0.205 0.814 9.170) 9.208 23.656 ( -0.100 -0.300 -6.781) 6.789 ======================= Grid point 443 (134/155) ======================= q-point: ( 0.40 0.10 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 7.578 -8.498 8.877) 14.437 1.647 ( 3.910 -6.930 -9.175) 12.145 1.727 ( 1.499 0.779 11.240) 11.366 1.953 ( -0.835 0.233 -7.881) 7.929 2.277 ( 0.142 5.874 4.477) 7.387 2.358 ( -3.052 6.132 -2.618) 7.332 2.456 ( -3.065 5.211 0.370) 6.057 2.543 ( -1.099 7.216 -6.069) 9.492 2.994 ( -2.359 5.287 3.677) 6.859 3.092 ( -2.457 4.881 -4.914) 7.349 3.269 ( -1.861 -0.168 3.098) 3.618 3.332 ( -5.821 2.698 -2.300) 6.815 4.036 ( 6.716 -1.709 8.073) 10.640 4.175 ( 2.964 -3.768 -4.476) 6.559 4.430 ( 1.755 -3.521 6.827) 7.879 4.573 ( -0.300 -1.905 -5.704) 6.021 4.643 ( 2.712 -4.249 1.055) 5.150 4.705 ( 4.274 -3.185 -5.210) 7.454 5.304 ( -1.057 -0.696 15.433) 15.485 5.588 ( -2.032 -0.300 -11.292) 11.477 7.303 ( -0.595 3.853 9.953) 10.689 7.495 ( -2.433 -1.426 -0.513) 2.866 7.563 ( 1.111 2.829 -3.393) 4.555 7.673 ( 0.580 3.763 -8.840) 9.625 8.848 ( 5.581 -10.077 9.484) 14.921 9.008 ( 1.281 0.428 5.597) 5.757 9.061 ( 4.227 -5.844 -9.317) 11.782 9.152 ( 1.923 0.211 -7.362) 7.612 10.467 ( -4.518 -24.768 8.816) 26.676 10.610 ( -3.029 -26.941 -5.085) 27.583 11.481 ( -1.375 0.230 20.634) 20.681 11.620 ( -1.872 2.382 6.546) 7.213 12.153 ( 3.774 -11.884 13.469) 18.355 12.343 ( 0.614 -8.999 -2.689) 9.412 12.581 ( -5.976 -7.924 10.049) 14.124 12.803 ( -7.077 -6.831 -8.192) 12.801 13.129 ( 4.174 1.609 5.978) 7.467 13.378 ( 4.494 -2.662 -15.187) 16.060 14.626 ( -10.872 7.858 26.368) 29.584 15.129 ( 4.650 14.022 13.555) 20.050 15.206 ( -5.363 6.168 -25.475) 26.754 15.513 ( 4.812 11.499 -19.636) 23.259 20.682 ( -0.424 -1.273 1.612) 2.097 20.742 ( -1.832 0.434 -4.019) 4.438 22.115 ( 0.848 1.040 4.835) 5.018 22.239 ( 3.009 2.770 -7.173) 8.257 23.472 ( -0.104 1.038 10.000) 10.054 23.655 ( -0.095 0.271 -7.634) 7.639 ======================= Grid point 444 (135/155) ======================= q-point: ( 0.50 0.10 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 4.391 -5.352 7.830) 10.452 1.700 ( -0.326 1.416 9.637) 9.746 1.794 ( 2.471 -5.423 -8.711) 10.554 1.921 ( -1.015 2.405 -8.466) 8.859 2.196 ( 1.948 3.190 4.592) 5.921 2.238 ( -3.409 4.091 0.609) 5.360 2.378 ( -2.528 1.762 -2.082) 3.719 2.431 ( -1.665 3.670 -6.866) 7.961 2.909 ( 1.912 3.174 2.506) 4.473 2.998 ( 1.105 4.240 -5.167) 6.775 3.255 ( -3.968 0.046 1.049) 4.104 3.274 ( -3.232 0.337 -0.358) 3.269 4.084 ( 3.397 0.761 9.903) 10.497 4.259 ( 1.959 -2.746 -5.621) 6.555 4.469 ( 2.174 -0.456 3.587) 4.219 4.562 ( 3.011 2.878 -5.563) 6.950 4.706 ( -0.909 -2.118 3.388) 4.098 4.774 ( 0.066 -2.178 -3.694) 4.289 5.314 ( -0.160 -0.760 15.949) 15.968 5.581 ( -0.534 0.116 -9.335) 9.351 7.250 ( -0.171 1.618 6.459) 6.661 7.452 ( 0.961 4.865 -11.297) 12.337 7.552 ( -2.901 -2.758 4.216) 5.813 7.655 ( 1.108 0.130 -4.350) 4.490 8.952 ( 1.454 -1.187 7.010) 7.257 9.020 ( 0.370 -1.099 6.532) 6.634 9.077 ( 1.429 2.174 -5.139) 5.760 9.219 ( 0.913 -2.726 -11.085) 11.452 10.916 ( -0.591 -23.866 12.354) 26.880 11.081 ( 1.104 -22.858 -3.640) 23.172 11.429 ( -1.612 4.956 15.510) 16.362 11.534 ( -2.054 5.908 4.186) 7.526 12.363 ( 3.389 -6.596 13.896) 15.751 12.516 ( 1.467 -8.439 1.758) 8.744 12.711 ( -3.736 -9.807 7.145) 12.696 12.915 ( -7.148 -10.941 -7.922) 15.282 13.090 ( 2.253 4.706 11.659) 12.773 13.402 ( 3.573 3.364 -14.623) 15.425 14.457 ( -7.164 3.445 28.221) 29.319 14.910 ( 3.796 11.940 16.378) 20.621 15.091 ( -3.969 2.658 -30.256) 30.631 15.337 ( 3.648 9.981 -22.572) 24.948 20.705 ( 0.041 -1.092 0.072) 1.096 20.731 ( -0.850 -0.135 -2.424) 2.573 22.102 ( 0.306 0.747 4.229) 4.306 22.207 ( 1.326 2.152 -5.891) 6.410 23.455 ( -0.040 0.770 10.465) 10.494 23.648 ( -0.042 0.386 -8.156) 8.165 ======================= Grid point 445 (136/155) ======================= q-point: (-0.40 0.10 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -2.099 3.947 9.442) 10.447 1.702 ( 1.915 -1.234 7.275) 7.623 1.846 ( -0.764 3.773 -10.049) 10.761 1.890 ( 0.613 -2.534 -9.249) 9.609 2.145 ( -1.789 1.317 5.385) 5.825 2.231 ( 2.521 -2.592 0.555) 3.658 2.351 ( -2.670 -0.667 -2.319) 3.600 2.405 ( -0.704 -1.622 -5.688) 5.956 2.912 ( 6.206 -0.421 1.515) 6.402 2.983 ( 5.125 -1.182 -4.598) 6.986 3.230 ( -5.180 -0.895 1.621) 5.501 3.263 ( -3.099 -0.993 -1.181) 3.462 4.042 ( -2.847 3.351 11.076) 11.917 4.269 ( -2.155 1.709 -9.230) 9.631 4.496 ( 4.159 0.256 2.575) 4.898 4.550 ( 6.620 1.149 -2.785) 7.274 4.711 ( -3.479 -0.107 4.187) 5.444 4.779 ( -2.623 0.652 -2.865) 3.939 5.322 ( -0.079 0.018 16.112) 16.112 5.580 ( 0.141 -0.269 -8.397) 8.402 7.240 ( 0.036 -0.335 3.525) 3.541 7.399 ( 0.562 0.649 -11.333) 11.366 7.584 ( -2.230 -1.915 3.965) 4.936 7.657 ( 1.756 0.768 -2.322) 3.011 8.961 ( 0.677 0.690 4.489) 4.592 9.026 ( -1.181 0.525 7.538) 7.648 9.049 ( 0.271 0.890 -3.866) 3.977 9.243 ( -0.025 0.353 -11.481) 11.486 11.239 ( 0.198 7.381 12.766) 14.748 11.275 ( 0.400 -7.323 12.302) 14.322 11.369 ( -2.057 9.893 2.199) 10.341 11.422 ( 1.640 -11.662 0.438) 11.785 12.406 ( -0.652 2.345 14.836) 15.034 12.607 ( 2.472 1.204 -2.358) 3.622 12.861 ( -2.698 -6.824 10.070) 12.460 12.975 ( 2.034 4.328 15.224) 15.957 13.122 ( -1.480 -8.411 -10.442) 13.490 13.306 ( 0.784 6.736 -11.179) 13.075 14.445 ( -1.376 -5.729 27.767) 28.385 14.780 ( 1.132 3.438 16.418) 16.812 15.074 ( -1.969 -3.190 -30.600) 30.829 15.228 ( 1.749 3.184 -24.290) 24.560 20.712 ( -0.307 0.171 0.023) 0.352 20.739 ( 0.417 -0.748 -2.520) 2.662 22.093 ( -0.056 0.220 3.694) 3.701 22.182 ( -0.021 0.922 -4.842) 4.929 23.447 ( -0.018 -0.013 10.623) 10.623 23.644 ( 0.006 -0.031 -8.349) 8.349 ======================= Grid point 446 (137/155) ======================= q-point: (-0.30 0.10 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -2.787 8.433 10.212) 13.533 1.708 ( 0.339 1.790 6.261) 6.521 1.731 ( -1.866 6.243 -7.124) 9.655 1.942 ( 0.445 -1.993 -10.929) 11.118 2.167 ( -0.373 -4.238 6.064) 7.408 2.312 ( 1.795 -4.433 -5.863) 7.567 2.389 ( -0.416 -5.078 1.429) 5.291 2.470 ( 0.326 -5.419 -4.681) 7.168 2.996 ( 7.761 -3.574 4.138) 9.494 3.082 ( 6.071 -3.514 -2.820) 7.561 3.219 ( -5.160 -1.477 1.482) 5.568 3.283 ( -3.788 -5.033 -4.025) 7.475 3.961 ( -3.851 2.566 10.907) 11.848 4.200 ( -2.304 3.310 -11.162) 11.868 4.487 ( 3.091 3.519 5.640) 7.332 4.582 ( 4.439 0.500 -3.036) 5.402 4.666 ( -3.394 2.773 3.256) 5.460 4.722 ( -4.076 2.956 -2.423) 5.588 5.318 ( 0.089 0.089 16.489) 16.489 5.597 ( 0.504 -1.351 -9.635) 9.742 7.261 ( 0.470 -2.202 5.068) 5.545 7.445 ( 0.368 -5.086 -12.093) 13.124 7.577 ( -1.110 1.564 3.783) 4.241 7.650 ( 0.928 1.082 -2.672) 3.029 8.939 ( 0.622 3.370 7.283) 8.049 8.980 ( -2.120 2.507 6.238) 7.050 9.054 ( -0.364 -1.408 -5.088) 5.291 9.193 ( -0.856 5.521 -11.405) 12.699 10.931 ( 0.414 20.800 10.327) 23.226 11.060 ( -0.397 20.057 -2.437) 20.208 11.460 ( 0.623 -5.383 17.065) 17.905 11.586 ( 1.409 -5.534 3.986) 6.964 12.288 ( -1.756 9.065 14.353) 17.066 12.513 ( 0.525 8.883 -6.171) 10.829 12.827 ( 4.642 7.257 14.817) 17.139 12.988 ( -3.498 -2.274 13.903) 14.516 13.097 ( 4.572 7.780 -8.596) 12.462 13.305 ( -3.409 -3.454 -14.745) 15.523 14.630 ( 4.894 -11.729 23.405) 26.633 14.807 ( -3.366 -7.138 17.175) 18.901 15.176 ( 1.557 -7.430 -27.356) 28.389 15.253 ( -1.678 -5.787 -23.603) 24.360 20.702 ( -0.061 0.636 1.109) 1.280 20.757 ( 0.775 -0.831 -4.042) 4.198 22.093 ( -0.280 -0.221 3.424) 3.443 22.173 ( -0.902 -0.227 -4.333) 4.431 23.455 ( -0.004 -0.824 10.495) 10.527 23.649 ( 0.035 -0.448 -8.201) 8.214 ======================= Grid point 447 (138/155) ======================= q-point: (-0.20 0.10 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -2.207 11.865 11.628) 16.758 1.572 ( -1.179 8.530 -13.495) 16.008 1.693 ( -0.585 0.922 13.096) 13.141 1.959 ( -0.034 0.175 -11.672) 11.673 2.271 ( -0.117 -6.932 5.652) 8.945 2.415 ( 0.689 -6.061 -7.453) 9.631 2.516 ( 1.290 -7.568 2.883) 8.201 2.594 ( 1.245 -6.992 -4.077) 8.189 3.086 ( 2.201 -0.836 4.905) 5.441 3.169 ( 3.733 -4.480 1.383) 5.993 3.223 ( -4.314 -3.326 4.587) 7.121 3.428 ( 1.496 -10.300 -9.033) 13.782 3.907 ( -2.146 1.362 10.498) 10.801 4.136 ( -0.739 2.624 -10.902) 11.237 4.409 ( 0.777 6.248 8.764) 10.791 4.544 ( -1.424 5.687 3.542) 6.850 4.583 ( -0.568 3.976 -6.351) 7.514 4.633 ( -1.574 4.648 -3.232) 5.876 5.324 ( 0.302 -0.402 16.284) 16.292 5.628 ( 0.633 -1.229 -11.839) 11.919 7.337 ( 1.047 -5.717 8.626) 10.401 7.525 ( -1.103 2.479 4.182) 4.985 7.565 ( 2.475 -5.291 -11.458) 12.861 7.626 ( -2.241 0.409 -5.880) 6.306 8.746 ( -1.528 16.854 11.112) 20.245 8.983 ( 0.213 0.513 2.093) 2.166 8.999 ( -1.210 11.441 -9.121) 14.682 9.106 ( -0.950 -3.590 -6.088) 7.131 10.546 ( 1.135 20.388 7.475) 21.745 10.666 ( 0.851 21.487 -4.232) 21.917 11.504 ( 0.296 0.205 21.966) 21.969 11.659 ( 0.670 -2.018 6.700) 7.030 12.090 ( -0.879 10.813 14.721) 18.287 12.341 ( 0.102 9.242 -8.142) 12.318 12.718 ( 2.893 7.278 14.974) 16.899 12.959 ( 4.299 5.437 -2.182) 7.267 13.010 ( -4.203 2.096 2.328) 5.242 13.289 ( -1.609 3.177 -17.799) 18.152 14.873 ( 7.113 -10.092 19.587) 23.154 14.984 ( -5.659 -14.418 17.696) 23.517 15.333 ( 3.532 -7.610 -23.117) 24.592 15.398 ( -3.382 -10.775 -20.821) 23.686 20.692 ( 0.173 0.485 2.579) 2.630 20.782 ( 0.720 -1.510 -6.025) 6.253 22.097 ( -0.323 -0.402 3.411) 3.450 22.177 ( -1.055 -0.807 -4.304) 4.505 23.474 ( 0.014 -1.142 10.017) 10.082 23.657 ( 0.032 -0.307 -7.667) 7.673 ======================= Grid point 448 (139/155) ======================= q-point: (-0.10 0.10 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -0.000 12.753 13.341) 18.456 1.409 ( -0.000 8.614 -17.981) 19.938 1.680 ( -0.000 0.246 14.317) 14.319 1.939 ( -0.000 1.845 -9.841) 10.012 2.404 ( 0.000 -7.322 5.497) 9.155 2.527 ( 0.000 -5.376 -5.792) 7.903 2.641 ( 0.000 -4.899 2.962) 5.725 2.710 ( 0.000 -4.901 -3.387) 5.957 3.112 ( 0.000 -2.679 5.804) 6.393 3.233 ( 0.000 -2.752 -5.578) 6.220 3.341 ( 0.000 -8.832 14.761) 17.201 3.623 ( 0.000 -9.657 -9.702) 13.689 3.879 ( -0.000 0.962 10.240) 10.285 4.092 ( -0.000 2.121 -9.468) 9.703 4.282 ( -0.000 7.505 9.359) 11.997 4.413 ( -0.000 7.253 4.644) 8.612 4.483 ( -0.000 6.810 -9.411) 11.616 4.533 ( -0.000 5.820 -5.797) 8.214 5.321 ( -0.000 1.236 15.464) 15.513 5.634 ( -0.000 1.079 -13.442) 13.486 7.475 ( 0.000 -8.316 10.259) 13.206 7.477 ( -0.000 1.670 3.149) 3.565 7.560 ( -0.000 3.161 -4.518) 5.514 7.705 ( 0.000 -5.616 -11.344) 12.658 8.351 ( -0.000 23.613 12.313) 26.630 8.641 ( -0.000 22.192 -15.148) 26.869 9.058 ( 0.000 -4.873 6.261) 7.934 9.184 ( 0.000 -4.633 -5.714) 7.356 10.247 ( -0.000 12.332 5.297) 13.422 10.351 ( -0.000 13.046 -4.541) 13.813 11.480 ( -0.000 1.952 27.006) 27.077 11.676 ( -0.000 0.157 8.926) 8.928 11.908 ( -0.000 8.598 16.115) 18.265 12.200 ( -0.000 5.995 -10.803) 12.355 12.602 ( -0.000 6.484 14.068) 15.490 12.856 ( -0.000 6.655 -9.436) 11.546 12.970 ( -0.000 0.836 0.713) 1.099 13.194 ( -0.000 5.998 -18.445) 19.396 15.083 ( 0.000 -9.966 18.147) 20.703 15.205 ( 0.000 -11.113 16.001) 19.482 15.484 ( 0.000 -7.206 -19.513) 20.801 15.566 ( 0.000 -8.394 -17.745) 19.631 20.688 ( 0.000 -0.054 4.480) 4.480 20.820 ( 0.000 -2.245 -8.135) 8.439 22.102 ( 0.000 -0.353 3.607) 3.624 22.189 ( 0.000 -0.866 -4.663) 4.742 23.493 ( 0.000 -0.927 9.113) 9.160 23.657 ( -0.000 0.327 -6.740) 6.748 ======================= Grid point 451 (140/155) ======================= q-point: ( 0.20 0.20 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 16.674 -0.000 10.256) 19.576 1.339 ( 8.219 -0.000 -15.395) 17.451 1.725 ( 3.436 -0.000 10.361) 10.916 1.894 ( 0.170 -0.000 -3.616) 3.620 2.486 ( -4.642 0.000 1.486) 4.874 2.552 ( -1.629 0.000 -3.712) 4.053 2.840 ( 4.741 -0.000 2.215) 5.233 2.846 ( 5.092 -0.000 1.552) 5.323 3.140 ( -7.260 0.000 2.738) 7.759 3.186 ( -8.544 0.000 -1.731) 8.718 3.406 ( -8.531 0.000 11.400) 14.239 3.594 ( -13.387 0.000 -4.652) 14.173 3.884 ( -1.944 0.000 10.653) 10.829 4.007 ( 0.131 -0.000 4.490) 4.491 4.152 ( -1.148 0.000 -7.700) 7.785 4.191 ( -2.421 0.000 -6.321) 6.769 4.484 ( 12.295 -0.000 -3.735) 12.850 4.530 ( 11.905 -0.000 -6.837) 13.729 5.230 ( -1.676 0.000 13.580) 13.683 5.511 ( -3.578 0.000 -12.874) 13.362 7.386 ( -1.588 0.000 6.604) 6.792 7.536 ( 3.015 -0.000 -7.278) 7.878 7.761 ( -5.283 0.000 13.375) 14.381 7.876 ( 6.386 -0.000 2.519) 6.865 8.019 ( 20.004 -0.000 -1.095) 20.034 8.159 ( 4.588 -0.000 -14.785) 15.480 9.184 ( -0.116 0.000 5.328) 5.329 9.285 ( -0.166 0.000 -4.251) 4.255 9.936 ( -9.921 0.000 2.365) 10.199 10.000 ( -9.989 0.000 -3.455) 10.569 11.433 ( -0.046 0.000 31.126) 31.126 11.647 ( -0.644 0.000 10.956) 10.975 11.752 ( 0.812 -0.000 17.818) 17.836 12.105 ( 0.242 -0.000 -15.601) 15.603 12.333 ( -7.182 0.000 14.277) 15.981 12.653 ( -3.383 0.000 -14.164) 14.562 13.097 ( 4.450 -0.000 -11.122) 11.979 13.127 ( 9.026 -0.000 -10.001) 13.472 15.029 ( -15.160 0.000 23.165) 27.685 15.474 ( -9.202 0.000 -19.657) 21.705 15.556 ( 6.478 -0.000 10.734) 12.538 15.834 ( 5.987 -0.000 -14.338) 15.538 20.662 ( -2.174 0.000 5.934) 6.320 20.804 ( -4.276 0.000 -7.581) 8.704 22.145 ( 2.228 -0.000 6.263) 6.647 22.316 ( 6.629 -0.000 -10.405) 12.337 23.505 ( -0.439 0.000 7.711) 7.724 23.641 ( 0.020 -0.000 -5.349) 5.349 ======================= Grid point 452 (141/155) ======================= q-point: ( 0.30 0.20 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 14.703 -4.115 8.581) 17.514 1.429 ( 7.866 -3.723 -12.353) 15.111 1.750 ( 2.993 -0.182 10.240) 10.670 1.907 ( -0.398 -1.384 -2.449) 2.841 2.433 ( -3.182 2.716 1.720) 4.523 2.525 ( -2.025 1.996 -5.589) 6.271 2.780 ( 1.409 8.960 4.202) 9.996 2.828 ( 2.965 5.553 -0.413) 6.309 3.088 ( -4.701 0.011 3.376) 5.788 3.142 ( -6.108 -1.221 -2.086) 6.569 3.334 ( -7.348 2.608 6.088) 9.892 3.459 ( -12.365 4.230 -3.916) 13.643 3.916 ( 0.496 -4.059 9.313) 10.171 4.079 ( 0.668 -4.839 -1.138) 5.016 4.150 ( -1.131 -4.568 1.115) 4.836 4.282 ( -2.890 -9.060 -7.014) 11.817 4.555 ( 10.767 -0.021 -1.124) 10.826 4.638 ( 11.456 -2.222 -7.852) 14.065 5.242 ( -2.239 -2.266 13.439) 13.811 5.518 ( -4.046 -2.831 -12.608) 13.540 7.391 ( -0.885 -0.786 6.586) 6.691 7.504 ( 1.734 4.042 -1.261) 4.576 7.685 ( -1.865 3.729 7.001) 8.148 7.883 ( -0.709 3.826 -7.300) 8.273 8.240 ( 17.837 -13.911 6.752) 23.606 8.436 ( 13.258 -19.112 -11.422) 25.914 9.149 ( -0.133 3.424 5.413) 6.407 9.257 ( -0.073 2.705 -4.821) 5.528 9.910 ( -11.077 -5.319 3.083) 12.669 9.983 ( -11.804 -6.270 -3.768) 13.887 11.444 ( -0.292 -1.095 29.384) 29.406 11.644 ( -0.935 -0.147 10.016) 10.061 11.808 ( 1.417 -5.394 16.829) 17.729 12.128 ( 0.467 -2.516 -12.390) 12.651 12.334 ( -6.926 -4.710 13.184) 15.620 12.650 ( -3.685 -2.030 -14.186) 14.797 13.129 ( 5.475 -0.464 -6.054) 8.176 13.223 ( 7.620 -3.695 -12.479) 15.082 14.886 ( -15.072 4.602 25.683) 30.132 15.385 ( -8.938 3.139 -21.956) 23.912 15.539 ( 5.860 6.194 11.130) 14.020 15.829 ( 5.750 4.694 -15.015) 16.749 20.651 ( -1.857 -0.323 4.901) 5.251 20.770 ( -3.638 0.760 -6.375) 7.379 22.152 ( 1.990 0.713 6.804) 7.124 22.339 ( 5.946 1.950 -11.409) 13.012 23.499 ( -0.412 0.352 8.329) 8.347 23.646 ( -0.043 -0.536 -5.900) 5.924 ======================= Grid point 453 (142/155) ======================= q-point: ( 0.40 0.20 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 10.773 -6.200 7.602) 14.570 1.560 ( 5.785 -5.546 -9.434) 12.379 1.760 ( 2.080 1.078 11.243) 11.485 1.931 ( -1.290 -1.586 -2.821) 3.484 2.357 ( -1.759 3.790 1.613) 4.479 2.450 ( -2.006 4.689 -6.209) 8.035 2.583 ( -1.694 10.852 5.953) 12.493 2.700 ( 1.492 9.198 -4.562) 10.375 3.055 ( -2.216 2.456 2.686) 4.261 3.128 ( -3.616 0.758 -3.894) 5.368 3.245 ( -6.028 0.763 3.875) 7.207 3.328 ( -9.054 2.315 -2.971) 9.807 4.023 ( 5.624 -4.736 6.988) 10.144 4.140 ( 3.470 -2.561 -3.774) 5.731 4.309 ( -1.228 -9.975 6.911) 12.197 4.438 ( -3.792 -9.482 -5.163) 11.443 4.622 ( 7.165 -0.824 0.883) 7.266 4.730 ( 8.819 -0.480 -8.625) 12.344 5.269 ( -2.183 -2.074 13.891) 14.214 5.544 ( -3.581 -2.534 -12.137) 12.906 7.373 ( 0.148 3.062 9.552) 10.032 7.460 ( -0.954 0.465 5.077) 5.186 7.619 ( 0.454 2.677 -2.363) 3.600 7.776 ( -1.368 6.384 -11.506) 13.229 8.656 ( 13.668 -16.887 10.143) 23.977 8.876 ( 11.719 -16.417 -10.158) 22.584 9.078 ( 0.278 3.591 5.292) 6.401 9.202 ( 0.537 3.090 -5.963) 6.737 10.031 ( -9.908 -16.678 5.030) 20.040 10.127 ( -9.833 -19.431 -4.436) 22.225 11.462 ( -0.820 -1.095 25.206) 25.243 11.634 ( -1.352 0.600 8.258) 8.389 11.965 ( 2.594 -10.356 14.692) 18.161 12.210 ( 1.112 -6.081 -5.631) 8.362 12.401 ( -6.576 -7.133 10.354) 14.189 12.674 ( -4.569 -3.432 -12.038) 13.326 13.170 ( 4.493 -0.030 -0.179) 4.496 13.342 ( 6.000 -4.199 -14.176) 15.955 14.688 ( -12.794 6.866 28.305) 31.812 15.258 ( -7.052 4.885 -25.420) 26.828 15.409 ( 4.714 11.593 12.754) 17.869 15.736 ( 4.874 9.157 -16.913) 19.841 20.655 ( -1.048 -1.151 3.041) 3.417 20.737 ( -2.392 0.533 -4.758) 5.352 22.144 ( 1.307 1.310 6.548) 6.805 22.321 ( 4.183 3.471 -10.661) 11.967 23.488 ( -0.260 0.699 9.293) 9.323 23.654 ( -0.099 -0.282 -6.828) 6.835 ======================= Grid point 454 (143/155) ======================= q-point: ( 0.50 0.20 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 6.748 -6.261 6.870) 11.486 1.695 ( 3.376 -5.342 -5.394) 8.309 1.741 ( 0.605 1.185 9.196) 9.292 1.938 ( -1.327 0.077 -4.960) 5.135 2.275 ( -0.498 4.174 2.263) 4.774 2.329 ( -0.977 7.282 -1.633) 7.526 2.413 ( -3.441 5.329 1.516) 6.522 2.539 ( 0.124 8.442 -7.353) 11.196 2.985 ( 0.942 3.698 3.029) 4.872 3.075 ( 0.070 2.861 -4.465) 5.303 3.222 ( -5.169 -0.706 0.690) 5.262 3.250 ( -6.700 0.817 -1.296) 6.873 4.121 ( 6.215 -0.808 7.582) 9.837 4.227 ( 4.950 -3.285 -2.147) 6.317 4.439 ( -0.728 -4.951 5.463) 7.408 4.551 ( -2.701 -5.018 -4.542) 7.287 4.673 ( 2.046 -1.376 1.556) 2.916 4.768 ( 5.071 0.896 -7.754) 9.308 5.291 ( -0.952 -1.549 14.882) 14.993 5.563 ( -1.739 -1.499 -10.949) 11.187 7.304 ( 0.594 4.072 11.135) 11.871 7.464 ( -2.406 -2.027 6.256) 7.002 7.578 ( 1.486 4.298 -9.755) 10.763 7.670 ( -1.015 2.583 -9.882) 10.264 8.919 ( 5.296 -4.980 9.320) 11.820 9.018 ( 0.179 0.554 6.949) 6.973 9.117 ( 3.598 -1.126 -7.647) 8.526 9.179 ( 2.468 -1.368 -9.503) 9.913 10.409 ( -4.286 -28.551 9.974) 30.545 10.573 ( -2.659 -31.053 -5.870) 31.714 11.463 ( -1.239 0.566 19.946) 19.993 11.598 ( -1.452 2.600 6.241) 6.916 12.206 ( 4.319 -12.990 12.801) 18.742 12.354 ( 0.872 -8.396 4.351) 9.497 12.512 ( -4.482 -9.557 3.701) 11.186 12.716 ( -6.240 -5.146 -8.936) 12.053 13.173 ( 2.633 2.489 6.247) 7.222 13.435 ( 4.223 -1.856 -15.778) 16.439 14.495 ( -9.082 6.044 30.351) 32.251 15.129 ( -4.148 5.031 -27.348) 28.115 15.192 ( 3.034 14.279 13.173) 19.663 15.568 ( 3.612 11.885 -19.634) 23.233 20.677 ( -0.302 -1.695 1.098) 2.042 20.722 ( -1.255 -0.083 -3.055) 3.304 22.124 ( 0.608 1.399 5.687) 5.888 22.274 ( 2.262 3.790 -8.748) 9.799 23.471 ( -0.115 0.961 10.052) 10.099 23.654 ( -0.071 0.246 -7.624) 7.628 ======================= Grid point 455 (144/155) ======================= q-point: ( 0.60 0.20 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 2.874 -2.735 7.615) 8.587 1.696 ( -0.387 1.568 9.407) 9.545 1.821 ( 1.559 -4.712 -8.433) 9.785 1.909 ( -0.760 2.285 -7.704) 8.071 2.193 ( -2.387 4.780 2.281) 5.810 2.232 ( 2.791 1.761 3.580) 4.869 2.332 ( -4.198 1.404 -2.330) 5.002 2.420 ( -0.338 3.943 -6.914) 7.966 2.957 ( 4.911 1.132 1.968) 5.410 3.037 ( 4.497 2.664 -4.603) 6.965 3.182 ( -6.436 -0.017 1.280) 6.562 3.222 ( -4.727 -0.896 -1.759) 5.123 4.109 ( 0.732 4.346 10.260) 11.166 4.283 ( 1.546 0.274 -4.976) 5.218 4.509 ( 3.516 -2.598 4.234) 6.086 4.605 ( 3.224 -1.386 -4.572) 5.764 4.683 ( -2.325 0.288 2.793) 3.645 4.767 ( -0.889 0.763 -5.896) 6.011 5.312 ( -0.119 -1.004 15.856) 15.889 5.576 ( -0.289 -0.513 -9.209) 9.228 7.250 ( 0.133 1.824 7.105) 7.337 7.466 ( 1.184 4.779 -10.907) 11.967 7.516 ( -2.488 -2.644 5.311) 6.433 7.666 ( 0.581 -0.628 -6.418) 6.475 8.974 ( 1.888 -0.384 7.631) 7.871 9.016 ( -0.945 -0.165 6.816) 6.883 9.094 ( 0.990 2.890 -4.741) 5.640 9.229 ( 0.567 -1.629 -11.874) 11.999 10.909 ( -0.353 -25.475 13.367) 28.771 11.094 ( 0.842 -24.415 -4.375) 24.819 11.410 ( -1.159 4.985 15.057) 15.903 11.512 ( -1.240 6.121 4.064) 7.451 12.400 ( 2.090 -3.460 15.301) 15.826 12.544 ( 2.545 -11.855 7.793) 14.414 12.676 ( -1.455 -7.414 -0.604) 7.579 12.826 ( -6.280 -14.218 -8.367) 17.652 13.112 ( 1.172 5.403 12.370) 13.549 13.441 ( 2.335 4.083 -15.782) 16.468 14.379 ( -4.662 0.967 30.821) 31.186 14.949 ( 2.278 12.559 16.215) 20.636 15.047 ( -2.609 1.854 -31.154) 31.318 15.376 ( 2.220 10.490 -22.604) 25.019 20.704 ( -0.139 -1.000 -0.145) 1.020 20.724 ( -0.273 -0.786 -2.019) 2.184 22.105 ( 0.155 0.971 4.609) 4.713 22.221 ( 0.784 2.939 -6.564) 7.235 23.454 ( -0.038 0.740 10.495) 10.521 23.647 ( -0.022 0.357 -8.145) 8.152 ======================= Grid point 456 (145/155) ======================= q-point: (-0.30 0.20 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -0.860 4.887 10.286) 11.420 1.720 ( 0.767 -0.544 6.802) 6.867 1.838 ( -0.430 5.189 -10.733) 11.930 1.897 ( 0.313 -3.052 -9.456) 9.941 2.127 ( -0.785 0.528 6.552) 6.620 2.267 ( 3.027 -2.308 -1.993) 4.297 2.310 ( -3.371 -2.149 -0.808) 4.079 2.398 ( -0.292 -1.644 -4.829) 5.109 3.004 ( 6.546 -1.473 1.101) 6.799 3.063 ( 6.331 -2.793 -3.667) 7.831 3.151 ( -6.416 -0.979 1.770) 6.727 3.205 ( -4.784 -0.565 -2.572) 5.461 4.011 ( -1.509 4.944 11.434) 12.548 4.245 ( -1.117 3.074 -9.578) 10.121 4.567 ( 6.231 1.211 3.883) 7.441 4.637 ( 3.334 1.068 -0.267) 3.511 4.656 ( -1.777 -0.385 1.420) 2.307 4.727 ( -5.366 1.344 -3.749) 6.682 5.321 ( -0.045 0.021 16.330) 16.330 5.582 ( 0.087 -0.454 -8.424) 8.436 7.240 ( 0.027 -0.496 3.637) 3.671 7.406 ( 0.384 1.020 -12.136) 12.185 7.562 ( -1.020 -2.351 6.101) 6.618 7.673 ( 0.684 0.482 -4.016) 4.102 8.972 ( 0.784 1.290 3.456) 3.771 9.010 ( -1.017 0.556 9.556) 9.626 9.052 ( 0.089 1.535 -4.122) 4.399 9.243 ( -0.014 0.591 -11.935) 11.950 11.242 ( 0.116 12.294 12.002) 17.182 11.280 ( 0.368 -13.800 14.473) 20.001 11.348 ( -0.985 11.298 1.479) 11.437 11.437 ( 0.612 -12.562 -0.323) 12.581 12.399 ( -0.331 3.537 15.449) 15.852 12.638 ( 1.780 3.556 -5.853) 7.076 12.829 ( -1.726 -10.439 13.927) 17.491 12.998 ( 1.200 6.484 15.628) 16.962 13.103 ( -1.077 -13.975 -11.426) 18.084 13.315 ( 0.440 9.852 -11.518) 15.163 14.429 ( -0.793 -8.742 27.749) 29.105 14.793 ( 0.643 5.020 16.554) 17.310 15.053 ( -0.988 -4.121 -30.276) 30.571 15.247 ( 0.850 4.103 -24.707) 25.060 20.709 ( -0.141 0.123 0.354) 0.400 20.743 ( 0.209 -1.058 -2.880) 3.076 22.093 ( -0.035 0.360 3.720) 3.737 22.182 ( -0.013 1.491 -4.858) 5.082 23.447 ( -0.011 -0.021 10.649) 10.649 23.644 ( 0.004 -0.051 -8.356) 8.356 ======================= Grid point 457 (146/155) ======================= q-point: (-0.20 0.20 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.000 8.858 10.667) 13.865 1.713 ( -0.000 1.159 9.998) 10.065 1.716 ( -0.000 7.542 -11.200) 13.503 1.945 ( 0.000 -1.830 -11.368) 11.514 2.165 ( 0.000 -4.437 6.179) 7.607 2.324 ( 0.000 -3.783 -8.421) 9.232 2.386 ( 0.000 -6.531 3.623) 7.468 2.471 ( 0.000 -6.122 -4.072) 7.353 3.085 ( 0.000 -4.700 6.020) 7.638 3.110 ( -0.000 1.089 3.210) 3.390 3.184 ( 0.000 -0.021 -3.340) 3.340 3.235 ( 0.000 -10.220 -7.417) 12.628 3.935 ( -0.000 2.696 11.276) 11.594 4.184 ( -0.000 2.984 -11.678) 12.054 4.516 ( -0.000 5.101 6.415) 8.195 4.627 ( -0.000 2.672 4.057) 4.858 4.641 ( -0.000 2.835 -5.774) 6.433 4.675 ( -0.000 1.242 -0.718) 1.434 5.318 ( 0.000 -0.044 16.629) 16.629 5.600 ( 0.000 -1.546 -9.693) 9.815 7.265 ( 0.000 -2.448 4.858) 5.440 7.449 ( 0.000 -5.285 -12.748) 13.800 7.568 ( -0.000 1.485 4.926) 5.145 7.657 ( -0.000 1.533 -3.237) 3.582 8.951 ( -0.000 6.469 10.466) 12.304 8.958 ( -0.000 0.001 3.543) 3.543 9.052 ( 0.000 -1.567 -5.134) 5.368 9.187 ( -0.000 6.196 -11.762) 13.294 10.933 ( -0.000 20.340 10.009) 22.669 11.058 ( -0.000 19.636 -2.272) 19.767 11.464 ( 0.000 -5.474 17.390) 18.232 11.595 ( 0.000 -5.496 3.866) 6.720 12.277 ( -0.000 9.260 14.633) 17.317 12.517 ( -0.000 9.246 -7.359) 11.817 12.866 ( -0.000 7.759 16.050) 17.827 12.956 ( 0.000 -3.754 14.126) 14.616 13.132 ( -0.000 9.119 -7.764) 11.977 13.279 ( 0.000 -4.547 -15.888) 16.526 14.665 ( 0.000 -15.955 22.595) 27.661 14.782 ( 0.000 -3.447 17.394) 17.732 15.184 ( 0.000 -10.005 -25.897) 27.762 15.244 ( 0.000 -3.307 -24.751) 24.971 20.702 ( -0.000 0.529 1.312) 1.414 20.762 ( 0.000 -0.994 -4.369) 4.481 22.091 ( 0.000 -0.125 3.296) 3.299 22.167 ( -0.000 0.127 -4.059) 4.061 23.455 ( 0.000 -0.831 10.512) 10.545 23.649 ( 0.000 -0.458 -8.212) 8.225 ======================= Grid point 462 (147/155) ======================= q-point: ( 0.30 0.30 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 14.743 -0.000 6.832) 16.249 1.451 ( 8.842 -0.000 -10.206) 13.504 1.762 ( 1.945 -0.000 8.855) 9.066 1.893 ( -0.258 0.000 -0.872) 0.910 2.440 ( -2.637 0.000 1.232) 2.911 2.531 ( -1.561 0.000 -5.452) 5.672 2.889 ( 0.932 -0.000 2.571) 2.735 2.911 ( 5.891 -0.000 1.140) 6.000 3.052 ( -5.528 0.000 1.621) 5.761 3.066 ( -8.917 0.000 -0.561) 8.935 3.310 ( -6.737 0.000 6.438) 9.319 3.433 ( -10.925 0.000 -4.660) 11.878 3.849 ( -3.090 0.000 12.199) 12.584 4.004 ( -0.561 0.000 5.560) 5.588 4.139 ( -0.924 0.000 -11.791) 11.827 4.153 ( -3.238 0.000 -6.126) 6.929 4.640 ( 11.596 -0.000 -1.694) 11.719 4.691 ( 12.486 -0.000 -5.935) 13.824 5.204 ( -2.375 0.000 12.385) 12.611 5.461 ( -4.195 0.000 -12.053) 12.762 7.385 ( 1.227 -0.000 8.562) 8.650 7.573 ( 2.700 -0.000 -8.974) 9.371 7.684 ( -6.477 0.000 13.902) 15.336 7.903 ( -1.693 0.000 -3.983) 4.328 8.284 ( 20.515 -0.000 -1.074) 20.543 8.295 ( 15.429 -0.000 -5.101) 16.250 9.179 ( -0.779 0.000 4.750) 4.813 9.284 ( 0.074 -0.000 -4.995) 4.996 9.789 ( -12.446 0.000 2.216) 12.641 9.850 ( -13.010 0.000 -3.463) 13.463 11.432 ( -0.179 0.000 30.475) 30.475 11.638 ( -0.643 0.000 10.151) 10.171 11.766 ( 1.368 -0.000 17.391) 17.445 12.109 ( 0.477 -0.000 -15.143) 15.151 12.246 ( -6.153 0.000 15.710) 16.872 12.613 ( -2.650 0.000 -15.969) 16.187 13.153 ( 4.059 -0.000 -7.845) 8.833 13.246 ( 9.178 -0.000 -11.807) 14.954 14.829 ( -15.295 0.000 27.793) 31.724 15.354 ( -9.045 0.000 -22.647) 24.386 15.633 ( 5.342 -0.000 10.209) 11.522 15.908 ( 5.367 -0.000 -14.363) 15.333 20.635 ( -1.909 0.000 5.200) 5.539 20.754 ( -3.410 0.000 -6.029) 6.927 22.172 ( 1.981 -0.000 8.016) 8.257 22.397 ( 5.710 -0.000 -13.844) 14.975 23.499 ( -0.513 0.000 8.091) 8.108 23.641 ( 0.002 -0.000 -5.587) 5.587 ======================= Grid point 463 (148/155) ======================= q-point: ( 0.40 0.30 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 11.453 -2.567 5.937) 13.154 1.529 ( 7.265 -2.488 -8.467) 11.431 1.777 ( 0.914 -0.377 9.291) 9.344 1.899 ( -0.780 -0.856 0.335) 1.205 2.403 ( -1.554 2.366 1.017) 3.008 2.501 ( -1.545 2.295 -6.281) 6.863 2.778 ( -1.444 9.888 5.338) 11.329 2.868 ( 2.522 6.939 -2.908) 7.936 3.044 ( -1.566 -1.962 2.566) 3.590 3.080 ( -2.942 -3.021 -1.472) 4.466 3.234 ( -7.814 3.009 3.441) 9.053 3.317 ( -9.625 3.709 -3.399) 10.860 3.929 ( 1.649 -8.083 9.519) 12.596 4.079 ( -0.961 -7.376 4.121) 8.503 4.138 ( -0.274 -3.561 -5.278) 6.373 4.240 ( -3.493 -8.527 -8.001) 12.204 4.688 ( 9.378 1.664 0.551) 9.541 4.779 ( 9.870 -0.765 -7.303) 12.302 5.211 ( -2.584 -2.213 12.317) 12.778 5.464 ( -4.083 -2.918 -11.905) 12.919 7.396 ( 1.482 0.099 8.484) 8.613 7.523 ( 0.947 4.934 4.373) 6.661 7.649 ( -3.004 0.790 0.975) 3.255 7.855 ( -2.979 3.512 -9.013) 10.121 8.475 ( 17.741 -11.825 7.168) 22.494 8.632 ( 15.932 -18.093 -7.511) 25.251 9.141 ( -1.297 3.171 4.960) 6.028 9.259 ( 0.488 2.610 -5.948) 6.514 9.758 ( -12.058 -5.887 2.488) 13.647 9.819 ( -12.980 -6.753 -3.455) 15.034 11.439 ( -0.340 -0.866 28.668) 28.684 11.633 ( -0.738 0.149 9.316) 9.347 11.828 ( 1.698 -5.807 16.290) 17.378 12.136 ( 0.901 -2.811 -10.798) 11.194 12.253 ( -5.496 -4.446 13.584) 15.313 12.610 ( -2.453 -1.360 -15.543) 15.794 13.187 ( 3.536 -0.839 -4.738) 5.972 13.323 ( 7.420 -2.310 -13.520) 15.594 14.702 ( -12.896 3.676 30.297) 33.132 15.278 ( -7.292 2.412 -24.859) 26.018 15.605 ( 4.192 6.421 10.984) 13.396 15.895 ( 4.325 4.873 -15.103) 16.448 20.630 ( -1.331 -0.653 4.316) 4.563 20.730 ( -2.412 0.365 -5.190) 5.734 22.175 ( 1.445 0.970 8.284) 8.465 22.406 ( 4.254 2.518 -14.203) 15.039 23.494 ( -0.393 0.248 8.639) 8.651 23.646 ( -0.042 -0.485 -6.060) 6.080 ======================= Grid point 464 (149/155) ======================= q-point: ( 0.50 0.30 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 7.071 -4.489 5.396) 9.963 1.627 ( 4.401 -4.143 -7.037) 9.276 1.773 ( 0.019 1.242 11.019) 11.089 1.913 ( -1.174 -1.374 -0.001) 1.808 2.341 ( -0.717 3.481 0.249) 3.563 2.428 ( -1.326 4.542 -7.075) 8.511 2.567 ( -0.781 11.699 8.036) 14.214 2.722 ( 1.547 10.262 -6.461) 12.225 3.044 ( 0.780 1.865 2.154) 2.954 3.096 ( -1.103 0.384 -2.105) 2.408 3.162 ( -6.006 -1.389 1.576) 6.363 3.221 ( -7.581 0.995 -3.216) 8.295 4.101 ( 6.391 -6.420 6.152) 10.950 4.192 ( 4.007 -4.572 -1.291) 6.216 4.274 ( -3.828 -10.149 4.048) 11.578 4.383 ( -4.447 -9.398 -5.740) 11.877 4.703 ( 5.045 1.721 2.405) 5.848 4.828 ( 5.911 1.008 -8.729) 10.590 5.243 ( -1.719 -2.698 13.080) 13.466 5.503 ( -2.631 -3.434 -11.668) 12.445 7.386 ( 1.876 2.768 11.217) 11.705 7.445 ( -1.666 2.572 10.818) 11.244 7.624 ( 0.556 0.677 -8.314) 8.360 7.749 ( -2.344 5.912 -12.422) 13.955 8.823 ( 11.500 -12.004 10.549) 19.688 9.008 ( 6.822 -7.507 -2.677) 10.491 9.080 ( 0.430 -0.808 0.797) 1.213 9.215 ( 1.815 2.497 -8.151) 8.715 9.906 ( -8.672 -19.828 5.392) 22.303 10.010 ( -7.616 -23.935 -4.797) 25.571 11.453 ( -0.556 -0.753 24.563) 24.581 11.620 ( -0.823 0.865 7.844) 7.934 11.997 ( 2.170 -11.228 13.909) 18.007 12.230 ( 2.092 -6.362 -1.498) 6.863 12.324 ( -5.378 -7.078 7.877) 11.877 12.628 ( -2.598 -2.213 -12.935) 13.377 13.214 ( 2.312 0.318 0.282) 2.350 13.413 ( 4.571 -3.041 -15.451) 16.397 14.546 ( -8.518 5.504 32.534) 34.078 15.182 ( -4.444 3.849 -27.923) 28.536 15.458 ( 2.702 11.900 13.005) 17.834 15.787 ( 2.862 9.415 -17.020) 19.660 20.644 ( -0.584 -1.539 2.625) 3.098 20.714 ( -1.270 0.100 -3.934) 4.135 22.157 ( 0.738 1.622 7.554) 7.761 22.364 ( 2.383 4.203 -12.502) 13.403 23.485 ( -0.190 0.596 9.450) 9.470 23.653 ( -0.060 -0.271 -6.874) 6.880 ======================= Grid point 465 (150/155) ======================= q-point: ( 0.60 0.30 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 2.983 -4.878 5.037) 7.619 1.728 ( 1.622 -1.832 2.547) 3.532 1.742 ( -0.406 -1.044 2.848) 3.060 1.924 ( -0.703 -0.158 -3.016) 3.101 2.267 ( -0.489 4.419 -0.147) 4.448 2.332 ( 0.975 5.349 -3.822) 6.646 2.374 ( -2.314 7.503 5.717) 9.712 2.541 ( 0.143 9.165 -7.948) 12.133 3.012 ( 2.488 2.182 3.498) 4.816 3.093 ( 2.405 0.304 -1.212) 2.710 3.152 ( -4.470 0.537 -2.757) 5.279 3.173 ( -4.631 -0.798 -2.411) 5.281 4.182 ( 2.821 1.432 7.892) 8.502 4.289 ( 3.844 -1.951 -1.848) 4.691 4.415 ( -2.289 -7.942 4.969) 9.644 4.518 ( -1.794 -7.737 -4.728) 9.243 4.694 ( 0.929 1.446 2.688) 3.190 4.818 ( 2.209 2.840 -9.108) 9.793 5.282 ( -0.408 -2.190 14.545) 14.715 5.547 ( -0.711 -2.384 -10.723) 11.008 7.314 ( 0.651 4.793 12.089) 13.021 7.439 ( -1.298 -2.358 9.583) 9.954 7.600 ( 1.480 6.329 -13.592) 15.066 7.652 ( -1.391 -0.070 -10.110) 10.205 8.976 ( 3.177 -0.642 9.221) 9.774 9.012 ( -0.967 -0.345 7.731) 7.799 9.141 ( 0.585 0.842 -5.331) 5.429 9.212 ( 1.899 -0.462 -12.034) 12.192 10.367 ( -1.838 -31.578 10.905) 33.458 10.548 ( -1.079 -33.963 -6.478) 34.592 11.452 ( -0.492 0.799 19.578) 19.600 11.585 ( -0.548 2.727 6.026) 6.636 12.255 ( 2.678 -14.955 11.943) 19.325 12.357 ( -0.418 -5.548 14.971) 15.972 12.474 ( -1.236 -13.218 -5.959) 14.552 12.654 ( -2.872 -2.549 -9.247) 10.012 13.196 ( 0.886 2.944 6.500) 7.190 13.477 ( 1.880 -1.123 -17.245) 17.383 14.409 ( -3.690 4.776 33.524) 34.063 15.089 ( -1.757 3.915 -30.626) 30.925 15.222 ( 1.238 14.845 15.159) 21.253 15.601 ( 1.336 12.099 -19.692) 23.150 20.675 ( -0.114 -1.914 0.826) 2.088 20.711 ( -0.423 -0.383 -2.560) 2.623 22.130 ( 0.215 1.608 6.200) 6.409 22.294 ( 0.827 4.363 -9.665) 10.636 23.470 ( -0.052 0.908 10.111) 10.152 23.653 ( -0.026 0.230 -7.623) 7.626 ======================= Grid point 466 (151/155) ======================= q-point: ( 0.70 0.30 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -0.000 3.016 11.525) 11.913 1.690 ( 0.000 -3.094 5.299) 6.136 1.832 ( 0.000 -4.472 -8.250) 9.384 1.904 ( -0.000 2.218 -7.552) 7.871 2.176 ( -0.000 4.657 2.750) 5.408 2.266 ( -0.000 1.727 7.293) 7.495 2.288 ( -0.000 1.389 -6.319) 6.470 2.418 ( -0.000 4.028 -6.893) 7.984 3.002 ( 0.000 -0.231 2.083) 2.096 3.088 ( -0.000 2.498 -5.297) 5.856 3.118 ( 0.000 -0.570 2.568) 2.631 3.179 ( 0.000 -0.925 -2.903) 3.046 4.112 ( -0.000 5.934 10.542) 12.098 4.294 ( -0.000 2.077 -5.420) 5.804 4.537 ( 0.000 -5.767 5.390) 7.894 4.633 ( 0.000 -4.772 -3.703) 6.040 4.660 ( -0.000 2.499 2.725) 3.698 4.760 ( -0.000 3.878 -7.741) 8.658 5.312 ( 0.000 -1.094 15.843) 15.881 5.574 ( 0.000 -0.772 -9.160) 9.192 7.251 ( -0.000 2.000 7.338) 7.606 7.478 ( -0.000 6.058 -13.756) 15.031 7.496 ( 0.000 -3.937 8.759) 9.603 7.670 ( 0.000 -1.011 -7.279) 7.349 8.995 ( 0.000 -1.147 10.148) 10.213 9.001 ( -0.000 1.305 4.736) 4.912 9.100 ( -0.000 3.115 -4.459) 5.439 9.233 ( 0.000 -1.148 -12.345) 12.398 10.907 ( 0.000 -26.135 13.774) 29.542 11.100 ( 0.000 -25.096 -4.707) 25.534 11.402 ( -0.000 5.069 14.936) 15.773 11.504 ( -0.000 6.211 3.995) 7.385 12.414 ( 0.000 -1.585 16.528) 16.603 12.563 ( 0.000 -16.449 12.365) 20.578 12.672 ( 0.000 -0.570 -6.715) 6.739 12.777 ( 0.000 -18.738 -8.208) 20.457 13.119 ( -0.000 5.615 12.568) 13.765 13.457 ( -0.000 4.474 -16.449) 17.046 14.348 ( -0.000 0.002 31.985) 31.985 14.965 ( -0.000 12.815 16.490) 20.884 15.030 ( -0.000 1.496 -31.824) 31.860 15.390 ( -0.000 10.640 -22.628) 25.005 20.703 ( 0.000 -0.904 -0.130) 0.913 20.723 ( 0.000 -1.085 -1.972) 2.250 22.106 ( -0.000 1.056 4.756) 4.872 22.226 ( -0.000 3.229 -6.818) 7.544 23.454 ( -0.000 0.728 10.514) 10.539 23.647 ( -0.000 0.347 -8.142) 8.149 ======================= Grid point 474 (152/155) ======================= q-point: ( 0.40 0.40 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 8.834 -0.000 4.955) 10.129 1.554 ( 6.628 -0.000 -7.743) 10.192 1.771 ( -0.298 0.000 8.882) 8.887 1.888 ( -0.458 0.000 0.624) 0.775 2.418 ( -0.941 0.000 1.307) 1.611 2.514 ( -0.958 0.000 -5.271) 5.358 2.862 ( -3.926 0.000 2.780) 4.810 2.935 ( -3.934 0.000 -4.042) 5.640 3.016 ( -0.634 0.000 2.044) 2.140 3.030 ( 5.195 -0.000 1.199) 5.331 3.226 ( -6.559 0.000 3.773) 7.566 3.328 ( -5.268 0.000 -4.978) 7.248 3.815 ( -2.044 0.000 14.328) 14.473 3.996 ( -0.588 0.000 5.966) 5.995 4.116 ( -2.265 0.000 -5.738) 6.168 4.129 ( -0.576 0.000 -14.430) 14.442 4.768 ( 7.783 -0.000 -0.272) 7.788 4.830 ( 8.494 -0.000 -5.605) 10.176 5.172 ( -2.416 0.000 11.317) 11.572 5.410 ( -3.482 0.000 -11.528) 12.043 7.413 ( 2.821 -0.000 8.809) 9.250 7.603 ( -5.655 0.000 14.911) 15.947 7.604 ( 2.018 -0.000 -9.103) 9.324 7.867 ( -2.926 0.000 -8.196) 8.703 8.499 ( 14.273 -0.000 0.857) 14.299 8.517 ( 14.583 -0.000 0.751) 14.602 9.162 ( -1.766 0.000 4.120) 4.482 9.291 ( 0.997 -0.000 -7.376) 7.443 9.639 ( -9.937 0.000 1.766) 10.092 9.685 ( -11.596 0.000 -2.842) 11.939 11.429 ( -0.171 0.000 29.912) 29.913 11.631 ( -0.391 0.000 9.449) 9.457 11.784 ( 1.234 -0.000 16.866) 16.911 12.116 ( 0.420 -0.000 -14.667) 14.673 12.182 ( -3.646 0.000 17.288) 17.668 12.587 ( -1.423 0.000 -17.068) 17.128 13.196 ( 2.479 -0.000 -5.357) 5.903 13.349 ( 6.422 -0.000 -14.812) 16.144 14.659 ( -10.280 0.000 32.380) 33.973 15.257 ( -5.700 0.000 -25.190) 25.827 15.688 ( 3.053 -0.000 10.096) 10.547 15.964 ( 3.164 -0.000 -14.450) 14.792 20.616 ( -1.063 0.000 4.735) 4.853 20.720 ( -1.776 0.000 -5.158) 5.456 22.193 ( 1.116 -0.000 9.289) 9.355 22.455 ( 3.175 -0.000 -16.197) 16.505 23.493 ( -0.357 0.000 8.469) 8.476 23.641 ( -0.008 0.000 -5.785) 5.785 ======================= Grid point 475 (153/155) ======================= q-point: ( 0.50 0.40 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 4.426 -1.898 4.608) 6.665 1.603 ( 3.602 -1.638 -7.491) 8.472 1.775 ( -0.734 -0.511 10.139) 10.179 1.891 ( -0.296 -0.554 1.387) 1.523 2.391 ( -0.436 2.284 0.893) 2.491 2.488 ( -0.521 2.476 -6.121) 6.623 2.757 ( -1.231 8.304 5.910) 10.266 2.882 ( 0.081 4.931 -5.929) 7.712 3.039 ( -0.117 -2.078 2.582) 3.316 3.087 ( 3.706 -1.827 -1.426) 4.371 3.151 ( -4.727 3.275 2.479) 6.262 3.215 ( -5.809 5.293 -2.690) 8.306 3.953 ( 1.531 -12.510 9.906) 16.031 4.058 ( -1.531 -6.652 5.920) 9.036 4.146 ( 1.049 -4.371 -5.753) 7.301 4.200 ( -2.261 -7.228 -10.689) 13.100 4.778 ( 3.978 2.638 1.454) 4.990 4.873 ( 4.159 0.274 -6.950) 8.104 5.182 ( -1.419 -2.396 11.519) 11.851 5.422 ( -1.988 -3.127 -11.553) 12.133 7.420 ( 1.637 0.914 8.716) 8.916 7.522 ( -0.880 4.545 14.605) 15.321 7.624 ( -0.685 -0.376 -8.327) 8.363 7.822 ( -1.648 3.233 -10.411) 11.025 8.658 ( 8.831 -11.159 8.841) 16.753 8.799 ( 8.146 -17.323 -4.553) 19.677 9.116 ( -2.046 3.485 4.729) 6.220 9.273 ( 1.428 2.360 -9.385) 9.781 9.626 ( -7.014 -5.548 2.628) 9.321 9.685 ( -6.314 -7.587 -2.996) 10.315 11.436 ( -0.150 -0.728 28.225) 28.235 11.626 ( -0.281 0.330 8.867) 8.878 11.846 ( 0.846 -6.107 15.752) 16.916 12.150 ( 1.039 -3.580 -11.209) 11.813 12.198 ( -2.759 -3.626 15.599) 16.251 12.589 ( -0.860 -0.982 -16.276) 16.328 13.218 ( 1.280 -0.838 -3.444) 3.768 13.396 ( 3.282 -1.567 -15.897) 16.308 14.580 ( -5.339 3.032 34.084) 34.633 15.211 ( -2.833 1.946 -26.711) 26.931 15.642 ( 1.525 6.554 10.980) 12.878 15.934 ( 1.603 4.984 -15.186) 16.063 20.618 ( -0.471 -0.837 4.018) 4.131 20.710 ( -0.818 0.169 -4.636) 4.711 22.188 ( 0.517 1.113 9.128) 9.210 22.444 ( 1.517 2.811 -15.738) 16.059 23.490 ( -0.165 0.181 8.875) 8.878 23.646 ( -0.018 -0.458 -6.164) 6.181 ======================= Grid point 476 (154/155) ======================= q-point: ( 0.60 0.40 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.000 -3.964 4.441) 5.953 1.659 ( 0.000 -3.455 -7.112) 7.906 1.769 ( -0.000 1.112 12.088) 12.139 1.905 ( 0.000 -1.164 0.893) 1.467 2.337 ( -0.000 3.378 -0.254) 3.387 2.419 ( -0.000 4.566 -7.231) 8.552 2.562 ( -0.000 11.872 8.786) 14.770 2.732 ( -0.000 10.722 -7.341) 12.994 3.068 ( -0.000 3.290 3.246) 4.621 3.079 ( 0.000 -1.865 2.087) 2.799 3.129 ( 0.000 -1.356 -2.509) 2.852 3.153 ( -0.000 0.089 -4.729) 4.730 4.164 ( 0.000 -4.830 5.889) 7.617 4.208 ( 0.000 -12.843 6.129) 14.230 4.246 ( 0.000 -4.762 -2.363) 5.316 4.346 ( 0.000 -9.430 -7.187) 11.856 4.738 ( -0.000 2.751 3.006) 4.075 4.868 ( -0.000 1.632 -8.754) 8.905 5.231 ( 0.000 -3.059 12.742) 13.105 5.484 ( 0.000 -3.908 -11.500) 12.145 7.413 ( -0.000 0.018 9.643) 9.643 7.420 ( -0.000 6.054 15.422) 16.567 7.630 ( 0.000 -0.554 -10.586) 10.600 7.731 ( -0.000 6.069 -13.005) 14.352 8.911 ( 0.000 -10.110 11.143) 15.046 9.033 ( -0.000 3.845 7.118) 8.090 9.091 ( 0.000 -8.361 -6.127) 10.365 9.236 ( -0.000 1.961 -11.488) 11.654 9.842 ( 0.000 -22.174 6.097) 22.997 9.957 ( 0.000 -26.272 -5.145) 26.771 11.449 ( 0.000 -0.624 24.331) 24.339 11.614 ( -0.000 0.964 7.686) 7.746 12.012 ( 0.000 -11.655 13.435) 17.786 12.266 ( 0.000 -8.527 -10.361) 13.418 12.266 ( 0.000 -4.943 17.614) 18.294 12.611 ( 0.000 -1.694 -13.286) 13.393 13.229 ( -0.000 0.452 0.604) 0.755 13.445 ( 0.000 -2.528 -16.642) 16.833 14.489 ( -0.000 4.924 34.632) 34.980 15.152 ( -0.000 3.457 -28.834) 29.040 15.475 ( -0.000 12.003 13.059) 17.738 15.806 ( -0.000 9.513 -17.072) 19.543 20.640 ( 0.000 -1.676 2.483) 2.996 20.706 ( 0.000 -0.046 -3.666) 3.666 22.162 ( -0.000 1.735 7.922) 8.110 22.380 ( -0.000 4.456 -13.163) 13.896 23.483 ( -0.000 0.554 9.524) 9.540 23.653 ( 0.000 -0.268 -6.894) 6.900 ======================= Grid point 487 (155/155) ======================= q-point: (-0.50 -0.50 0.44) 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 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.000 -0.000 4.446) 4.446 1.601 ( 0.000 -0.000 -7.866) 7.866 1.765 ( 0.000 -0.000 9.856) 9.856 1.884 ( 0.000 -0.000 0.878) 0.878 2.412 ( -0.000 0.000 1.529) 1.529 2.508 ( 0.000 -0.000 -4.828) 4.828 2.831 ( -0.000 0.000 2.128) 2.128 2.902 ( 0.000 -0.000 -4.526) 4.526 3.014 ( 0.000 -0.000 3.343) 3.343 3.094 ( 0.000 -0.000 -4.034) 4.034 3.161 ( -0.000 0.000 6.690) 6.690 3.295 ( 0.000 -0.000 -5.495) 5.495 3.801 ( 0.000 -0.000 15.297) 15.297 3.992 ( 0.000 -0.000 5.994) 5.994 4.101 ( 0.000 -0.000 -5.563) 5.563 4.125 ( 0.000 -0.000 -15.250) 15.250 4.821 ( 0.000 -0.000 0.207) 0.207 4.888 ( -0.000 0.000 -5.476) 5.476 5.154 ( -0.000 0.000 10.921) 10.921 5.384 ( 0.000 -0.000 -11.401) 11.401 7.438 ( -0.000 0.000 7.658) 7.658 7.559 ( 0.000 -0.000 16.434) 16.434 7.618 ( 0.000 -0.000 -8.853) 8.853 7.845 ( 0.000 -0.000 -9.436) 9.436 8.603 ( -0.000 0.000 2.809) 2.809 8.618 ( 0.000 -0.000 2.332) 2.332 9.146 ( 0.000 -0.000 3.665) 3.665 9.302 ( -0.000 0.000 -10.111) 10.111 9.569 ( -0.000 0.000 1.445) 1.445 9.598 ( 0.000 -0.000 -1.575) 1.575 11.428 ( 0.000 -0.000 29.692) 29.692 11.629 ( 0.000 -0.000 9.173) 9.173 11.792 ( 0.000 -0.000 16.576) 16.576 12.118 ( 0.000 -0.000 -14.459) 14.459 12.158 ( 0.000 -0.000 18.008) 18.008 12.578 ( 0.000 -0.000 -17.446) 17.446 13.213 ( -0.000 0.000 -4.394) 4.394 13.394 ( 0.000 -0.000 -16.618) 16.618 14.590 ( -0.000 0.000 34.685) 34.685 15.219 ( 0.000 -0.000 -26.215) 26.215 15.708 ( -0.000 0.000 10.091) 10.091 15.985 ( 0.000 -0.000 -14.489) 14.489 20.609 ( 0.000 -0.000 4.583) 4.583 20.709 ( 0.000 -0.000 -4.892) 4.892 22.200 ( 0.000 -0.000 9.745) 9.745 22.476 ( 0.000 -0.000 -17.023) 17.023 23.491 ( -0.000 0.000 8.632) 8.632 23.641 ( 0.000 -0.000 -5.862) 5.862 =================== 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 3/43200 10.0 584.004 377.700 308.836 0.000 0.000 -0.000 3/43200 20.0 88.368 71.839 69.403 0.000 0.000 -0.000 3/43200 30.0 32.074 28.752 30.683 0.000 0.000 -0.000 3/43200 40.0 17.447 16.614 18.571 0.000 0.000 -0.000 3/43200 50.0 11.626 11.484 13.195 0.000 0.000 -0.000 3/43200 60.0 8.655 8.756 10.259 0.000 0.000 -0.000 3/43200 70.0 6.883 7.085 8.432 0.000 0.000 -0.000 3/43200 80.0 5.714 5.964 7.191 0.000 0.000 -0.000 3/43200 90.0 4.887 5.161 6.296 0.000 0.000 -0.000 3/43200 100.0 4.273 4.559 5.622 0.000 0.000 -0.000 3/43200 110.0 3.799 4.091 5.096 0.000 0.000 -0.000 3/43200 120.0 3.423 3.718 4.674 0.000 0.000 -0.000 3/43200 130.0 3.118 3.412 4.327 0.000 0.000 -0.000 3/43200 140.0 2.866 3.157 4.036 0.000 0.000 -0.000 3/43200 150.0 2.654 2.941 3.788 0.000 0.000 -0.000 3/43200 160.0 2.474 2.756 3.574 0.000 0.000 -0.000 3/43200 170.0 2.318 2.594 3.387 0.000 0.000 -0.000 3/43200 180.0 2.182 2.452 3.221 0.000 0.000 -0.000 3/43200 190.0 2.063 2.326 3.074 0.000 0.000 -0.000 3/43200 200.0 1.957 2.214 2.941 0.000 0.000 -0.000 3/43200 210.0 1.863 2.113 2.820 0.000 0.000 -0.000 3/43200 220.0 1.778 2.021 2.710 0.000 0.000 -0.000 3/43200 230.0 1.701 1.937 2.609 0.000 0.000 -0.000 3/43200 240.0 1.631 1.861 2.516 0.000 0.000 -0.000 3/43200 250.0 1.567 1.790 2.430 0.000 0.000 -0.000 3/43200 260.0 1.508 1.725 2.350 0.000 0.000 -0.000 3/43200 270.0 1.454 1.665 2.275 0.000 0.000 -0.000 3/43200 280.0 1.404 1.609 2.206 0.000 0.000 -0.000 3/43200 290.0 1.357 1.557 2.140 0.000 0.000 -0.000 3/43200 300.0 1.314 1.508 2.079 0.000 0.000 -0.000 3/43200 310.0 1.274 1.462 2.021 0.000 0.000 -0.000 3/43200 320.0 1.236 1.419 1.966 0.000 0.000 -0.000 3/43200 330.0 1.200 1.379 1.914 0.000 0.000 -0.000 3/43200 340.0 1.166 1.341 1.865 0.000 0.000 -0.000 3/43200 350.0 1.135 1.305 1.818 0.000 0.000 -0.000 3/43200 360.0 1.105 1.270 1.774 0.000 0.000 -0.000 3/43200 370.0 1.076 1.238 1.732 0.000 0.000 -0.000 3/43200 380.0 1.049 1.207 1.691 0.000 0.000 -0.000 3/43200 390.0 1.024 1.178 1.653 0.000 0.000 -0.000 3/43200 400.0 0.999 1.150 1.616 0.000 0.000 -0.000 3/43200 410.0 0.976 1.124 1.581 0.000 0.000 -0.000 3/43200 420.0 0.954 1.098 1.547 0.000 0.000 -0.000 3/43200 430.0 0.933 1.074 1.515 0.000 0.000 -0.000 3/43200 440.0 0.913 1.051 1.484 0.000 0.000 -0.000 3/43200 450.0 0.894 1.028 1.454 0.000 0.000 -0.000 3/43200 460.0 0.875 1.007 1.426 0.000 0.000 -0.000 3/43200 470.0 0.857 0.987 1.398 0.000 0.000 -0.000 3/43200 480.0 0.840 0.967 1.371 0.000 0.000 -0.000 3/43200 490.0 0.824 0.948 1.346 0.000 0.000 -0.000 3/43200 500.0 0.808 0.930 1.321 0.000 0.000 -0.000 3/43200 510.0 0.793 0.913 1.298 0.000 0.000 -0.000 3/43200 520.0 0.778 0.896 1.275 0.000 0.000 -0.000 3/43200 530.0 0.764 0.879 1.252 0.000 0.000 -0.000 3/43200 540.0 0.751 0.864 1.231 0.000 0.000 -0.000 3/43200 550.0 0.738 0.849 1.210 0.000 0.000 -0.000 3/43200 560.0 0.725 0.834 1.190 0.000 0.000 -0.000 3/43200 570.0 0.713 0.820 1.171 0.000 0.000 -0.000 3/43200 580.0 0.701 0.806 1.152 0.000 0.000 -0.000 3/43200 590.0 0.689 0.793 1.134 0.000 0.000 -0.000 3/43200 600.0 0.678 0.780 1.116 0.000 0.000 -0.000 3/43200 610.0 0.668 0.768 1.099 0.000 0.000 -0.000 3/43200 620.0 0.657 0.756 1.082 0.000 0.000 -0.000 3/43200 630.0 0.647 0.744 1.066 0.000 0.000 -0.000 3/43200 640.0 0.637 0.733 1.051 0.000 0.000 -0.000 3/43200 650.0 0.628 0.722 1.035 0.000 0.000 -0.000 3/43200 660.0 0.619 0.712 1.021 0.000 0.000 -0.000 3/43200 670.0 0.610 0.701 1.006 0.000 0.000 -0.000 3/43200 680.0 0.601 0.691 0.992 0.000 0.000 -0.000 3/43200 690.0 0.593 0.681 0.979 0.000 0.000 -0.000 3/43200 700.0 0.584 0.672 0.965 0.000 0.000 -0.000 3/43200 710.0 0.576 0.663 0.952 0.000 0.000 -0.000 3/43200 720.0 0.569 0.654 0.940 0.000 0.000 -0.000 3/43200 730.0 0.561 0.645 0.928 0.000 0.000 -0.000 3/43200 740.0 0.554 0.637 0.916 0.000 0.000 -0.000 3/43200 750.0 0.546 0.628 0.904 0.000 0.000 -0.000 3/43200 760.0 0.539 0.620 0.893 0.000 0.000 -0.000 3/43200 770.0 0.533 0.612 0.881 0.000 0.000 -0.000 3/43200 780.0 0.526 0.605 0.871 0.000 0.000 -0.000 3/43200 790.0 0.519 0.597 0.860 0.000 0.000 -0.000 3/43200 800.0 0.513 0.590 0.850 0.000 0.000 -0.000 3/43200 810.0 0.507 0.583 0.840 0.000 0.000 -0.000 3/43200 820.0 0.501 0.576 0.830 0.000 0.000 -0.000 3/43200 830.0 0.495 0.569 0.820 0.000 0.000 -0.000 3/43200 840.0 0.489 0.562 0.811 0.000 0.000 -0.000 3/43200 850.0 0.484 0.556 0.802 0.000 0.000 -0.000 3/43200 860.0 0.478 0.550 0.793 0.000 0.000 -0.000 3/43200 870.0 0.473 0.543 0.784 0.000 0.000 -0.000 3/43200 880.0 0.468 0.537 0.775 0.000 0.000 -0.000 3/43200 890.0 0.462 0.531 0.767 0.000 0.000 -0.000 3/43200 900.0 0.457 0.526 0.759 0.000 0.000 -0.000 3/43200 910.0 0.452 0.520 0.751 0.000 0.000 -0.000 3/43200 920.0 0.448 0.514 0.743 0.000 0.000 -0.000 3/43200 930.0 0.443 0.509 0.735 0.000 0.000 -0.000 3/43200 940.0 0.438 0.504 0.727 0.000 0.000 -0.000 3/43200 950.0 0.434 0.498 0.720 0.000 0.000 -0.000 3/43200 960.0 0.429 0.493 0.713 0.000 0.000 -0.000 3/43200 970.0 0.425 0.488 0.706 0.000 0.000 -0.000 3/43200 980.0 0.421 0.483 0.699 0.000 0.000 -0.000 3/43200 990.0 0.416 0.479 0.692 0.000 0.000 -0.000 3/43200 1000.0 0.412 0.474 0.685 0.000 0.000 -0.000 3/43200 Thermal conductivity related properties were written into "kappa-m10109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:30:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|