----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:07:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.476178433887239 1.429622285366340 5.422226883333328 b -2.476178433887234 1.429622285366340 5.422226883333328 c 0.000000000000002 -2.859244570732685 5.422226883333328 Atomic positions (fractional): *1 C 0.59043416809798 0.59043416809799 0.59043416809798 12.011 2 C 0.40956583190202 0.40956583190202 0.40956583190202 12.011 *3 O 0.33609078500968 0.19494785136708 0.70153391182014 15.999 4 O 0.19494785136708 0.70153391182014 0.33609078500968 15.999 5 O 0.70153391182014 0.33609078500968 0.19494785136708 15.999 6 O 0.66390921499032 0.80505214863292 0.29846608817986 15.999 7 O 0.29846608817986 0.66390921499032 0.80505214863292 15.999 8 O 0.80505214863292 0.29846608817986 0.66390921499032 15.999 *9 Na 0.19942059239874 0.19942059239874 0.19942059239874 22.990 10 Na 0.80057940760126 0.80057940760126 0.80057940760126 22.990 *11 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.952356867774473 0.000000000000000 0.000000000000000 b -2.476178433887236 4.288866856099025 0.000000000000000 c 0.000000000000000 0.000000000000000 16.266680650000001 Atomic positions (fractional): *1 C 0.33333333333333 0.66666666666667 0.25710083476465 12.011 > 1 2 C 0.33333333333333 0.66666666666667 0.07623249856868 12.011 > 2 3 C 0.00000000000000 0.00000000000000 0.59043416809798 12.011 > 1 4 C 0.00000000000000 0.00000000000000 0.40956583190202 12.011 > 2 5 C 0.66666666666667 0.33333333333333 0.92376750143132 12.011 > 1 6 C 0.66666666666667 0.33333333333333 0.74289916523535 12.011 > 2 *7 O 0.25856660227738 0.37599027091216 0.07752418273230 15.999 > 3 8 O 0.11742366863478 0.74143339772262 0.07752418273230 15.999 > 4 9 O 0.62400972908784 0.88257633136522 0.07752418273230 15.999 > 5 10 O 0.40810006438929 0.95734306242117 0.25580915060103 15.999 > 6 11 O 0.04265693757883 0.45075700196811 0.25580915060103 15.999 > 7 12 O 0.54924299803189 0.59189993561071 0.25580915060103 15.999 > 8 13 O 0.92523326894405 0.70932360424549 0.41085751606563 15.999 > 3 14 O 0.78409033530144 0.07476673105595 0.41085751606563 15.999 > 4 15 O 0.29067639575451 0.21590966469856 0.41085751606563 15.999 > 5 16 O 0.07476673105595 0.29067639575451 0.58914248393437 15.999 > 6 17 O 0.70932360424549 0.78409033530144 0.58914248393437 15.999 > 7 18 O 0.21590966469856 0.92523326894405 0.58914248393437 15.999 > 8 19 O 0.59189993561071 0.04265693757883 0.74419084939897 15.999 > 3 20 O 0.45075700196811 0.40810006438929 0.74419084939897 15.999 > 4 21 O 0.95734306242117 0.54924299803189 0.74419084939897 15.999 > 5 22 O 0.74143339772262 0.62400972908784 0.92247581726770 15.999 > 6 23 O 0.37599027091216 0.11742366863478 0.92247581726770 15.999 > 7 24 O 0.88257633136522 0.25856660227738 0.92247581726770 15.999 > 8 *25 Na 0.00000000000000 0.00000000000000 0.19942059239874 22.990 > 9 26 Na 0.66666666666667 0.33333333333333 0.13391274093459 22.990 > 10 27 Na 0.66666666666667 0.33333333333333 0.53275392573207 22.990 > 9 28 Na 0.33333333333333 0.66666666666667 0.46724607426793 22.990 > 10 29 Na 0.33333333333333 0.66666666666667 0.86608725906541 22.990 > 9 30 Na 0.00000000000000 0.00000000000000 0.80057940760126 22.990 > 10 *31 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 11 32 Mg 0.66666666666667 0.33333333333333 0.33333333333333 24.305 > 11 33 Mg 0.33333333333333 0.66666666666667 0.66666666666667 24.305 > 11 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.904713735548945 0.000000000000000 0.000000000000000 b -4.952356867774472 8.577733712198050 0.000000000000000 c 0.000000000000000 0.000000000000000 16.266680650000001 Atomic positions (fractional): *1 C 0.16666666666667 0.33333333333333 0.25710083476465 12.011 > 1 2 C 0.66666666666667 0.33333333333333 0.25710083476465 12.011 > 1 3 C 0.16666666666667 0.83333333333333 0.25710083476465 12.011 > 1 4 C 0.66666666666667 0.83333333333333 0.25710083476465 12.011 > 1 5 C 0.16666666666667 0.33333333333333 0.07623249856868 12.011 > 2 6 C 0.66666666666667 0.33333333333333 0.07623249856868 12.011 > 2 7 C 0.16666666666667 0.83333333333333 0.07623249856868 12.011 > 2 8 C 0.66666666666667 0.83333333333333 0.07623249856868 12.011 > 2 9 C 0.00000000000000 0.00000000000000 0.59043416809798 12.011 > 1 10 C 0.50000000000000 0.00000000000000 0.59043416809798 12.011 > 1 11 C 0.00000000000000 0.50000000000000 0.59043416809798 12.011 > 1 12 C 0.50000000000000 0.50000000000000 0.59043416809798 12.011 > 1 13 C 0.00000000000000 0.00000000000000 0.40956583190202 12.011 > 2 14 C 0.50000000000000 0.00000000000000 0.40956583190202 12.011 > 2 15 C 0.00000000000000 0.50000000000000 0.40956583190202 12.011 > 2 16 C 0.50000000000000 0.50000000000000 0.40956583190202 12.011 > 2 17 C 0.33333333333333 0.16666666666667 0.92376750143132 12.011 > 1 18 C 0.83333333333333 0.16666666666667 0.92376750143132 12.011 > 1 19 C 0.33333333333333 0.66666666666667 0.92376750143132 12.011 > 1 20 C 0.83333333333333 0.66666666666667 0.92376750143132 12.011 > 1 21 C 0.33333333333333 0.16666666666667 0.74289916523535 12.011 > 2 22 C 0.83333333333333 0.16666666666667 0.74289916523535 12.011 > 2 23 C 0.33333333333333 0.66666666666667 0.74289916523535 12.011 > 2 24 C 0.83333333333333 0.66666666666667 0.74289916523535 12.011 > 2 *25 O 0.12928330113869 0.18799513545608 0.07752418273230 15.999 > 3 26 O 0.62928330113869 0.18799513545608 0.07752418273230 15.999 > 3 27 O 0.12928330113869 0.68799513545608 0.07752418273230 15.999 > 3 28 O 0.62928330113869 0.68799513545608 0.07752418273230 15.999 > 3 29 O 0.05871183431739 0.37071669886131 0.07752418273230 15.999 > 4 30 O 0.55871183431739 0.37071669886131 0.07752418273230 15.999 > 4 31 O 0.05871183431739 0.87071669886131 0.07752418273230 15.999 > 4 32 O 0.55871183431739 0.87071669886131 0.07752418273230 15.999 > 4 33 O 0.31200486454392 0.44128816568261 0.07752418273230 15.999 > 5 34 O 0.81200486454392 0.44128816568261 0.07752418273230 15.999 > 5 35 O 0.31200486454392 0.94128816568261 0.07752418273230 15.999 > 5 36 O 0.81200486454392 0.94128816568261 0.07752418273230 15.999 > 5 37 O 0.20405003219464 0.47867153121059 0.25580915060103 15.999 > 6 38 O 0.70405003219464 0.47867153121059 0.25580915060103 15.999 > 6 39 O 0.20405003219464 0.97867153121059 0.25580915060103 15.999 > 6 40 O 0.70405003219464 0.97867153121059 0.25580915060103 15.999 > 6 41 O 0.02132846878941 0.22537850098406 0.25580915060103 15.999 > 7 42 O 0.52132846878941 0.22537850098406 0.25580915060103 15.999 > 7 43 O 0.02132846878941 0.72537850098405 0.25580915060103 15.999 > 7 44 O 0.52132846878941 0.72537850098405 0.25580915060103 15.999 > 7 45 O 0.27462149901595 0.29594996780536 0.25580915060103 15.999 > 8 46 O 0.77462149901595 0.29594996780536 0.25580915060103 15.999 > 8 47 O 0.27462149901595 0.79594996780536 0.25580915060103 15.999 > 8 48 O 0.77462149901595 0.79594996780536 0.25580915060103 15.999 > 8 49 O 0.46261663447202 0.35466180212275 0.41085751606563 15.999 > 3 50 O 0.96261663447202 0.35466180212275 0.41085751606563 15.999 > 3 51 O 0.46261663447202 0.85466180212275 0.41085751606563 15.999 > 3 52 O 0.96261663447202 0.85466180212275 0.41085751606563 15.999 > 3 53 O 0.39204516765072 0.03738336552798 0.41085751606563 15.999 > 4 54 O 0.89204516765072 0.03738336552798 0.41085751606563 15.999 > 4 55 O 0.39204516765072 0.53738336552798 0.41085751606563 15.999 > 4 56 O 0.89204516765072 0.53738336552798 0.41085751606563 15.999 > 4 57 O 0.14533819787725 0.10795483234928 0.41085751606563 15.999 > 5 58 O 0.64533819787725 0.10795483234928 0.41085751606563 15.999 > 5 59 O 0.14533819787725 0.60795483234928 0.41085751606563 15.999 > 5 60 O 0.64533819787725 0.60795483234928 0.41085751606563 15.999 > 5 61 O 0.03738336552798 0.14533819787725 0.58914248393437 15.999 > 6 62 O 0.53738336552798 0.14533819787725 0.58914248393437 15.999 > 6 63 O 0.03738336552798 0.64533819787725 0.58914248393437 15.999 > 6 64 O 0.53738336552798 0.64533819787725 0.58914248393437 15.999 > 6 65 O 0.35466180212275 0.39204516765072 0.58914248393437 15.999 > 7 66 O 0.85466180212275 0.39204516765072 0.58914248393437 15.999 > 7 67 O 0.35466180212275 0.89204516765072 0.58914248393437 15.999 > 7 68 O 0.85466180212275 0.89204516765072 0.58914248393437 15.999 > 7 69 O 0.10795483234928 0.46261663447202 0.58914248393437 15.999 > 8 70 O 0.60795483234928 0.46261663447202 0.58914248393437 15.999 > 8 71 O 0.10795483234928 0.96261663447202 0.58914248393437 15.999 > 8 72 O 0.60795483234928 0.96261663447202 0.58914248393437 15.999 > 8 73 O 0.29594996780536 0.02132846878941 0.74419084939897 15.999 > 3 74 O 0.79594996780536 0.02132846878941 0.74419084939897 15.999 > 3 75 O 0.29594996780536 0.52132846878941 0.74419084939897 15.999 > 3 76 O 0.79594996780536 0.52132846878941 0.74419084939897 15.999 > 3 77 O 0.22537850098406 0.20405003219464 0.74419084939897 15.999 > 4 78 O 0.72537850098405 0.20405003219464 0.74419084939897 15.999 > 4 79 O 0.22537850098406 0.70405003219464 0.74419084939897 15.999 > 4 80 O 0.72537850098405 0.70405003219464 0.74419084939897 15.999 > 4 81 O 0.47867153121059 0.27462149901594 0.74419084939897 15.999 > 5 82 O 0.97867153121059 0.27462149901594 0.74419084939897 15.999 > 5 83 O 0.47867153121059 0.77462149901594 0.74419084939897 15.999 > 5 84 O 0.97867153121059 0.77462149901594 0.74419084939897 15.999 > 5 85 O 0.37071669886131 0.31200486454392 0.92247581726770 15.999 > 6 86 O 0.87071669886131 0.31200486454392 0.92247581726770 15.999 > 6 87 O 0.37071669886131 0.81200486454392 0.92247581726770 15.999 > 6 88 O 0.87071669886131 0.81200486454392 0.92247581726770 15.999 > 6 89 O 0.18799513545608 0.05871183431739 0.92247581726770 15.999 > 7 90 O 0.68799513545608 0.05871183431739 0.92247581726770 15.999 > 7 91 O 0.18799513545608 0.55871183431739 0.92247581726770 15.999 > 7 92 O 0.68799513545608 0.55871183431739 0.92247581726770 15.999 > 7 93 O 0.44128816568261 0.12928330113869 0.92247581726770 15.999 > 8 94 O 0.94128816568261 0.12928330113869 0.92247581726770 15.999 > 8 95 O 0.44128816568261 0.62928330113869 0.92247581726770 15.999 > 8 96 O 0.94128816568261 0.62928330113869 0.92247581726770 15.999 > 8 *97 Na 0.00000000000000 0.00000000000000 0.19942059239874 22.990 > 9 98 Na 0.50000000000000 0.00000000000000 0.19942059239874 22.990 > 9 99 Na 0.00000000000000 0.50000000000000 0.19942059239874 22.990 > 9 100 Na 0.50000000000000 0.50000000000000 0.19942059239874 22.990 > 9 101 Na 0.33333333333333 0.16666666666667 0.13391274093459 22.990 > 10 102 Na 0.83333333333333 0.16666666666667 0.13391274093459 22.990 > 10 103 Na 0.33333333333333 0.66666666666667 0.13391274093459 22.990 > 10 104 Na 0.83333333333333 0.66666666666667 0.13391274093459 22.990 > 10 105 Na 0.33333333333333 0.16666666666667 0.53275392573207 22.990 > 9 106 Na 0.83333333333333 0.16666666666667 0.53275392573207 22.990 > 9 107 Na 0.33333333333333 0.66666666666667 0.53275392573207 22.990 > 9 108 Na 0.83333333333333 0.66666666666667 0.53275392573207 22.990 > 9 109 Na 0.16666666666667 0.33333333333333 0.46724607426793 22.990 > 10 110 Na 0.66666666666667 0.33333333333333 0.46724607426793 22.990 > 10 111 Na 0.16666666666667 0.83333333333333 0.46724607426793 22.990 > 10 112 Na 0.66666666666667 0.83333333333333 0.46724607426793 22.990 > 10 113 Na 0.16666666666667 0.33333333333333 0.86608725906541 22.990 > 9 114 Na 0.66666666666667 0.33333333333333 0.86608725906541 22.990 > 9 115 Na 0.16666666666667 0.83333333333333 0.86608725906541 22.990 > 9 116 Na 0.66666666666667 0.83333333333333 0.86608725906541 22.990 > 9 117 Na 0.00000000000000 0.00000000000000 0.80057940760126 22.990 > 10 118 Na 0.50000000000000 0.00000000000000 0.80057940760126 22.990 > 10 119 Na 0.00000000000000 0.50000000000000 0.80057940760126 22.990 > 10 120 Na 0.50000000000000 0.50000000000000 0.80057940760126 22.990 > 10 *121 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 11 122 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 11 123 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 11 124 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 11 125 Mg 0.33333333333333 0.16666666666667 0.33333333333333 24.305 > 11 126 Mg 0.83333333333333 0.16666666666667 0.33333333333333 24.305 > 11 127 Mg 0.33333333333333 0.66666666666667 0.33333333333333 24.305 > 11 128 Mg 0.83333333333333 0.66666666666667 0.33333333333333 24.305 > 11 129 Mg 0.16666666666667 0.33333333333333 0.66666666666667 24.305 > 11 130 Mg 0.66666666666667 0.33333333333333 0.66666666666667 24.305 > 11 131 Mg 0.16666666666667 0.83333333333333 0.66666666666667 24.305 > 11 132 Mg 0.66666666666667 0.83333333333333 0.66666666666667 24.305 > 11 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7074340 -0.0000002 0.0000000 0.0000002 2.7074340 0.0000000 0.0000000 0.0000000 2.1883432 -------------------------- Born effective charges -------------------------- 1 C 2.8855147 0.0980123 0.0000000 -0.0980123 2.8855147 -0.0000000 0.0000000 -0.0000000 0.3929584 2 C 2.8855147 0.0980123 0.0000000 -0.0980123 2.8855147 -0.0000000 0.0000000 -0.0000000 0.3929584 3 O -1.1116135 0.3072629 -0.0299867 0.2919679 -2.3743909 -0.0817186 -0.0174705 -0.0602012 -0.8285288 4 O -2.3181711 0.4046384 -0.0557771 0.3893435 -1.1678333 0.0668285 -0.0434005 0.0452305 -0.8285288 5 O -1.7992220 -0.6889589 0.0857638 -0.7042538 -1.6867824 0.0148901 0.0608711 0.0149707 -0.8285288 6 O -1.1116135 0.3072629 -0.0299867 0.2919679 -2.3743909 -0.0817186 -0.0174705 -0.0602012 -0.8285288 7 O -1.7992220 -0.6889589 0.0857638 -0.7042538 -1.6867824 0.0148901 0.0608711 0.0149707 -0.8285288 8 O -2.3181711 0.4046384 -0.0557771 0.3893435 -1.1678333 0.0668285 -0.0434005 0.0452305 -0.8285288 9 Na 1.1210815 0.0030724 0.0000000 -0.0030724 1.1210815 -0.0000000 0.0000000 -0.0000000 1.1112652 10 Na 1.1210815 0.0030724 0.0000000 -0.0030724 1.1210815 -0.0000000 0.0000000 -0.0000000 1.1112652 11 Mg 2.4448206 -0.2480542 0.0000000 0.2480542 2.4448206 -0.0000000 0.0000000 -0.0000000 1.9627254 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 8286/8286 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1136 Number of blocks in projector: 536 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 524 Use submatrix version of eigh solver. (1) Block: 524 / 524 (2) Block: 250 / 524 (2) 241 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 515 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 460 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 152 Use standard eigh solver. Tree of FC basis block matrices: - (1136, 1119), data: False |-- (152, 148), data: True |-- (460, 456), data: True |-- (524, 515), data: False |-- (524, 515), data: False |-- (524, 9), data: (524, 18) @ (18, 9) |-- (274, 265), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.017 Solver_block: 100 / 240 - Time: 1.567 Solver_block: 200 / 240 - Time: 1.554 Solver_block: 240 / 240 - Time: 0.679 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.838 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 396/396 Permutation basis: 8286/8286 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1136 Number of blocks in projector: 536 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 524 Use submatrix version of eigh solver. (1) Block: 524 / 524 (2) Block: 250 / 524 (2) 241 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 515 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 460 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 152 Use standard eigh solver. Tree of FC basis block matrices: - (1136, 1119), data: False |-- (152, 148), data: True |-- (460, 456), data: True |-- (524, 515), data: False |-- (524, 515), data: False |-- (524, 9), data: (524, 18) @ (18, 9) |-- (274, 265), data: True |-- (250, 241), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xy) 0.00000000 (xy) 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 2026-01-07 21:07:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:07:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.476178433887239 1.429622285366340 5.422226883333328 b -2.476178433887234 1.429622285366340 5.422226883333328 c 0.000000000000002 -2.859244570732685 5.422226883333328 Atomic positions (fractional): 1 C 0.59043416809798 0.59043416809799 0.59043416809798 12.011 2 C 0.40956583190202 0.40956583190202 0.40956583190202 12.011 3 O 0.33609078500968 0.19494785136708 0.70153391182014 15.999 4 O 0.19494785136708 0.70153391182014 0.33609078500968 15.999 5 O 0.70153391182014 0.33609078500968 0.19494785136708 15.999 6 O 0.66390921499032 0.80505214863292 0.29846608817986 15.999 7 O 0.29846608817986 0.66390921499032 0.80505214863292 15.999 8 O 0.80505214863292 0.29846608817986 0.66390921499032 15.999 9 Na 0.19942059239874 0.19942059239874 0.19942059239874 22.990 10 Na 0.80057940760126 0.80057940760126 0.80057940760126 22.990 11 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.904713735548945 0.000000000000000 0.000000000000000 b -4.952356867774472 8.577733712198050 0.000000000000000 c 0.000000000000000 0.000000000000000 16.266680650000001 Atomic positions (fractional): 1 C 0.16666666666667 0.33333333333333 0.25710083476465 12.011 > 1 2 C 0.66666666666667 0.33333333333333 0.25710083476465 12.011 > 1 3 C 0.16666666666667 0.83333333333333 0.25710083476465 12.011 > 1 4 C 0.66666666666667 0.83333333333333 0.25710083476465 12.011 > 1 5 C 0.16666666666667 0.33333333333333 0.07623249856868 12.011 > 5 6 C 0.66666666666667 0.33333333333333 0.07623249856868 12.011 > 5 7 C 0.16666666666667 0.83333333333333 0.07623249856868 12.011 > 5 8 C 0.66666666666667 0.83333333333333 0.07623249856868 12.011 > 5 9 C 0.00000000000000 0.00000000000000 0.59043416809798 12.011 > 1 10 C 0.50000000000000 0.00000000000000 0.59043416809798 12.011 > 1 11 C 0.00000000000000 0.50000000000000 0.59043416809798 12.011 > 1 12 C 0.50000000000000 0.50000000000000 0.59043416809798 12.011 > 1 13 C 0.00000000000000 0.00000000000000 0.40956583190202 12.011 > 5 14 C 0.50000000000000 0.00000000000000 0.40956583190202 12.011 > 5 15 C 0.00000000000000 0.50000000000000 0.40956583190202 12.011 > 5 16 C 0.50000000000000 0.50000000000000 0.40956583190202 12.011 > 5 17 C 0.33333333333333 0.16666666666667 0.92376750143132 12.011 > 1 18 C 0.83333333333333 0.16666666666667 0.92376750143132 12.011 > 1 19 C 0.33333333333333 0.66666666666667 0.92376750143132 12.011 > 1 20 C 0.83333333333333 0.66666666666667 0.92376750143132 12.011 > 1 21 C 0.33333333333333 0.16666666666667 0.74289916523535 12.011 > 5 22 C 0.83333333333333 0.16666666666667 0.74289916523535 12.011 > 5 23 C 0.33333333333333 0.66666666666667 0.74289916523535 12.011 > 5 24 C 0.83333333333333 0.66666666666667 0.74289916523535 12.011 > 5 25 O 0.12928330113869 0.18799513545608 0.07752418273230 15.999 > 25 26 O 0.62928330113869 0.18799513545608 0.07752418273230 15.999 > 25 27 O 0.12928330113869 0.68799513545608 0.07752418273230 15.999 > 25 28 O 0.62928330113869 0.68799513545608 0.07752418273230 15.999 > 25 29 O 0.05871183431739 0.37071669886131 0.07752418273230 15.999 > 29 30 O 0.55871183431739 0.37071669886131 0.07752418273230 15.999 > 29 31 O 0.05871183431739 0.87071669886131 0.07752418273230 15.999 > 29 32 O 0.55871183431739 0.87071669886131 0.07752418273230 15.999 > 29 33 O 0.31200486454392 0.44128816568261 0.07752418273230 15.999 > 33 34 O 0.81200486454392 0.44128816568261 0.07752418273230 15.999 > 33 35 O 0.31200486454392 0.94128816568261 0.07752418273230 15.999 > 33 36 O 0.81200486454392 0.94128816568261 0.07752418273230 15.999 > 33 37 O 0.20405003219464 0.47867153121059 0.25580915060103 15.999 > 37 38 O 0.70405003219464 0.47867153121059 0.25580915060103 15.999 > 37 39 O 0.20405003219464 0.97867153121059 0.25580915060103 15.999 > 37 40 O 0.70405003219464 0.97867153121059 0.25580915060103 15.999 > 37 41 O 0.02132846878941 0.22537850098406 0.25580915060103 15.999 > 41 42 O 0.52132846878941 0.22537850098406 0.25580915060103 15.999 > 41 43 O 0.02132846878941 0.72537850098405 0.25580915060103 15.999 > 41 44 O 0.52132846878941 0.72537850098405 0.25580915060103 15.999 > 41 45 O 0.27462149901595 0.29594996780536 0.25580915060103 15.999 > 45 46 O 0.77462149901595 0.29594996780536 0.25580915060103 15.999 > 45 47 O 0.27462149901595 0.79594996780536 0.25580915060103 15.999 > 45 48 O 0.77462149901595 0.79594996780536 0.25580915060103 15.999 > 45 49 O 0.46261663447202 0.35466180212275 0.41085751606563 15.999 > 25 50 O 0.96261663447202 0.35466180212275 0.41085751606563 15.999 > 25 51 O 0.46261663447202 0.85466180212275 0.41085751606563 15.999 > 25 52 O 0.96261663447202 0.85466180212275 0.41085751606563 15.999 > 25 53 O 0.39204516765072 0.03738336552798 0.41085751606563 15.999 > 29 54 O 0.89204516765072 0.03738336552798 0.41085751606563 15.999 > 29 55 O 0.39204516765072 0.53738336552798 0.41085751606563 15.999 > 29 56 O 0.89204516765072 0.53738336552798 0.41085751606563 15.999 > 29 57 O 0.14533819787725 0.10795483234928 0.41085751606563 15.999 > 33 58 O 0.64533819787725 0.10795483234928 0.41085751606563 15.999 > 33 59 O 0.14533819787725 0.60795483234928 0.41085751606563 15.999 > 33 60 O 0.64533819787725 0.60795483234928 0.41085751606563 15.999 > 33 61 O 0.03738336552798 0.14533819787725 0.58914248393437 15.999 > 37 62 O 0.53738336552798 0.14533819787725 0.58914248393437 15.999 > 37 63 O 0.03738336552798 0.64533819787725 0.58914248393437 15.999 > 37 64 O 0.53738336552798 0.64533819787725 0.58914248393437 15.999 > 37 65 O 0.35466180212275 0.39204516765072 0.58914248393437 15.999 > 41 66 O 0.85466180212275 0.39204516765072 0.58914248393437 15.999 > 41 67 O 0.35466180212275 0.89204516765072 0.58914248393437 15.999 > 41 68 O 0.85466180212275 0.89204516765072 0.58914248393437 15.999 > 41 69 O 0.10795483234928 0.46261663447202 0.58914248393437 15.999 > 45 70 O 0.60795483234928 0.46261663447202 0.58914248393437 15.999 > 45 71 O 0.10795483234928 0.96261663447202 0.58914248393437 15.999 > 45 72 O 0.60795483234928 0.96261663447202 0.58914248393437 15.999 > 45 73 O 0.29594996780536 0.02132846878941 0.74419084939897 15.999 > 25 74 O 0.79594996780536 0.02132846878941 0.74419084939897 15.999 > 25 75 O 0.29594996780536 0.52132846878941 0.74419084939897 15.999 > 25 76 O 0.79594996780536 0.52132846878941 0.74419084939897 15.999 > 25 77 O 0.22537850098406 0.20405003219464 0.74419084939897 15.999 > 29 78 O 0.72537850098405 0.20405003219464 0.74419084939897 15.999 > 29 79 O 0.22537850098406 0.70405003219464 0.74419084939897 15.999 > 29 80 O 0.72537850098405 0.70405003219464 0.74419084939897 15.999 > 29 81 O 0.47867153121059 0.27462149901594 0.74419084939897 15.999 > 33 82 O 0.97867153121059 0.27462149901594 0.74419084939897 15.999 > 33 83 O 0.47867153121059 0.77462149901594 0.74419084939897 15.999 > 33 84 O 0.97867153121059 0.77462149901594 0.74419084939897 15.999 > 33 85 O 0.37071669886131 0.31200486454392 0.92247581726770 15.999 > 37 86 O 0.87071669886131 0.31200486454392 0.92247581726770 15.999 > 37 87 O 0.37071669886131 0.81200486454392 0.92247581726770 15.999 > 37 88 O 0.87071669886131 0.81200486454392 0.92247581726770 15.999 > 37 89 O 0.18799513545608 0.05871183431739 0.92247581726770 15.999 > 41 90 O 0.68799513545608 0.05871183431739 0.92247581726770 15.999 > 41 91 O 0.18799513545608 0.55871183431739 0.92247581726770 15.999 > 41 92 O 0.68799513545608 0.55871183431739 0.92247581726770 15.999 > 41 93 O 0.44128816568261 0.12928330113869 0.92247581726770 15.999 > 45 94 O 0.94128816568261 0.12928330113869 0.92247581726770 15.999 > 45 95 O 0.44128816568261 0.62928330113869 0.92247581726770 15.999 > 45 96 O 0.94128816568261 0.62928330113869 0.92247581726770 15.999 > 45 97 Na 0.00000000000000 0.00000000000000 0.19942059239874 22.990 > 97 98 Na 0.50000000000000 0.00000000000000 0.19942059239874 22.990 > 97 99 Na 0.00000000000000 0.50000000000000 0.19942059239874 22.990 > 97 100 Na 0.50000000000000 0.50000000000000 0.19942059239874 22.990 > 97 101 Na 0.33333333333333 0.16666666666667 0.13391274093459 22.990 > 101 102 Na 0.83333333333333 0.16666666666667 0.13391274093459 22.990 > 101 103 Na 0.33333333333333 0.66666666666667 0.13391274093459 22.990 > 101 104 Na 0.83333333333333 0.66666666666667 0.13391274093459 22.990 > 101 105 Na 0.33333333333333 0.16666666666667 0.53275392573207 22.990 > 97 106 Na 0.83333333333333 0.16666666666667 0.53275392573207 22.990 > 97 107 Na 0.33333333333333 0.66666666666667 0.53275392573207 22.990 > 97 108 Na 0.83333333333333 0.66666666666667 0.53275392573207 22.990 > 97 109 Na 0.16666666666667 0.33333333333333 0.46724607426793 22.990 > 101 110 Na 0.66666666666667 0.33333333333333 0.46724607426793 22.990 > 101 111 Na 0.16666666666667 0.83333333333333 0.46724607426793 22.990 > 101 112 Na 0.66666666666667 0.83333333333333 0.46724607426793 22.990 > 101 113 Na 0.16666666666667 0.33333333333333 0.86608725906541 22.990 > 97 114 Na 0.66666666666667 0.33333333333333 0.86608725906541 22.990 > 97 115 Na 0.16666666666667 0.83333333333333 0.86608725906541 22.990 > 97 116 Na 0.66666666666667 0.83333333333333 0.86608725906541 22.990 > 97 117 Na 0.00000000000000 0.00000000000000 0.80057940760126 22.990 > 101 118 Na 0.50000000000000 0.00000000000000 0.80057940760126 22.990 > 101 119 Na 0.00000000000000 0.50000000000000 0.80057940760126 22.990 > 101 120 Na 0.50000000000000 0.50000000000000 0.80057940760126 22.990 > 101 121 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 121 122 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 121 123 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 121 124 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 121 125 Mg 0.33333333333333 0.16666666666667 0.33333333333333 24.305 > 121 126 Mg 0.83333333333333 0.16666666666667 0.33333333333333 24.305 > 121 127 Mg 0.33333333333333 0.66666666666667 0.33333333333333 24.305 > 121 128 Mg 0.83333333333333 0.66666666666667 0.33333333333333 24.305 > 121 129 Mg 0.16666666666667 0.33333333333333 0.66666666666667 24.305 > 121 130 Mg 0.66666666666667 0.33333333333333 0.66666666666667 24.305 > 121 131 Mg 0.16666666666667 0.83333333333333 0.66666666666667 24.305 > 121 132 Mg 0.66666666666667 0.83333333333333 0.66666666666667 24.305 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7074340 -0.0000002 0.0000000 0.0000002 2.7074340 0.0000000 0.0000000 0.0000000 2.1883432 -------------------------- Born effective charges -------------------------- 1 C 2.8855147 0.0980123 0.0000000 -0.0980123 2.8855147 -0.0000000 0.0000000 -0.0000000 0.3929584 2 C 2.8855147 0.0980123 0.0000000 -0.0980123 2.8855147 -0.0000000 0.0000000 -0.0000000 0.3929584 3 O -1.1116135 0.3072629 -0.0299867 0.2919679 -2.3743909 -0.0817186 -0.0174705 -0.0602012 -0.8285288 4 O -2.3181711 0.4046384 -0.0557771 0.3893435 -1.1678333 0.0668285 -0.0434005 0.0452305 -0.8285288 5 O -1.7992220 -0.6889589 0.0857638 -0.7042538 -1.6867824 0.0148901 0.0608711 0.0149707 -0.8285288 6 O -1.1116135 0.3072629 -0.0299867 0.2919679 -2.3743909 -0.0817186 -0.0174705 -0.0602012 -0.8285288 7 O -1.7992220 -0.6889589 0.0857638 -0.7042538 -1.6867824 0.0148901 0.0608711 0.0149707 -0.8285288 8 O -2.3181711 0.4046384 -0.0557771 0.3893435 -1.1678333 0.0668285 -0.0434005 0.0452305 -0.8285288 9 Na 1.1210815 0.0030724 0.0000000 -0.0030724 1.1210815 -0.0000000 0.0000000 -0.0000000 1.1112652 10 Na 1.1210815 0.0030724 0.0000000 -0.0030724 1.1210815 -0.0000000 0.0000000 -0.0000000 1.1112652 11 Mg 2.4448206 -0.2480542 0.0000000 0.2480542 2.4448206 -0.0000000 0.0000000 -0.0000000 1.9627254 ---------------------------------------------------------------------------- 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 0.0000 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: -0.00000018 (yyy) -0.00000018 (yyy) -0.00000018 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000015 (yx) -0.00000015 (yx) 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 2026-01-07 21:08:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:08:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.476178433887239 1.429622285366340 5.422226883333328 b -2.476178433887234 1.429622285366340 5.422226883333328 c 0.000000000000002 -2.859244570732685 5.422226883333328 Atomic positions (fractional): 1 C 0.59043416809798 0.59043416809799 0.59043416809798 12.011 2 C 0.40956583190202 0.40956583190202 0.40956583190202 12.011 3 O 0.33609078500968 0.19494785136708 0.70153391182014 15.999 4 O 0.19494785136708 0.70153391182014 0.33609078500968 15.999 5 O 0.70153391182014 0.33609078500968 0.19494785136708 15.999 6 O 0.66390921499032 0.80505214863292 0.29846608817986 15.999 7 O 0.29846608817986 0.66390921499032 0.80505214863292 15.999 8 O 0.80505214863292 0.29846608817986 0.66390921499032 15.999 9 Na 0.19942059239874 0.19942059239874 0.19942059239874 22.990 10 Na 0.80057940760126 0.80057940760126 0.80057940760126 22.990 11 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.904713735548945 0.000000000000000 0.000000000000000 b -4.952356867774472 8.577733712198050 0.000000000000000 c 0.000000000000000 0.000000000000000 16.266680650000001 Atomic positions (fractional): 1 C 0.16666666666667 0.33333333333333 0.25710083476465 12.011 > 1 2 C 0.66666666666667 0.33333333333333 0.25710083476465 12.011 > 1 3 C 0.16666666666667 0.83333333333333 0.25710083476465 12.011 > 1 4 C 0.66666666666667 0.83333333333333 0.25710083476465 12.011 > 1 5 C 0.16666666666667 0.33333333333333 0.07623249856868 12.011 > 5 6 C 0.66666666666667 0.33333333333333 0.07623249856868 12.011 > 5 7 C 0.16666666666667 0.83333333333333 0.07623249856868 12.011 > 5 8 C 0.66666666666667 0.83333333333333 0.07623249856868 12.011 > 5 9 C 0.00000000000000 0.00000000000000 0.59043416809798 12.011 > 1 10 C 0.50000000000000 0.00000000000000 0.59043416809798 12.011 > 1 11 C 0.00000000000000 0.50000000000000 0.59043416809798 12.011 > 1 12 C 0.50000000000000 0.50000000000000 0.59043416809798 12.011 > 1 13 C 0.00000000000000 0.00000000000000 0.40956583190202 12.011 > 5 14 C 0.50000000000000 0.00000000000000 0.40956583190202 12.011 > 5 15 C 0.00000000000000 0.50000000000000 0.40956583190202 12.011 > 5 16 C 0.50000000000000 0.50000000000000 0.40956583190202 12.011 > 5 17 C 0.33333333333333 0.16666666666667 0.92376750143132 12.011 > 1 18 C 0.83333333333333 0.16666666666667 0.92376750143132 12.011 > 1 19 C 0.33333333333333 0.66666666666667 0.92376750143132 12.011 > 1 20 C 0.83333333333333 0.66666666666667 0.92376750143132 12.011 > 1 21 C 0.33333333333333 0.16666666666667 0.74289916523535 12.011 > 5 22 C 0.83333333333333 0.16666666666667 0.74289916523535 12.011 > 5 23 C 0.33333333333333 0.66666666666667 0.74289916523535 12.011 > 5 24 C 0.83333333333333 0.66666666666667 0.74289916523535 12.011 > 5 25 O 0.12928330113869 0.18799513545608 0.07752418273230 15.999 > 25 26 O 0.62928330113869 0.18799513545608 0.07752418273230 15.999 > 25 27 O 0.12928330113869 0.68799513545608 0.07752418273230 15.999 > 25 28 O 0.62928330113869 0.68799513545608 0.07752418273230 15.999 > 25 29 O 0.05871183431739 0.37071669886131 0.07752418273230 15.999 > 29 30 O 0.55871183431739 0.37071669886131 0.07752418273230 15.999 > 29 31 O 0.05871183431739 0.87071669886131 0.07752418273230 15.999 > 29 32 O 0.55871183431739 0.87071669886131 0.07752418273230 15.999 > 29 33 O 0.31200486454392 0.44128816568261 0.07752418273230 15.999 > 33 34 O 0.81200486454392 0.44128816568261 0.07752418273230 15.999 > 33 35 O 0.31200486454392 0.94128816568261 0.07752418273230 15.999 > 33 36 O 0.81200486454392 0.94128816568261 0.07752418273230 15.999 > 33 37 O 0.20405003219464 0.47867153121059 0.25580915060103 15.999 > 37 38 O 0.70405003219464 0.47867153121059 0.25580915060103 15.999 > 37 39 O 0.20405003219464 0.97867153121059 0.25580915060103 15.999 > 37 40 O 0.70405003219464 0.97867153121059 0.25580915060103 15.999 > 37 41 O 0.02132846878941 0.22537850098406 0.25580915060103 15.999 > 41 42 O 0.52132846878941 0.22537850098406 0.25580915060103 15.999 > 41 43 O 0.02132846878941 0.72537850098405 0.25580915060103 15.999 > 41 44 O 0.52132846878941 0.72537850098405 0.25580915060103 15.999 > 41 45 O 0.27462149901595 0.29594996780536 0.25580915060103 15.999 > 45 46 O 0.77462149901595 0.29594996780536 0.25580915060103 15.999 > 45 47 O 0.27462149901595 0.79594996780536 0.25580915060103 15.999 > 45 48 O 0.77462149901595 0.79594996780536 0.25580915060103 15.999 > 45 49 O 0.46261663447202 0.35466180212275 0.41085751606563 15.999 > 25 50 O 0.96261663447202 0.35466180212275 0.41085751606563 15.999 > 25 51 O 0.46261663447202 0.85466180212275 0.41085751606563 15.999 > 25 52 O 0.96261663447202 0.85466180212275 0.41085751606563 15.999 > 25 53 O 0.39204516765072 0.03738336552798 0.41085751606563 15.999 > 29 54 O 0.89204516765072 0.03738336552798 0.41085751606563 15.999 > 29 55 O 0.39204516765072 0.53738336552798 0.41085751606563 15.999 > 29 56 O 0.89204516765072 0.53738336552798 0.41085751606563 15.999 > 29 57 O 0.14533819787725 0.10795483234928 0.41085751606563 15.999 > 33 58 O 0.64533819787725 0.10795483234928 0.41085751606563 15.999 > 33 59 O 0.14533819787725 0.60795483234928 0.41085751606563 15.999 > 33 60 O 0.64533819787725 0.60795483234928 0.41085751606563 15.999 > 33 61 O 0.03738336552798 0.14533819787725 0.58914248393437 15.999 > 37 62 O 0.53738336552798 0.14533819787725 0.58914248393437 15.999 > 37 63 O 0.03738336552798 0.64533819787725 0.58914248393437 15.999 > 37 64 O 0.53738336552798 0.64533819787725 0.58914248393437 15.999 > 37 65 O 0.35466180212275 0.39204516765072 0.58914248393437 15.999 > 41 66 O 0.85466180212275 0.39204516765072 0.58914248393437 15.999 > 41 67 O 0.35466180212275 0.89204516765072 0.58914248393437 15.999 > 41 68 O 0.85466180212275 0.89204516765072 0.58914248393437 15.999 > 41 69 O 0.10795483234928 0.46261663447202 0.58914248393437 15.999 > 45 70 O 0.60795483234928 0.46261663447202 0.58914248393437 15.999 > 45 71 O 0.10795483234928 0.96261663447202 0.58914248393437 15.999 > 45 72 O 0.60795483234928 0.96261663447202 0.58914248393437 15.999 > 45 73 O 0.29594996780536 0.02132846878941 0.74419084939897 15.999 > 25 74 O 0.79594996780536 0.02132846878941 0.74419084939897 15.999 > 25 75 O 0.29594996780536 0.52132846878941 0.74419084939897 15.999 > 25 76 O 0.79594996780536 0.52132846878941 0.74419084939897 15.999 > 25 77 O 0.22537850098406 0.20405003219464 0.74419084939897 15.999 > 29 78 O 0.72537850098405 0.20405003219464 0.74419084939897 15.999 > 29 79 O 0.22537850098406 0.70405003219464 0.74419084939897 15.999 > 29 80 O 0.72537850098405 0.70405003219464 0.74419084939897 15.999 > 29 81 O 0.47867153121059 0.27462149901594 0.74419084939897 15.999 > 33 82 O 0.97867153121059 0.27462149901594 0.74419084939897 15.999 > 33 83 O 0.47867153121059 0.77462149901594 0.74419084939897 15.999 > 33 84 O 0.97867153121059 0.77462149901594 0.74419084939897 15.999 > 33 85 O 0.37071669886131 0.31200486454392 0.92247581726770 15.999 > 37 86 O 0.87071669886131 0.31200486454392 0.92247581726770 15.999 > 37 87 O 0.37071669886131 0.81200486454392 0.92247581726770 15.999 > 37 88 O 0.87071669886131 0.81200486454392 0.92247581726770 15.999 > 37 89 O 0.18799513545608 0.05871183431739 0.92247581726770 15.999 > 41 90 O 0.68799513545608 0.05871183431739 0.92247581726770 15.999 > 41 91 O 0.18799513545608 0.55871183431739 0.92247581726770 15.999 > 41 92 O 0.68799513545608 0.55871183431739 0.92247581726770 15.999 > 41 93 O 0.44128816568261 0.12928330113869 0.92247581726770 15.999 > 45 94 O 0.94128816568261 0.12928330113869 0.92247581726770 15.999 > 45 95 O 0.44128816568261 0.62928330113869 0.92247581726770 15.999 > 45 96 O 0.94128816568261 0.62928330113869 0.92247581726770 15.999 > 45 97 Na 0.00000000000000 0.00000000000000 0.19942059239874 22.990 > 97 98 Na 0.50000000000000 0.00000000000000 0.19942059239874 22.990 > 97 99 Na 0.00000000000000 0.50000000000000 0.19942059239874 22.990 > 97 100 Na 0.50000000000000 0.50000000000000 0.19942059239874 22.990 > 97 101 Na 0.33333333333333 0.16666666666667 0.13391274093459 22.990 > 101 102 Na 0.83333333333333 0.16666666666667 0.13391274093459 22.990 > 101 103 Na 0.33333333333333 0.66666666666667 0.13391274093459 22.990 > 101 104 Na 0.83333333333333 0.66666666666667 0.13391274093459 22.990 > 101 105 Na 0.33333333333333 0.16666666666667 0.53275392573207 22.990 > 97 106 Na 0.83333333333333 0.16666666666667 0.53275392573207 22.990 > 97 107 Na 0.33333333333333 0.66666666666667 0.53275392573207 22.990 > 97 108 Na 0.83333333333333 0.66666666666667 0.53275392573207 22.990 > 97 109 Na 0.16666666666667 0.33333333333333 0.46724607426793 22.990 > 101 110 Na 0.66666666666667 0.33333333333333 0.46724607426793 22.990 > 101 111 Na 0.16666666666667 0.83333333333333 0.46724607426793 22.990 > 101 112 Na 0.66666666666667 0.83333333333333 0.46724607426793 22.990 > 101 113 Na 0.16666666666667 0.33333333333333 0.86608725906541 22.990 > 97 114 Na 0.66666666666667 0.33333333333333 0.86608725906541 22.990 > 97 115 Na 0.16666666666667 0.83333333333333 0.86608725906541 22.990 > 97 116 Na 0.66666666666667 0.83333333333333 0.86608725906541 22.990 > 97 117 Na 0.00000000000000 0.00000000000000 0.80057940760126 22.990 > 101 118 Na 0.50000000000000 0.00000000000000 0.80057940760126 22.990 > 101 119 Na 0.00000000000000 0.50000000000000 0.80057940760126 22.990 > 101 120 Na 0.50000000000000 0.50000000000000 0.80057940760126 22.990 > 101 121 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 121 122 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 121 123 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 121 124 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 121 125 Mg 0.33333333333333 0.16666666666667 0.33333333333333 24.305 > 121 126 Mg 0.83333333333333 0.16666666666667 0.33333333333333 24.305 > 121 127 Mg 0.33333333333333 0.66666666666667 0.33333333333333 24.305 > 121 128 Mg 0.83333333333333 0.66666666666667 0.33333333333333 24.305 > 121 129 Mg 0.16666666666667 0.33333333333333 0.66666666666667 24.305 > 121 130 Mg 0.66666666666667 0.33333333333333 0.66666666666667 24.305 > 121 131 Mg 0.16666666666667 0.83333333333333 0.66666666666667 24.305 > 121 132 Mg 0.66666666666667 0.83333333333333 0.66666666666667 24.305 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7074340 -0.0000002 0.0000000 0.0000002 2.7074340 0.0000000 0.0000000 0.0000000 2.1883432 -------------------------- Born effective charges -------------------------- 1 C 2.8855147 0.0980123 0.0000000 -0.0980123 2.8855147 -0.0000000 0.0000000 -0.0000000 0.3929584 2 C 2.8855147 0.0980123 0.0000000 -0.0980123 2.8855147 -0.0000000 0.0000000 -0.0000000 0.3929584 3 O -1.1116135 0.3072629 -0.0299867 0.2919679 -2.3743909 -0.0817186 -0.0174705 -0.0602012 -0.8285288 4 O -2.3181711 0.4046384 -0.0557771 0.3893435 -1.1678333 0.0668285 -0.0434005 0.0452305 -0.8285288 5 O -1.7992220 -0.6889589 0.0857638 -0.7042538 -1.6867824 0.0148901 0.0608711 0.0149707 -0.8285288 6 O -1.1116135 0.3072629 -0.0299867 0.2919679 -2.3743909 -0.0817186 -0.0174705 -0.0602012 -0.8285288 7 O -1.7992220 -0.6889589 0.0857638 -0.7042538 -1.6867824 0.0148901 0.0608711 0.0149707 -0.8285288 8 O -2.3181711 0.4046384 -0.0557771 0.3893435 -1.1678333 0.0668285 -0.0434005 0.0452305 -0.8285288 9 Na 1.1210815 0.0030724 0.0000000 -0.0030724 1.1210815 -0.0000000 0.0000000 -0.0000000 1.1112652 10 Na 1.1210815 0.0030724 0.0000000 -0.0030724 1.1210815 -0.0000000 0.0000000 -0.0000000 1.1112652 11 Mg 2.4448206 -0.2480542 0.0000000 0.2480542 2.4448206 -0.0000000 0.0000000 -0.0000000 1.9627254 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000018 (yyy) -0.00000018 (yyy) -0.00000018 (yyy) Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] 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: 0.85, Number of G-points: 309, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/294) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 294 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 2.926 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.778 ( 0.000 0.000 0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.730 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.544 ( 0.000 0.000 0.000) 0.000 8.074 ( 0.000 0.000 0.000) 0.000 8.074 ( 0.000 0.000 0.000) 0.000 9.297 ( 0.000 0.000 0.000) 0.000 10.319 ( 0.000 0.000 0.000) 0.000 10.319 ( 0.000 0.000 0.000) 0.000 11.437 ( 0.000 0.000 0.000) 0.000 20.488 ( 0.000 0.000 0.000) 0.000 20.488 ( 0.000 0.000 0.000) 0.000 20.595 ( 0.000 0.000 0.000) 0.000 20.595 ( 0.000 0.000 0.000) 0.000 24.718 ( 0.000 0.000 0.000) 0.000 25.509 ( 0.000 0.000 0.000) 0.000 32.650 ( 0.000 0.000 0.000) 0.000 32.697 ( 0.000 0.000 0.000) 0.000 42.217 ( 0.000 0.000 0.000) 0.000 42.217 ( 0.000 0.000 0.000) 0.000 43.135 ( 0.000 0.000 0.000) 0.000 43.135 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/294) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 12.692 18.865 31.901) 39.175 0.894 ( 37.116 21.996 8.014) 43.882 1.545 ( 68.239 34.188 1.704) 76.343 2.961 ( 4.739 -1.795 0.915) 5.149 3.104 ( 14.073 7.731 -1.001) 16.088 3.715 ( -3.622 -1.233 -2.741) 4.706 3.970 ( -3.838 2.751 30.264) 30.630 5.620 ( -7.244 -3.389 -1.709) 8.178 5.675 ( -0.514 -1.012 -0.279) 1.169 6.137 ( -5.558 -3.089 -2.030) 6.675 6.244 ( -4.050 7.382 -11.800) 14.496 6.408 ( 12.027 -3.802 8.561) 15.245 7.175 ( 0.692 -0.715 -1.850) 2.100 7.420 ( 4.686 -7.691 -11.906) 14.929 7.654 ( -3.860 10.312 15.221) 18.786 8.070 ( 1.453 -2.562 -1.156) 3.164 8.153 ( 4.326 4.938 2.515) 7.030 9.306 ( 1.615 0.844 -2.625) 3.196 10.318 ( 0.108 0.309 -1.604) 1.637 11.358 ( -0.983 -0.499 -11.789) 11.840 13.081 ( -6.818 -4.319 -1.442) 8.198 20.465 ( -2.196 -0.950 0.605) 2.468 20.496 ( 0.949 0.497 -1.258) 1.652 20.596 ( -0.747 0.237 -0.289) 0.835 20.601 ( 0.717 -0.442 -0.222) 0.871 24.746 ( -1.970 -1.132 9.482) 9.750 25.507 ( -0.125 -0.072 0.009) 0.144 32.633 ( -1.479 -0.806 -0.073) 1.686 32.688 ( -0.670 -0.393 -0.298) 0.832 42.236 ( 0.705 0.763 3.870) 4.007 42.274 ( 5.546 2.808 -1.988) 6.526 43.151 ( 2.476 0.900 -4.155) 4.920 46.885 ( 15.644 9.471 -71.577) 73.876 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 14.071 19.089 29.909) 38.169 1.737 ( 35.108 16.745 7.447) 39.603 2.832 ( 42.245 13.122 4.466) 44.461 3.048 ( 1.631 7.109 1.980) 7.558 3.421 ( 20.959 3.693 -5.708) 22.034 3.716 ( 8.479 4.699 -0.383) 9.701 4.155 ( 2.816 14.189 16.207) 21.724 5.446 ( -6.680 -2.010 -4.196) 8.141 5.668 ( -2.410 3.088 0.823) 4.003 5.916 ( -8.256 -13.708 -1.136) 16.043 6.192 ( -3.027 8.110 -15.175) 17.471 6.645 ( 13.304 -2.026 8.872) 16.119 7.175 ( 1.946 -0.991 -1.430) 2.610 7.370 ( 5.369 -9.873 -7.319) 13.411 7.801 ( -3.641 18.103 6.617) 19.616 8.075 ( 5.203 -5.331 -1.212) 7.547 8.305 ( 4.179 6.642 5.410) 9.532 9.349 ( 4.113 1.918 -3.962) 6.024 10.307 ( -0.395 0.093 -3.202) 3.228 11.243 ( -5.537 -3.216 -3.419) 7.259 12.850 ( -13.384 -8.316 2.931) 16.027 20.408 ( -3.384 -1.490 0.913) 3.808 20.507 ( 0.343 0.528 -1.560) 1.682 20.574 ( -1.288 -0.024 -1.177) 1.745 20.619 ( 1.813 -0.315 0.102) 1.843 24.753 ( -0.628 -0.353 4.465) 4.522 25.503 ( -0.225 -0.126 -0.073) 0.268 32.588 ( -2.389 -1.255 -0.395) 2.727 32.666 ( -1.046 -0.637 -0.542) 1.339 42.296 ( 1.662 1.637 7.336) 7.698 42.426 ( 9.504 4.350 -3.170) 10.922 43.187 ( 3.712 1.516 -7.710) 8.691 46.868 ( 6.069 4.351 -32.486) 33.333 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 12.272 17.540 26.300) 33.911 2.436 ( 28.294 7.546 5.745) 29.842 2.964 ( -9.969 -0.939 4.235) 10.872 3.254 ( 14.045 -6.058 2.071) 15.436 3.700 ( 6.715 3.037 -1.437) 7.509 4.267 ( 19.706 20.181 0.097) 28.206 4.501 ( 15.319 16.291 5.198) 22.958 5.383 ( 1.090 4.261 -5.596) 7.117 5.528 ( -12.338 -0.526 0.934) 12.385 5.789 ( 8.820 -9.267 -0.214) 12.796 6.145 ( -1.348 5.494 -13.477) 14.616 6.883 ( 10.931 -1.122 6.978) 13.017 7.228 ( 7.822 -2.494 -3.828) 9.058 7.327 ( 2.462 -4.529 -3.765) 6.383 7.888 ( -3.971 8.424 0.892) 9.355 8.162 ( 6.923 1.770 0.719) 7.182 8.477 ( 3.319 8.247 8.951) 12.615 9.440 ( 6.165 2.801 -4.343) 8.044 10.271 ( -0.957 -0.900 -4.347) 4.541 11.083 ( -7.576 -4.537 -1.127) 8.902 12.521 ( -16.563 -10.018 4.757) 19.933 20.340 ( -3.296 -1.582 1.062) 3.807 20.490 ( -1.909 -0.250 -1.256) 2.298 20.554 ( -0.170 0.558 -1.292) 1.418 20.650 ( 2.128 -0.409 -0.387) 2.201 24.764 ( -0.082 -0.037 2.716) 2.717 25.497 ( -0.266 -0.146 -0.221) 0.375 32.530 ( -2.559 -1.283 -0.551) 2.915 32.638 ( -1.044 -0.672 -0.679) 1.415 42.398 ( 2.626 2.582 10.059) 10.712 42.627 ( 10.966 3.848 -3.364) 12.098 43.217 ( 3.232 1.862 -10.201) 10.862 46.842 ( 2.401 2.512 -18.299) 18.626 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 5.406 12.192 17.069) 21.662 2.735 ( -12.812 10.157 2.997) 16.623 2.923 ( 19.899 -14.829 9.462) 26.559 3.448 ( 15.378 -5.184 0.544) 16.238 3.828 ( 4.334 6.185 -1.514) 7.702 4.445 ( -7.692 12.291 -2.285) 14.679 4.805 ( -0.550 2.647 -2.288) 3.541 5.261 ( -2.096 1.951 1.546) 3.254 5.751 ( 13.248 10.912 3.428) 17.502 5.906 ( 12.689 -3.642 -2.668) 13.468 6.123 ( 0.933 3.434 -9.715) 10.347 7.003 ( 3.257 -4.405 -2.380) 5.973 7.267 ( 4.788 -3.078 0.830) 5.752 7.502 ( 17.115 9.118 -4.045) 19.810 7.872 ( -1.085 -2.704 2.215) 3.660 8.298 ( 4.186 4.849 0.417) 6.419 8.658 ( 0.834 10.395 9.917) 14.391 9.552 ( 6.406 2.519 -4.219) 8.074 10.221 ( -0.329 -2.217 -4.304) 4.853 10.886 ( -9.700 -5.411 -0.621) 11.124 12.179 ( -15.035 -8.743 4.805) 18.043 20.285 ( -2.084 -1.279 1.152) 2.703 20.434 ( -3.130 -0.629 -1.282) 3.440 20.563 ( 0.889 0.985 -0.988) 1.654 20.672 ( 1.278 -0.659 -0.451) 1.507 24.776 ( 0.151 0.096 1.711) 1.720 25.490 ( -0.228 -0.123 -0.307) 0.401 32.477 ( -2.054 -0.980 -0.495) 2.329 32.613 ( -0.781 -0.536 -0.653) 1.150 42.532 ( 2.975 3.358 11.464) 12.311 42.814 ( 9.833 1.209 -3.190) 10.408 43.223 ( 1.472 2.297 -10.831) 11.169 46.812 ( 0.636 1.478 -10.383) 10.507 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -2.644 5.030 3.404) 6.624 2.624 ( -6.853 -0.648 7.173) 9.941 3.141 ( 10.625 -3.335 5.707) 12.514 3.695 ( 15.148 1.142 1.354) 15.251 3.907 ( 1.657 -0.547 0.200) 1.757 4.384 ( -7.941 7.555 -1.582) 11.075 4.607 ( -9.373 -7.613 -8.430) 14.726 5.443 ( 5.805 14.640 6.352) 16.981 5.937 ( 2.392 -3.548 3.544) 5.556 6.038 ( 5.274 1.372 -2.102) 5.841 6.156 ( 3.406 1.783 -6.568) 7.610 6.933 ( -1.230 -4.493 -4.729) 6.638 7.362 ( 4.781 0.027 3.541) 5.950 7.781 ( -0.255 3.738 -5.563) 6.707 7.990 ( 21.908 1.748 2.267) 22.094 8.397 ( 2.631 4.193 0.674) 4.996 8.763 ( -5.105 7.394 6.885) 11.319 9.664 ( 6.840 1.767 -2.710) 7.566 10.175 ( -0.448 -2.782 -2.877) 4.027 10.652 ( -10.532 -5.051 -0.096) 11.681 11.931 ( -8.331 -4.669 2.974) 10.002 20.260 ( -0.449 -0.696 1.046) 1.334 20.371 ( -2.667 -0.459 -1.131) 2.933 20.587 ( 1.071 0.937 -0.614) 1.550 20.676 ( 0.204 -0.741 -0.192) 0.792 24.787 ( 0.148 0.091 0.862) 0.880 25.484 ( -0.128 -0.069 -0.225) 0.268 32.440 ( -1.118 -0.512 -0.277) 1.261 32.596 ( -0.405 -0.295 -0.413) 0.650 42.666 ( 2.107 3.225 9.744) 10.478 42.930 ( 6.087 -1.989 -3.529) 7.312 43.208 ( -0.065 2.594 -7.497) 7.933 46.789 ( 0.005 0.706 -4.781) 4.833 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 -0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.888 ( -0.000 -0.000 0.000) 0.000 3.908 ( 0.000 0.000 -0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 -0.000 0.000) 0.000 5.883 ( 0.000 0.000 0.000) 0.000 6.115 ( 0.000 0.000 0.000) 0.000 6.157 ( 0.000 -0.000 -0.000) 0.000 6.883 ( 0.000 0.000 0.000) 0.000 7.418 ( 0.000 0.000 0.000) 0.000 7.764 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.482 ( 0.000 0.000 0.000) 0.000 8.727 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 -0.000 0.000) 0.000 10.131 ( 0.000 0.000 0.000) 0.000 10.520 ( 0.000 0.000 0.000) 0.000 11.847 ( 0.000 0.000 0.000) 0.000 20.259 ( 0.000 0.000 0.000) 0.000 20.339 ( 0.000 0.000 0.000) 0.000 20.602 ( 0.000 -0.000 0.000) 0.000 20.671 ( 0.000 0.000 0.000) 0.000 24.791 ( 0.000 0.000 0.000) 0.000 25.482 ( 0.000 0.000 0.000) 0.000 32.428 ( 0.000 0.000 0.000) 0.000 32.590 ( 0.000 0.000 0.000) 0.000 42.733 ( 0.000 0.000 0.000) 0.000 42.955 ( 0.000 0.000 0.000) 0.000 43.202 ( 0.000 0.000 -0.000) 0.000 46.780 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/294) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.004 16.134 32.394) 36.190 0.875 ( 15.195 39.543 8.503) 43.207 1.640 ( -9.101 72.356 14.234) 74.302 2.974 ( -0.276 2.867 3.297) 4.378 3.143 ( -5.025 19.870 0.608) 20.504 3.698 ( 1.369 -5.860 -0.197) 6.021 4.127 ( 5.370 -15.998 39.270) 42.743 5.631 ( 0.017 -6.961 -0.528) 6.981 5.655 ( -2.008 -1.316 -2.754) 3.653 6.119 ( 11.656 -6.743 -4.072) 14.068 6.244 ( 3.166 5.190 -10.305) 11.965 6.412 ( -13.726 6.378 7.598) 16.935 7.205 ( -4.237 -0.960 2.167) 4.855 7.418 ( -7.970 9.867 -13.529) 18.545 7.626 ( 10.430 -9.459 11.917) 18.446 8.121 ( 4.193 2.277 5.441) 7.237 8.134 ( -2.414 4.592 -0.021) 5.188 9.286 ( -0.156 1.719 -4.626) 4.938 10.335 ( 0.465 1.203 0.526) 1.394 11.328 ( 0.029 10.578 -15.363) 18.653 12.962 ( -0.562 -11.376 -11.845) 16.433 20.454 ( 0.005 -2.786 -0.674) 2.867 20.512 ( 0.067 1.874 0.633) 1.979 20.585 ( 0.130 -0.494 -0.979) 1.104 20.606 ( -0.075 0.259 -0.083) 0.282 24.812 ( 0.012 -7.570 14.842) 16.661 25.508 ( 0.001 -0.178 0.107) 0.207 32.633 ( 0.060 -1.729 -0.117) 1.734 32.685 ( -0.014 -0.914 -0.544) 1.064 42.188 ( -1.189 -1.533 -2.178) 2.917 42.325 ( 1.250 8.628 4.524) 9.822 43.198 ( -1.030 5.085 1.970) 5.550 46.351 ( 0.773 55.744 -114.626) 127.464 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 20.172 10.783 35.564) 42.285 1.646 ( 19.576 36.090 15.215) 43.786 2.479 ( 25.028 49.486 1.349) 55.472 3.010 ( 5.358 0.346 -1.014) 5.464 3.347 ( -0.791 20.768 3.309) 21.044 3.686 ( 2.320 3.565 -0.952) 4.359 4.285 ( 5.225 -1.344 26.368) 26.914 5.490 ( -4.870 -5.695 -4.769) 8.882 5.608 ( 0.609 -4.482 0.890) 4.610 6.174 ( -16.245 3.868 -4.425) 17.275 6.238 ( -0.498 2.038 -3.902) 4.430 6.375 ( 13.267 0.978 -1.642) 13.404 7.117 ( -1.023 -2.219 -5.031) 5.592 7.308 ( -5.240 2.886 -4.355) 7.400 7.828 ( 12.754 -2.589 3.664) 13.520 8.089 ( -6.211 5.868 0.997) 8.602 8.324 ( 6.708 6.684 8.723) 12.875 9.294 ( 1.930 2.924 -6.149) 7.077 10.331 ( -2.334 1.966 -0.818) 3.160 11.314 ( -4.590 2.697 -3.132) 6.177 12.781 ( 1.459 -20.375 -7.770) 21.855 20.447 ( 2.264 -2.665 -1.996) 4.027 20.495 ( -3.346 1.224 1.608) 3.909 20.580 ( 0.011 -0.001 -1.718) 1.718 20.600 ( -0.624 -0.262 0.527) 0.858 24.796 ( -1.755 -2.616 7.809) 8.420 25.505 ( -0.153 -0.232 0.028) 0.279 32.603 ( -1.279 -1.977 -0.316) 2.376 32.666 ( -0.517 -1.280 -0.893) 1.644 42.214 ( 7.350 -2.371 -2.796) 8.213 42.455 ( -1.320 11.911 7.686) 14.237 43.210 ( -3.435 8.630 -3.190) 9.821 46.498 ( 17.371 18.406 -60.718) 65.782 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 17.017 13.155 33.037) 39.421 2.306 ( 10.429 29.407 14.982) 34.612 2.957 ( 8.364 2.866 0.232) 8.845 3.347 ( -14.715 12.412 5.170) 19.932 3.473 ( 27.382 8.852 -3.262) 28.962 3.984 ( 21.290 19.600 -3.157) 29.110 4.538 ( 6.973 5.320 15.416) 17.737 5.370 ( -1.355 -0.616 -5.997) 6.179 5.592 ( 1.067 -8.366 5.553) 10.097 5.887 ( -17.186 10.546 -6.353) 21.141 6.187 ( -4.869 6.301 -9.380) 12.304 6.646 ( 17.256 -3.149 2.838) 17.769 7.083 ( 2.702 -0.093 -8.988) 9.386 7.271 ( 0.112 1.069 -0.691) 1.278 7.941 ( 2.571 -6.942 0.819) 7.448 8.118 ( 2.332 10.111 -1.120) 10.436 8.555 ( 5.004 9.152 12.733) 16.461 9.352 ( 4.679 4.156 -6.373) 8.932 10.290 ( -3.351 1.374 -2.935) 4.661 11.203 ( -8.901 0.167 -0.086) 8.903 12.520 ( -2.883 -24.725 -2.339) 25.002 20.414 ( -3.789 0.407 -0.826) 3.899 20.487 ( 1.348 -0.810 0.130) 1.578 20.555 ( -1.739 0.038 -1.941) 2.607 20.600 ( 1.498 -1.817 0.684) 2.452 24.789 ( -1.001 -0.730 4.508) 4.675 25.499 ( -0.252 -0.233 -0.161) 0.379 32.553 ( -2.056 -1.780 -0.451) 2.757 32.637 ( -0.624 -1.391 -1.110) 1.886 42.343 ( 11.332 -1.793 -1.787) 11.611 42.591 ( -1.541 11.955 9.065) 15.082 43.231 ( -2.216 10.539 -6.997) 12.843 46.608 ( 12.076 3.892 -33.714) 36.023 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 7.657 15.509 28.116) 33.010 2.701 ( 4.833 11.253 11.804) 17.010 3.145 ( 7.578 6.666 -1.100) 10.153 3.187 ( -13.655 10.863 4.270) 17.964 3.801 ( 6.043 5.336 2.833) 8.545 4.540 ( 14.335 9.696 -5.524) 18.166 4.700 ( 11.883 -2.565 2.921) 12.503 5.212 ( -6.868 -12.085 -6.644) 15.406 5.688 ( 8.721 14.364 4.769) 17.468 5.870 ( -0.380 11.777 0.902) 11.818 6.123 ( -3.387 4.969 -8.774) 10.637 6.856 ( 9.341 -4.263 -0.294) 10.272 7.141 ( 6.818 3.525 -5.972) 9.725 7.345 ( 7.946 4.674 -0.598) 9.238 7.876 ( -2.212 -5.060 0.587) 5.554 8.261 ( 5.263 4.970 -1.767) 7.452 8.789 ( 3.372 9.940 12.633) 16.425 9.454 ( 5.788 4.295 -6.010) 9.384 10.219 ( -3.487 0.192 -4.028) 5.331 11.026 ( -11.122 -1.398 -0.195) 11.211 12.206 ( -4.914 -24.172 0.888) 24.682 20.347 ( -4.281 0.958 0.079) 4.387 20.479 ( -2.918 0.363 -0.449) 2.975 20.533 ( 1.853 -1.170 -1.794) 2.832 20.617 ( 2.523 -2.550 0.334) 3.603 24.792 ( -0.532 -0.066 2.871) 2.921 25.491 ( -0.246 -0.171 -0.322) 0.439 32.500 ( -2.113 -1.264 -0.443) 2.502 32.610 ( -0.404 -1.263 -1.100) 1.723 42.531 ( 12.423 -0.405 0.331) 12.434 42.717 ( -1.646 10.371 7.095) 12.673 43.259 ( -2.705 10.543 -6.667) 12.764 46.650 ( 8.591 -2.071 -20.157) 22.010 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -11.043 18.712 12.684) 25.159 2.766 ( -6.774 -4.522 11.368) 13.985 3.196 ( -4.275 23.570 4.694) 24.410 3.445 ( 17.638 3.541 4.433) 18.528 3.881 ( 0.649 -0.318 1.277) 1.467 4.530 ( -5.446 -0.490 -3.813) 6.666 4.690 ( -12.644 -4.095 -8.093) 15.561 5.289 ( 23.136 -4.271 0.688) 23.537 5.969 ( -1.556 9.709 0.807) 9.866 5.988 ( 4.420 7.527 5.091) 10.105 6.099 ( 2.089 2.771 -6.327) 7.216 6.910 ( 1.999 0.394 -0.876) 2.218 7.254 ( 6.696 0.621 -3.591) 7.624 7.664 ( 19.704 6.786 1.074) 20.868 7.800 ( -1.778 -0.260 -2.739) 3.276 8.365 ( 4.227 1.713 -0.868) 4.643 8.956 ( -2.032 7.852 9.037) 12.143 9.552 ( 5.693 2.424 -5.226) 8.099 10.156 ( -1.372 -0.102 -2.769) 3.092 10.803 ( -12.226 -3.525 -0.076) 12.724 11.928 ( -2.981 -18.983 1.138) 19.249 20.298 ( -2.921 1.364 0.481) 3.260 20.417 ( -3.635 -0.057 -0.803) 3.723 20.557 ( 2.420 -0.412 -1.273) 2.765 20.632 ( 2.210 -3.031 0.335) 3.766 24.797 ( -0.393 0.143 1.770) 1.818 25.485 ( -0.139 -0.067 -0.317) 0.352 32.457 ( -1.577 -0.636 -0.284) 1.724 32.590 ( -0.011 -0.983 -0.849) 1.299 42.737 ( 11.958 -1.651 -1.389) 12.151 42.802 ( -4.108 12.050 5.280) 13.783 43.272 ( -3.780 7.861 -1.994) 8.947 46.661 ( 7.081 -5.262 -11.997) 14.891 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -18.172 18.474 3.762) 26.185 2.652 ( -7.256 -0.306 6.318) 9.627 3.367 ( -3.721 15.154 4.033) 16.117 3.797 ( 11.892 7.613 -0.678) 14.136 3.895 ( 3.080 -2.668 7.407) 8.454 4.321 ( -8.348 -8.625 -7.805) 14.318 4.511 ( -3.873 4.560 -0.803) 6.036 5.508 ( 6.594 -10.174 -2.657) 12.412 5.985 ( -2.257 9.832 0.932) 10.131 6.077 ( 0.743 -1.850 -2.278) 3.027 6.163 ( 2.298 2.202 4.054) 5.154 6.963 ( -1.770 8.476 4.520) 9.768 7.335 ( 5.921 -2.617 -4.432) 7.846 7.744 ( 1.089 -4.044 1.618) 4.490 8.077 ( 15.900 8.396 -5.578) 18.826 8.421 ( 2.862 -2.698 -1.516) 4.216 8.912 ( -12.586 1.861 3.367) 13.161 9.672 ( 8.110 1.504 -2.091) 8.510 10.144 ( -0.202 1.493 0.329) 1.543 10.585 ( -8.253 -2.177 0.523) 8.551 11.765 ( 2.048 -12.695 -0.989) 12.897 20.282 ( -1.376 1.990 0.361) 2.446 20.360 ( -2.361 0.138 -0.462) 2.410 20.585 ( 1.639 -0.330 -0.759) 1.837 20.636 ( 1.910 -3.194 0.432) 3.746 24.798 ( -0.483 0.131 0.826) 0.966 25.482 ( 0.006 0.033 -0.134) 0.138 32.433 ( -0.676 -0.028 -0.051) 0.679 32.582 ( 0.417 -0.669 -0.428) 0.897 42.778 ( -2.100 3.666 -8.860) 9.815 42.950 ( 3.087 7.116 6.297) 9.991 43.268 ( -3.983 3.765 5.441) 7.723 46.671 ( 6.795 -6.896 -6.167) 11.479 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -15.856 13.275 2.377) 20.815 2.588 ( -4.210 2.705 -1.158) 5.136 3.398 ( -7.677 14.526 -2.448) 16.611 3.860 ( -4.376 -4.126 1.686) 6.246 3.963 ( -3.822 7.315 -2.208) 8.544 4.195 ( 4.141 -6.245 -1.666) 7.677 4.596 ( 5.067 5.670 8.663) 11.527 5.332 ( -4.961 -15.046 -5.293) 16.703 5.973 ( -4.313 -3.754 -5.552) 7.970 6.100 ( 1.544 4.942 1.525) 5.398 6.238 ( -0.288 1.488 9.175) 9.299 7.043 ( -3.147 9.210 6.707) 11.819 7.347 ( 2.059 -1.940 -7.271) 7.802 7.764 ( 2.013 -0.995 3.854) 4.460 8.216 ( -5.558 -3.550 -5.084) 8.327 8.361 ( 0.097 -6.057 -1.919) 6.354 8.697 ( -9.377 -1.950 -2.143) 9.815 9.739 ( -1.467 -1.210 0.375) 1.938 10.206 ( 2.189 4.687 3.202) 6.083 10.562 ( 5.122 4.427 0.652) 6.802 11.740 ( 8.917 -8.746 -3.883) 13.080 20.282 ( -1.318 2.785 -0.923) 3.216 20.352 ( 0.863 0.802 1.020) 1.558 20.585 ( -0.134 -1.820 0.276) 1.846 20.649 ( 2.402 -2.183 0.067) 3.247 24.791 ( -0.646 0.037 -0.003) 0.647 25.484 ( 0.128 0.096 0.097) 0.187 32.434 ( 0.398 0.508 0.195) 0.675 32.586 ( 0.809 -0.401 -0.021) 0.904 42.694 ( -5.842 4.961 -12.478) 14.644 43.025 ( -2.712 0.134 4.749) 5.471 43.294 ( -2.535 4.884 11.138) 12.423 46.698 ( 6.955 -7.177 -1.363) 10.087 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -18.570 2.630 -6.135) 19.733 2.565 ( 0.714 3.152 -1.206) 3.450 3.424 ( -12.958 26.404 -5.900) 29.998 3.702 ( -10.057 -0.008 -2.023) 10.258 3.848 ( -9.197 -8.007 1.675) 12.308 4.205 ( 5.308 -8.376 2.146) 10.146 4.761 ( 3.103 -3.049 6.946) 8.196 5.158 ( 2.322 -4.415 -3.127) 5.888 5.807 ( -6.661 -5.652 -4.649) 9.896 6.146 ( -0.876 0.283 5.635) 5.710 6.229 ( -9.975 3.499 7.353) 12.877 7.072 ( -1.851 -1.070 0.908) 2.322 7.330 ( -0.160 5.510 -6.136) 8.248 7.737 ( -13.971 -8.916 11.052) 19.920 7.893 ( -7.169 -3.011 -7.731) 10.965 8.318 ( -3.183 -0.936 -1.501) 3.641 8.555 ( -2.031 -5.527 -5.713) 8.205 9.656 ( -5.968 -1.641 1.929) 6.483 10.272 ( -0.480 2.647 3.636) 4.523 10.801 ( 10.482 9.991 1.860) 14.600 11.865 ( 18.214 -6.589 -6.477) 20.423 20.293 ( -0.345 3.950 -1.313) 4.176 20.401 ( 2.538 1.178 1.520) 3.185 20.560 ( -0.343 -2.559 0.803) 2.704 20.664 ( 1.538 -2.112 0.094) 2.614 24.778 ( -0.744 -0.039 -0.656) 0.992 25.489 ( 0.207 0.116 0.225) 0.327 32.458 ( 1.468 0.904 0.400) 1.770 32.600 ( 1.153 -0.187 0.211) 1.187 42.564 ( -7.096 5.076 -13.249) 15.863 42.932 ( -6.931 -6.621 6.326) 11.485 43.361 ( -4.008 6.858 10.400) 13.086 46.753 ( 6.805 -6.230 2.967) 9.692 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -23.591 -3.485 -11.907) 26.655 2.637 ( 0.701 1.003 1.290) 1.778 3.168 ( -31.621 7.737 -6.172) 33.134 3.479 ( -7.547 -2.579 -4.994) 9.410 3.804 ( -3.448 9.511 5.475) 11.503 4.162 ( -0.095 -13.640 -1.110) 13.685 4.654 ( -10.177 -11.182 2.105) 15.266 5.275 ( 9.283 1.567 -1.191) 9.489 5.566 ( -12.942 -4.659 0.219) 13.757 6.095 ( -12.934 10.475 4.278) 17.185 6.154 ( -0.739 -4.828 11.122) 12.147 6.953 ( -4.571 -6.253 -8.881) 11.784 7.383 ( -6.808 -3.971 2.185) 8.178 7.428 ( -2.928 7.142 -3.882) 8.640 7.792 ( -4.652 -6.267 1.776) 8.004 8.254 ( -3.829 1.692 1.764) 4.543 8.433 ( -3.588 -5.042 -5.010) 7.962 9.542 ( -6.577 -1.770 1.918) 7.076 10.301 ( -0.215 1.165 3.557) 3.749 11.051 ( 5.923 9.779 2.424) 11.687 12.150 ( 25.257 -4.480 -7.134) 26.625 20.336 ( 0.829 5.226 -1.199) 5.425 20.462 ( 2.430 0.471 1.360) 2.824 20.540 ( 0.465 -2.353 1.159) 2.664 20.657 ( 0.296 -2.449 0.051) 2.467 24.760 ( -0.720 -0.059 -1.101) 1.317 25.495 ( 0.245 0.100 0.198) 0.331 32.502 ( 2.309 1.019 0.468) 2.567 32.623 ( 1.424 -0.005 0.248) 1.446 42.431 ( -6.585 4.991 -11.773) 14.383 42.752 ( -8.874 -9.187 7.083) 14.606 43.381 ( -6.498 5.730 7.673) 11.573 46.835 ( 5.958 -4.386 6.878) 10.102 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -26.302 -1.174 -9.792) 28.090 2.249 ( -37.874 -11.550 2.014) 39.647 2.965 ( 1.842 -1.458 -1.959) 3.059 3.298 ( -16.009 9.382 -9.568) 20.877 3.701 ( -14.470 -11.465 5.806) 19.353 3.994 ( -14.327 5.277 -8.361) 17.408 4.157 ( -27.133 -11.811 5.688) 30.134 5.384 ( 4.583 0.167 5.392) 7.079 5.507 ( 7.195 0.486 -4.110) 8.301 6.085 ( -3.658 6.938 7.131) 10.600 6.158 ( -0.633 -1.219 9.366) 9.466 6.743 ( -6.552 -5.578 -12.214) 14.941 7.230 ( -4.401 2.065 -5.193) 7.114 7.500 ( 4.486 -8.606 -4.064) 10.522 7.673 ( -7.358 6.890 5.991) 11.726 8.207 ( -6.686 -1.305 5.339) 8.655 8.302 ( -3.325 -2.081 -3.261) 5.101 9.430 ( -5.644 -1.110 1.037) 5.845 10.324 ( 0.114 0.332 2.615) 2.638 11.223 ( 4.381 5.940 2.077) 7.668 12.515 ( 24.656 -2.137 -5.047) 25.258 20.403 ( 1.261 5.793 -0.957) 6.005 20.488 ( 1.149 -2.684 1.089) 3.116 20.553 ( 1.670 -0.231 1.375) 2.175 20.630 ( -0.481 -2.155 -0.403) 2.245 24.742 ( -0.630 -0.041 -1.239) 1.390 25.501 ( 0.244 0.059 0.087) 0.266 32.556 ( 2.674 0.726 0.329) 2.790 32.649 ( 1.508 0.098 0.162) 1.520 42.328 ( -5.065 4.981 -8.675) 11.213 42.544 ( -9.194 -8.539 6.368) 14.071 43.335 ( -7.409 3.141 3.881) 8.935 46.935 ( 4.726 -2.081 9.148) 10.505 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -26.325 8.127 3.651) 27.792 1.465 ( -42.690 -8.381 7.821) 44.203 2.527 ( -56.287 0.161 -6.805) 56.697 3.072 ( -9.762 2.030 -5.914) 11.593 3.331 ( -16.232 -2.947 -2.528) 16.690 3.684 ( -2.760 -1.809 3.433) 4.762 3.989 ( -9.515 4.886 6.403) 12.466 5.518 ( 7.105 0.656 0.929) 7.195 5.621 ( 5.341 2.583 -2.330) 6.374 6.100 ( 5.800 -14.193 8.686) 17.621 6.249 ( -1.507 13.640 4.700) 14.506 6.509 ( -8.183 -3.665 -12.643) 15.499 7.201 ( -0.830 3.635 -5.328) 6.503 7.397 ( 3.459 -10.721 -7.156) 13.346 7.715 ( -8.610 11.796 10.567) 18.026 8.080 ( -2.061 -6.364 -0.260) 6.694 8.239 ( -5.861 2.067 2.254) 6.610 9.349 ( -3.431 0.001 -0.385) 3.452 10.332 ( -0.363 -0.103 0.555) 0.671 11.337 ( 4.753 0.089 -0.039) 4.754 12.858 ( 18.410 -0.082 -0.595) 18.420 20.467 ( 0.924 0.522 1.046) 1.490 20.478 ( 0.762 0.056 -0.969) 1.234 20.585 ( 1.010 0.148 1.033) 1.452 20.605 ( -0.222 -0.744 -0.933) 1.213 24.727 ( -0.535 -0.000 0.009) 0.535 25.505 ( 0.203 0.000 0.003) 0.203 32.604 ( 2.380 0.037 0.067) 2.382 32.674 ( 1.256 -0.003 -0.019) 1.256 42.269 ( -3.279 3.049 -3.246) 5.530 42.363 ( -7.641 -3.243 3.203) 8.897 43.242 ( -6.063 0.152 -0.983) 6.144 47.032 ( 3.597 0.040 0.784) 3.681 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -8.228 16.384 34.586) 39.145 1.411 ( -32.679 29.083 0.794) 43.754 2.675 ( -24.825 44.117 12.222) 52.076 3.123 ( -4.947 14.654 0.851) 15.490 3.425 ( -6.040 15.951 6.395) 18.215 3.626 ( -1.733 1.322 0.147) 2.185 4.117 ( 2.392 -1.224 18.694) 18.886 5.488 ( 8.225 -5.149 -2.596) 10.045 5.650 ( 0.900 -2.667 0.799) 2.926 5.933 ( -3.798 -9.605 -12.604) 16.296 6.156 ( 8.757 6.793 -6.695) 12.948 6.684 ( -7.894 5.302 9.630) 13.535 7.252 ( 1.420 3.556 0.556) 3.869 7.511 ( -3.419 -5.094 2.821) 6.753 7.546 ( 0.134 7.871 -6.116) 9.969 8.105 ( -0.511 0.997 2.957) 3.162 8.240 ( -3.685 3.655 2.105) 5.600 9.305 ( -2.274 3.534 -5.464) 6.894 10.317 ( 2.288 1.467 -1.361) 3.040 11.315 ( 4.517 2.908 -3.097) 6.200 12.797 ( -1.581 -20.104 -7.004) 21.348 20.443 ( -1.554 -2.475 -1.503) 3.286 20.496 ( 3.437 1.800 1.009) 4.009 20.564 ( 0.705 -1.324 -1.611) 2.201 20.614 ( -0.817 0.111 0.319) 0.884 24.796 ( 1.756 -2.620 7.783) 8.398 25.505 ( 0.157 -0.237 0.025) 0.285 32.600 ( 1.354 -1.985 -0.473) 2.449 32.667 ( 0.492 -1.240 -0.786) 1.548 42.261 ( -9.284 -0.976 -2.378) 9.633 42.409 ( 2.788 10.537 7.448) 13.201 43.239 ( 3.513 9.310 -1.469) 10.058 46.473 ( -17.090 17.880 -62.311) 67.040 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -0.221 18.485 29.828) 35.092 1.684 ( 16.394 34.355 7.616) 38.820 2.921 ( -4.752 38.896 11.045) 40.712 3.018 ( -10.132 -5.100 1.919) 11.504 3.586 ( 3.073 23.752 -1.887) 24.024 3.781 ( -2.103 17.519 8.482) 19.577 4.304 ( 4.231 6.412 20.161) 21.575 5.488 ( -3.874 -4.716 -4.010) 7.303 5.599 ( -1.617 -2.066 -1.143) 2.861 5.918 ( 18.067 -8.892 -1.560) 20.197 6.258 ( 0.241 7.735 -12.933) 15.071 6.583 ( -12.218 1.448 7.598) 14.461 7.143 ( -6.652 -3.806 -1.366) 7.785 7.492 ( -10.670 8.811 -9.634) 16.861 7.602 ( 10.365 -0.437 1.634) 10.502 8.213 ( -2.480 3.642 -0.515) 4.436 8.284 ( 9.621 5.166 11.307) 15.719 9.286 ( -0.744 4.553 -6.535) 8.000 10.368 ( 0.967 1.338 0.605) 1.758 11.379 ( -0.137 1.547 1.354) 2.061 12.482 ( -0.868 -23.229 -14.192) 27.235 20.378 ( -0.076 -4.003 -0.771) 4.077 20.547 ( -0.758 -0.182 -0.192) 0.803 20.562 ( 0.645 -0.354 -0.084) 0.740 20.618 ( 0.474 1.822 -0.611) 1.979 24.821 ( 0.020 -3.099 7.121) 7.766 25.504 ( 0.005 -0.340 0.043) 0.342 32.589 ( 0.085 -2.240 -0.427) 2.282 32.651 ( -0.075 -1.733 -1.071) 2.038 42.128 ( -1.956 -1.546 -3.159) 4.025 42.636 ( 2.020 15.290 10.025) 18.395 43.354 ( -1.855 7.809 2.982) 8.563 46.217 ( 1.441 23.654 -61.894) 66.276 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 15.812 14.679 32.532) 39.036 2.453 ( 25.864 32.152 9.873) 42.429 2.859 ( 3.506 -8.506 -2.754) 9.604 3.271 ( 2.151 23.261 9.211) 25.111 3.857 ( -13.859 22.550 2.894) 26.626 3.878 ( 7.726 11.817 1.093) 14.161 4.563 ( 3.312 9.266 15.071) 17.999 5.361 ( -2.284 -0.990 -4.265) 4.939 5.585 ( 0.285 -0.100 7.547) 7.553 6.114 ( -3.163 1.665 -13.001) 13.483 6.239 ( 10.296 1.388 -3.005) 10.815 6.452 ( -6.163 4.623 0.552) 7.724 7.049 ( -1.415 2.158 -4.947) 5.579 7.354 ( -7.812 5.864 -5.091) 11.015 7.767 ( 9.672 -3.384 -0.165) 10.248 8.192 ( -2.413 4.452 -1.849) 5.391 8.582 ( 9.372 6.106 13.911) 17.850 9.311 ( 1.819 5.939 -6.749) 9.173 10.362 ( -3.305 1.669 -0.579) 3.748 11.344 ( -5.733 -0.464 3.252) 6.608 12.190 ( 3.328 -28.569 -12.011) 31.169 20.363 ( 2.994 -3.751 -1.395) 4.998 20.517 ( -2.151 -0.184 -0.019) 2.159 20.558 ( 0.556 -1.443 -0.341) 1.583 20.620 ( -2.840 2.300 -0.137) 3.657 24.821 ( -0.862 -1.532 5.134) 5.427 25.499 ( -0.154 -0.353 -0.114) 0.402 32.558 ( -1.008 -2.113 -0.332) 2.364 32.623 ( -0.333 -1.844 -1.371) 2.322 42.140 ( 6.905 -1.712 -3.061) 7.745 42.847 ( -2.874 17.060 12.649) 21.432 43.384 ( -4.632 10.626 -0.624) 11.609 46.249 ( 12.063 10.475 -44.769) 47.534 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 15.209 12.340 28.678) 34.728 2.828 ( 7.176 0.716 5.985) 9.372 3.182 ( -0.497 25.560 12.342) 28.388 3.612 ( 17.553 5.232 7.021) 19.616 3.812 ( -14.257 28.629 -2.859) 32.110 4.112 ( 17.761 -3.514 -1.935) 18.208 4.639 ( -2.401 -2.439 1.021) 3.571 5.275 ( -9.485 -5.612 0.386) 11.028 5.727 ( 5.347 11.939 6.716) 14.705 5.983 ( -2.783 10.690 -12.702) 16.833 6.289 ( -8.183 6.391 2.133) 10.600 6.588 ( 15.569 -2.443 -3.757) 16.201 7.088 ( 3.053 7.803 -6.444) 10.571 7.323 ( 0.192 6.307 -0.696) 6.348 7.834 ( 2.478 -3.524 -0.037) 4.308 8.221 ( 2.411 3.969 -3.034) 5.547 8.841 ( 6.958 4.609 12.954) 15.410 9.391 ( 3.997 6.380 -6.097) 9.688 10.293 ( -5.506 1.718 -2.551) 6.307 11.214 ( -10.792 0.219 0.361) 10.800 11.909 ( 4.210 -32.464 -5.048) 33.122 20.372 ( 1.993 -2.172 -2.226) 3.694 20.485 ( -0.725 -0.622 0.111) 0.962 20.550 ( -0.895 -0.076 -1.047) 1.379 20.576 ( -2.711 -0.245 1.240) 2.991 24.819 ( -0.850 -0.437 3.583) 3.708 25.491 ( -0.210 -0.270 -0.307) 0.460 32.515 ( -1.576 -1.587 -0.265) 2.253 32.593 ( -0.208 -1.668 -1.416) 2.198 42.279 ( 12.593 -1.554 -2.385) 12.910 42.997 ( -6.558 17.541 11.555) 22.005 43.416 ( -4.312 12.329 -1.594) 13.158 46.316 ( 12.503 -0.664 -29.995) 32.503 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 5.701 8.491 19.734) 22.226 2.995 ( 1.377 2.339 8.894) 9.299 3.342 ( 1.310 12.615 14.321) 19.130 3.698 ( -17.914 32.812 -2.860) 37.493 3.917 ( -2.949 0.702 5.333) 6.135 4.516 ( 1.599 -10.374 -3.867) 11.186 4.631 ( 32.890 5.415 -3.326) 33.498 4.939 ( -15.132 -7.848 -6.576) 18.271 5.965 ( 7.681 5.863 0.683) 9.687 6.077 ( 1.248 10.063 -0.252) 10.143 6.213 ( -9.358 7.353 1.337) 11.976 6.782 ( 12.960 -1.000 -1.688) 13.107 7.167 ( 3.335 3.180 -5.791) 7.401 7.507 ( 8.607 9.465 3.238) 13.197 7.824 ( -0.684 3.917 -3.444) 5.260 8.293 ( 4.226 0.655 -2.116) 4.771 9.035 ( 4.644 2.596 9.915) 11.252 9.479 ( 3.358 4.209 -6.217) 8.225 10.203 ( -4.750 1.811 -2.585) 5.703 10.991 ( -13.681 -2.232 -1.455) 13.938 11.674 ( 5.164 -28.205 -0.774) 28.685 20.356 ( -1.429 0.549 -1.374) 2.057 20.470 ( -1.177 -1.813 -1.993) 2.940 20.509 ( -1.316 1.031 1.118) 2.011 20.570 ( 1.807 -2.640 0.721) 3.279 24.819 ( -0.774 0.048 2.410) 2.532 25.484 ( -0.130 -0.124 -0.368) 0.409 32.475 ( -1.552 -0.872 -0.166) 1.788 32.571 ( 0.163 -1.349 -1.165) 1.790 42.487 ( 14.144 -1.058 -1.904) 14.310 43.092 ( -8.027 18.751 5.073) 21.019 43.448 ( -5.735 9.977 3.909) 12.154 46.350 ( 11.714 -7.589 -19.678) 24.126 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( -8.069 -0.013 8.896) 12.010 3.043 ( -11.611 12.994 13.008) 21.745 3.645 ( 2.213 17.560 3.763) 18.095 3.745 ( -4.760 20.611 -3.832) 21.498 3.878 ( -0.183 -0.896 9.113) 9.159 4.338 ( -6.723 -9.279 -5.719) 12.806 4.618 ( -7.854 1.116 -4.785) 9.264 5.193 ( 22.832 -2.156 -1.113) 22.960 6.059 ( -0.474 0.638 -3.997) 4.076 6.110 ( -3.809 3.477 -1.765) 5.451 6.185 ( -0.743 2.891 7.244) 7.835 7.024 ( 11.498 6.285 3.030) 13.449 7.223 ( 1.558 4.589 -3.655) 6.070 7.651 ( 4.053 -5.811 4.433) 8.357 7.956 ( 7.399 15.813 -7.767) 19.108 8.328 ( 2.534 -4.448 -2.423) 5.663 9.100 ( -4.756 -0.528 4.632) 6.660 9.541 ( 6.010 1.862 -4.559) 7.770 10.171 ( -0.759 2.741 0.284) 2.858 10.732 ( -11.671 -3.615 -0.515) 12.229 11.528 ( 5.802 -20.317 -1.289) 21.169 20.336 ( -1.835 2.305 -0.404) 2.974 20.405 ( -3.039 -0.725 -0.865) 3.242 20.533 ( 2.578 -0.647 -0.469) 2.699 20.576 ( 1.536 -3.202 0.916) 3.668 24.817 ( -0.842 0.166 1.414) 1.654 25.481 ( 0.023 0.018 -0.243) 0.244 32.447 ( -1.048 -0.156 -0.031) 1.060 32.561 ( 0.603 -1.036 -0.732) 1.404 42.682 ( 9.855 0.474 -3.643) 10.518 43.143 ( -7.785 17.151 -1.674) 18.909 43.459 ( -7.016 6.766 11.865) 15.355 46.373 ( 11.836 -11.134 -12.153) 20.292 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -6.804 1.530 5.665) 8.985 2.933 ( -22.598 14.859 8.662) 28.399 3.600 ( -11.897 6.115 -8.078) 15.626 3.836 ( 2.438 -1.091 -0.691) 2.759 4.074 ( 4.820 12.322 1.694) 13.339 4.185 ( -3.963 6.242 -1.947) 7.646 4.612 ( 2.778 1.620 7.387) 8.056 5.296 ( -3.521 -5.514 -2.618) 7.047 5.970 ( -4.176 -4.751 -3.689) 7.323 6.110 ( 1.702 3.036 -0.460) 3.511 6.258 ( 3.251 -1.078 7.805) 8.523 7.202 ( 3.479 -2.753 -8.646) 9.718 7.280 ( -3.874 13.555 7.010) 15.745 7.717 ( 6.689 -0.525 6.025) 9.018 8.153 ( 2.656 2.599 -7.959) 8.784 8.260 ( 3.010 -6.800 -3.102) 8.058 8.915 ( -14.685 -2.391 -0.849) 14.902 9.675 ( 7.460 0.228 -0.897) 7.518 10.226 ( 2.271 3.883 3.122) 5.476 10.581 ( -2.953 1.575 0.353) 3.366 11.455 ( 7.661 -15.723 -3.462) 17.830 20.335 ( -1.563 3.254 -0.889) 3.718 20.364 ( -0.798 0.480 0.536) 1.075 20.562 ( 0.644 -1.884 -0.004) 1.991 20.571 ( 2.996 -3.239 0.327) 4.424 24.808 ( -0.994 0.116 0.579) 1.156 25.483 ( 0.153 0.096 -0.036) 0.184 32.438 ( -0.225 0.451 0.103) 0.514 32.563 ( 0.999 -0.804 -0.310) 1.319 42.761 ( -0.148 5.431 -9.225) 10.706 43.130 ( -6.797 4.533 1.640) 8.333 43.490 ( -5.455 8.742 12.889) 16.501 46.419 ( 12.515 -11.331 -6.155) 17.969 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -20.408 4.158 -0.341) 20.830 2.764 ( -13.420 10.979 7.012) 18.703 3.438 ( 1.664 -12.679 -5.600) 13.960 3.851 ( -0.299 8.024 -4.767) 9.338 4.146 ( -13.814 15.580 -3.746) 21.156 4.221 ( -3.883 8.419 3.182) 9.802 4.719 ( 2.122 -5.411 10.643) 12.127 5.116 ( -4.753 -2.649 -2.587) 6.025 5.834 ( -4.291 -3.611 -1.891) 5.918 6.166 ( 0.993 -0.616 4.778) 4.919 6.344 ( 3.109 0.179 3.815) 4.925 7.081 ( -5.979 -6.299 -5.537) 10.300 7.349 ( -0.023 6.551 -4.622) 8.018 7.870 ( -1.694 -4.642 12.230) 13.190 7.939 ( -7.030 -3.675 -5.411) 9.602 8.346 ( 2.547 3.404 -3.688) 5.628 8.621 ( -13.646 -2.438 -2.815) 14.145 9.715 ( -1.341 -1.611 0.143) 2.101 10.306 ( 0.883 1.109 2.688) 3.039 10.735 ( 11.743 11.969 2.753) 16.993 11.447 ( 12.656 -15.247 -5.861) 20.664 20.340 ( -0.703 3.967 -1.368) 4.255 20.392 ( 1.173 2.081 1.369) 2.753 20.536 ( 0.024 -4.213 1.382) 4.434 20.597 ( 2.755 -2.345 -0.796) 3.704 24.792 ( -1.108 0.034 -0.005) 1.108 25.487 ( 0.217 0.102 0.101) 0.260 32.449 ( 0.745 0.811 0.193) 1.118 32.575 ( 1.327 -0.592 -0.052) 1.454 42.704 ( -7.618 9.674 -13.634) 18.371 43.021 ( -7.583 -7.005 9.144) 13.791 43.555 ( -4.204 8.673 7.802) 12.400 46.516 ( 12.654 -8.448 -1.328) 15.273 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -27.666 2.885 -1.551) 27.860 2.739 ( -6.115 10.680 3.066) 12.683 3.261 ( -1.069 -28.087 0.085) 28.107 3.838 ( -18.114 6.092 -3.217) 19.380 4.045 ( -4.774 26.381 -7.915) 27.954 4.169 ( -12.713 0.283 7.221) 14.623 4.650 ( -1.438 -8.846 3.555) 9.641 5.146 ( 6.677 1.219 -2.195) 7.134 5.732 ( -7.834 0.587 1.636) 8.024 6.172 ( -1.191 -4.741 7.927) 9.313 6.371 ( -4.058 4.496 0.605) 6.087 6.866 ( -4.855 -10.620 -6.974) 13.601 7.384 ( 1.356 3.439 -5.315) 6.474 7.557 ( -12.906 -9.574 -3.080) 16.362 7.935 ( -8.973 4.075 4.846) 10.982 8.334 ( -2.143 3.021 -1.144) 3.877 8.467 ( -5.242 -0.315 2.221) 5.702 9.638 ( -5.437 -1.225 0.146) 5.575 10.320 ( 0.076 -0.734 1.674) 1.830 11.080 ( 6.649 13.616 3.757) 15.611 11.580 ( 26.186 -13.031 -6.245) 29.909 20.379 ( 0.526 5.772 -1.453) 5.976 20.440 ( 1.284 0.836 1.308) 2.014 20.507 ( 0.822 -3.867 1.899) 4.385 20.606 ( 1.820 -2.743 -0.969) 3.431 24.772 ( -1.114 -0.010 -0.244) 1.140 25.492 ( 0.236 0.061 0.100) 0.264 32.479 ( 1.668 0.744 0.172) 1.834 32.596 ( 1.587 -0.307 0.022) 1.617 42.580 ( -9.495 9.702 -12.763) 18.632 42.847 ( -8.663 -10.343 10.520) 17.108 43.570 ( -5.608 4.849 3.146) 8.054 46.662 ( 11.444 -3.904 1.749) 12.218 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -28.377 5.701 3.016) 29.101 2.646 ( -19.466 -10.281 3.919) 22.360 2.960 ( -2.415 -5.199 3.406) 6.668 3.563 ( -15.578 0.890 -4.345) 16.197 3.830 ( -15.023 -12.251 0.668) 19.397 4.251 ( -5.899 26.462 -3.932) 27.395 4.545 ( -13.368 0.250 0.804) 13.394 5.277 ( 9.890 0.797 -0.284) 9.926 5.557 ( -12.612 0.873 2.114) 12.818 6.094 ( -3.581 -12.125 6.495) 14.214 6.355 ( -4.192 8.734 0.042) 9.687 6.674 ( -3.265 -6.481 -6.350) 9.643 7.302 ( -6.766 -2.240 -3.707) 8.033 7.383 ( -1.257 -2.196 -6.094) 6.598 7.860 ( -3.619 7.017 -0.625) 7.920 8.315 ( -4.890 -2.556 -3.092) 6.325 8.391 ( -6.769 2.839 12.965) 14.898 9.527 ( -6.381 -0.174 -0.834) 6.437 10.324 ( 0.710 -1.067 0.599) 1.415 11.208 ( 2.389 0.260 -0.773) 2.524 12.008 ( 30.504 -0.198 -0.062) 30.505 20.434 ( 1.518 -3.016 -0.247) 3.386 20.451 ( -0.007 4.820 0.110) 4.821 20.528 ( 2.121 -0.182 1.803) 2.790 20.599 ( 0.888 -1.761 -1.274) 2.348 24.753 ( -0.997 -0.000 0.008) 0.997 25.497 ( 0.241 0.003 0.009) 0.241 32.518 ( 2.345 0.190 -0.000) 2.352 32.622 ( 1.702 -0.041 -0.036) 1.702 42.457 ( -8.154 6.401 -7.177) 12.608 42.654 ( -8.937 -6.894 6.813) 13.184 43.489 ( -7.355 0.360 -1.300) 7.478 46.828 ( 8.889 0.151 1.304) 8.985 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -26.475 6.351 14.786) 30.982 2.111 ( -31.891 -2.433 10.176) 33.564 2.975 ( -6.905 7.096 -2.568) 10.229 3.264 ( -5.466 -17.153 4.205) 18.488 3.570 ( -14.346 11.888 -8.275) 20.387 4.063 ( -37.243 9.739 -5.622) 38.903 4.320 ( -13.655 8.499 10.413) 19.160 5.445 ( -0.853 -0.881 -2.016) 2.360 5.531 ( 13.002 8.561 0.926) 15.594 5.901 ( -1.152 -20.418 2.981) 20.667 6.354 ( -1.196 -0.183 -8.896) 8.978 6.589 ( -5.712 7.872 2.788) 10.118 7.213 ( -1.767 1.056 -6.525) 6.842 7.297 ( -0.777 -0.473 -3.703) 3.813 7.946 ( 2.388 10.223 -0.870) 10.535 8.101 ( -12.596 -7.849 3.306) 15.205 8.379 ( -5.815 1.563 8.860) 10.712 9.423 ( -5.424 1.300 -2.290) 6.030 10.324 ( 0.556 -1.027 -1.479) 1.885 11.222 ( 4.481 -5.700 -2.753) 7.756 12.509 ( 24.653 2.185 4.301) 25.120 20.409 ( 1.444 -5.563 1.216) 5.874 20.501 ( 0.292 3.512 -1.649) 3.891 20.565 ( 1.598 -0.723 0.787) 1.922 20.602 ( 0.257 1.901 -0.968) 2.149 24.742 ( -0.630 0.038 1.256) 1.406 25.501 ( 0.241 -0.060 -0.076) 0.259 32.558 ( 2.600 -0.643 -0.232) 2.688 32.649 ( 1.535 -0.099 -0.232) 1.555 42.354 ( -5.895 -1.032 2.637) 6.540 42.509 ( -7.989 4.105 -0.829) 9.020 43.330 ( -7.477 -2.316 -5.735) 9.703 46.946 ( 4.461 1.841 -7.338) 8.782 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -12.195 13.711 31.304) 36.286 2.252 ( -30.786 23.563 2.365) 38.841 2.987 ( -1.997 -3.756 1.002) 4.370 3.437 ( 0.347 18.570 6.333) 19.623 3.668 ( -5.610 7.234 3.505) 9.802 4.113 ( -19.538 33.712 4.676) 39.244 4.183 ( -8.040 -2.602 10.600) 13.557 5.310 ( 2.084 -2.774 -4.162) 5.419 5.554 ( 5.881 -6.169 1.592) 8.671 5.918 ( -8.124 -1.512 -13.730) 16.026 6.040 ( 9.023 8.864 -5.868) 13.943 6.895 ( -6.926 3.217 7.412) 10.642 7.259 ( 0.152 3.036 -1.949) 3.612 7.513 ( 10.398 12.908 -5.635) 17.507 7.632 ( -13.490 -7.084 4.613) 15.920 8.170 ( -2.538 3.522 0.241) 4.348 8.368 ( -6.860 0.819 5.000) 8.529 9.375 ( -4.294 4.999 -5.566) 8.626 10.282 ( 2.055 1.241 -2.789) 3.680 11.208 ( 8.948 0.626 -0.228) 8.973 12.537 ( 3.533 -24.490 -1.777) 24.808 20.411 ( 4.064 1.104 -0.046) 4.212 20.477 ( -0.528 -1.393 -0.255) 1.511 20.524 ( 0.525 -2.036 -2.358) 3.160 20.636 ( -1.547 -0.222 0.387) 1.610 24.789 ( 0.988 -0.741 4.480) 4.647 25.498 ( 0.251 -0.241 -0.164) 0.385 32.549 ( 2.063 -1.836 -0.613) 2.829 32.640 ( 0.656 -1.299 -0.937) 1.731 42.432 ( -10.971 0.760 0.738) 11.022 42.522 ( 0.178 10.014 7.586) 12.564 43.257 ( 4.156 11.574 -6.157) 13.753 46.571 ( -12.825 2.585 -35.238) 37.588 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -12.087 16.113 30.344) 36.421 1.978 ( -16.661 25.279 2.848) 30.410 3.039 ( 7.689 -0.156 0.593) 7.713 3.301 ( -18.203 3.838 5.709) 19.459 3.866 ( -0.910 8.266 9.398) 12.549 4.083 ( -5.955 32.000 4.895) 32.915 4.529 ( 3.689 30.178 14.468) 33.669 5.372 ( 10.835 -4.259 -2.728) 11.958 5.606 ( 3.923 -1.665 0.883) 4.352 5.668 ( -7.800 -3.358 -11.130) 14.000 6.226 ( 5.922 8.579 -9.176) 13.887 6.779 ( -9.753 -5.450 8.058) 13.775 7.213 ( -4.365 -1.965 -4.201) 6.369 7.472 ( -1.174 -0.974 1.807) 2.365 7.731 ( -2.934 16.233 -10.632) 19.626 8.201 ( 5.519 2.488 9.066) 10.902 8.324 ( -3.532 2.419 3.304) 5.407 9.336 ( -2.844 5.791 -6.262) 8.991 10.336 ( 3.464 1.135 -0.365) 3.664 11.353 ( 5.509 0.446 2.593) 6.105 12.212 ( -3.915 -29.284 -10.904) 31.492 20.365 ( -3.068 -3.776 -1.195) 5.010 20.516 ( 1.355 -1.574 -1.948) 2.848 20.554 ( 3.679 2.169 1.363) 4.484 20.612 ( -0.095 -0.105 -0.302) 0.333 24.820 ( 0.882 -1.526 5.103) 5.399 25.498 ( 0.162 -0.354 -0.114) 0.405 32.555 ( 1.166 -1.896 -0.597) 2.304 32.626 ( 0.195 -1.875 -1.116) 2.191 42.207 ( -10.347 -1.153 -3.319) 10.927 42.787 ( 5.304 16.521 13.685) 22.099 43.436 ( 3.438 10.557 0.686) 11.124 46.202 ( -10.326 10.545 -46.602) 48.883 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 5.004 13.549 18.890) 23.779 2.333 ( 14.976 23.141 10.110) 29.360 2.881 ( -11.703 -5.725 3.171) 13.408 3.476 ( 10.396 13.810 10.942) 20.458 3.888 ( -6.138 7.211 4.317) 10.407 4.336 ( -5.744 23.437 5.475) 24.743 4.831 ( -8.015 20.666 10.480) 24.518 5.387 ( -3.518 -1.953 -3.605) 5.402 5.603 ( 5.486 2.639 4.582) 7.620 5.808 ( 18.646 3.186 -2.130) 19.036 6.274 ( -3.985 8.337 -14.335) 17.055 6.604 ( -6.952 -3.656 4.201) 8.908 7.112 ( -4.701 3.136 -3.491) 6.642 7.479 ( 0.197 -1.213 -4.918) 5.069 7.690 ( -5.344 11.569 -6.515) 14.313 8.275 ( -4.115 2.689 1.199) 5.060 8.501 ( 13.124 2.467 13.321) 18.862 9.333 ( -0.765 6.795 -6.262) 9.272 10.390 ( 1.377 0.307 0.264) 1.435 11.394 ( -0.766 -6.206 8.569) 10.608 11.824 ( -0.588 -24.918 -18.849) 31.249 20.294 ( -0.042 -3.788 -0.499) 3.821 20.512 ( 0.940 -1.191 -1.853) 2.395 20.555 ( -1.684 -1.295 0.855) 2.290 20.661 ( 1.240 2.509 -0.495) 2.842 24.838 ( 0.024 -1.312 4.530) 4.716 25.495 ( 0.005 -0.414 -0.180) 0.451 32.544 ( 0.023 -1.837 -0.342) 1.869 32.600 ( -0.128 -2.002 -1.400) 2.446 42.072 ( -2.126 -0.720 -3.056) 3.792 43.105 ( 1.976 18.396 16.366) 24.701 43.545 ( -2.127 8.157 3.180) 9.010 46.006 ( 1.865 11.472 -45.899) 47.348 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 18.826 10.618 21.688) 30.619 2.723 ( 4.165 -0.605 3.205) 5.290 3.020 ( 30.759 15.598 5.127) 34.867 3.716 ( -10.566 12.055 14.413) 21.557 3.903 ( 7.166 -2.275 1.401) 7.648 4.380 ( -14.957 21.149 2.655) 26.039 4.781 ( -13.053 5.373 0.666) 14.132 5.354 ( -0.981 -1.764 6.096) 6.421 5.795 ( 3.284 4.684 8.591) 10.322 6.067 ( 0.457 11.499 -11.018) 15.932 6.228 ( 10.254 3.942 -9.802) 14.723 6.536 ( -5.517 4.474 0.633) 7.132 7.092 ( 0.055 4.029 -5.472) 6.796 7.432 ( -2.840 8.660 -3.024) 9.603 7.762 ( 3.698 6.036 -2.285) 7.439 8.240 ( -2.447 2.260 -0.748) 3.414 8.777 ( 10.403 -0.941 12.396) 16.210 9.380 ( 1.703 6.924 -5.472) 8.988 10.378 ( -3.149 0.843 -1.013) 3.414 11.331 ( -0.621 -11.037 8.630) 14.024 11.498 ( -1.269 -21.990 -17.170) 27.928 20.284 ( 2.874 -3.056 -0.764) 4.264 20.504 ( -0.701 0.199 -1.852) 1.991 20.518 ( -0.198 -2.606 0.585) 2.679 20.664 ( -2.997 1.809 0.073) 3.501 24.845 ( -0.547 -0.602 3.565) 3.656 25.489 ( -0.109 -0.358 -0.321) 0.493 32.519 ( -0.841 -1.581 -0.010) 1.791 32.572 ( -0.142 -1.671 -1.598) 2.316 42.092 ( 6.507 -0.408 -2.261) 6.900 43.344 ( -4.974 17.989 15.432) 24.217 43.596 ( -2.915 10.057 3.318) 10.984 45.968 ( 8.796 3.600 -37.089) 38.287 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 15.279 7.056 13.115) 21.336 2.915 ( 6.691 8.545 12.058) 16.223 3.519 ( 5.034 -14.734 4.235) 16.136 3.868 ( 24.400 20.245 6.209) 32.307 4.003 ( 0.357 1.025 7.392) 7.471 4.355 ( -8.692 15.426 -0.177) 17.707 4.594 ( -12.599 7.187 -3.579) 14.940 5.204 ( -19.580 -0.417 -0.057) 19.585 5.863 ( 6.933 0.292 -1.342) 7.068 6.189 ( -0.924 12.139 -0.274) 12.178 6.438 ( -4.604 6.654 4.668) 9.342 6.488 ( 13.481 -0.268 -9.077) 16.254 7.102 ( 3.194 -0.132 -4.831) 5.793 7.560 ( 2.094 12.786 0.957) 12.991 7.871 ( 1.245 11.488 -2.665) 11.859 8.239 ( 1.112 0.649 -1.547) 2.013 8.965 ( 8.444 -3.931 9.790) 13.513 9.448 ( 2.196 4.798 -5.691) 7.761 10.304 ( -5.643 1.800 -1.882) 6.215 11.159 ( -9.174 -13.631 -9.545) 19.002 11.273 ( 6.021 -18.119 4.086) 19.526 20.311 ( 3.547 -2.014 -1.314) 4.285 20.466 ( -1.942 -0.863 -0.812) 2.274 20.515 ( 1.501 -1.590 -0.598) 2.268 20.611 ( -4.882 1.262 1.047) 5.150 24.846 ( -0.799 -0.085 2.567) 2.690 25.483 ( -0.087 -0.207 -0.389) 0.449 32.489 ( -1.189 -1.030 0.145) 1.580 32.549 ( 0.097 -1.246 -1.407) 1.882 42.245 ( 12.382 -0.037 -1.269) 12.447 43.446 ( -8.669 18.211 3.149) 20.413 43.681 ( -4.761 10.445 12.669) 17.096 45.964 ( 11.083 -5.373 -27.061) 29.732 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( -7.079 -5.844 5.350) 10.625 3.202 ( 10.047 12.649 11.980) 20.111 3.598 ( 12.801 -0.612 4.055) 13.442 3.986 ( -6.926 1.750 10.493) 12.694 4.244 ( -10.734 8.605 1.292) 13.817 4.324 ( -1.955 4.831 -1.972) 5.572 4.732 ( 6.339 7.847 -3.315) 10.618 4.861 ( -3.696 9.574 -5.166) 11.489 5.989 ( 6.439 -2.061 -0.294) 6.767 6.192 ( -4.602 0.859 0.684) 4.731 6.324 ( -8.107 1.292 -1.329) 8.316 6.814 ( 16.637 5.196 0.556) 17.438 7.208 ( 8.403 7.013 0.214) 10.947 7.641 ( -2.202 2.928 0.915) 3.776 8.013 ( 1.182 15.104 -4.586) 15.829 8.248 ( 0.704 -2.338 -2.070) 3.201 9.081 ( 5.616 -6.812 6.535) 10.984 9.477 ( 1.398 2.677 -6.410) 7.086 10.234 ( -3.566 2.430 -0.098) 4.317 10.847 ( -8.058 -11.442 -4.634) 14.742 11.227 ( 5.187 -13.987 1.242) 14.970 20.342 ( 2.401 -0.586 -1.258) 2.773 20.418 ( -1.758 -1.379 -1.206) 2.539 20.523 ( 1.150 -1.005 -0.379) 1.574 20.555 ( -3.133 0.442 1.735) 3.608 24.842 ( -0.979 0.114 1.609) 1.887 25.479 ( 0.045 -0.041 -0.299) 0.306 32.463 ( -1.085 -0.319 0.169) 1.144 32.537 ( 0.484 -0.953 -0.940) 1.423 42.470 ( 13.761 0.677 -0.831) 13.803 43.452 ( -10.124 16.611 -5.907) 20.330 43.747 ( -8.318 9.305 18.342) 22.186 45.967 ( 13.085 -11.266 -17.873) 24.851 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -3.308 -9.017 4.858) 10.764 3.393 ( -10.278 9.462 8.367) 16.284 3.784 ( 2.624 0.290 1.070) 2.849 3.944 ( -18.154 0.143 -4.668) 18.745 4.043 ( 5.034 8.464 0.942) 9.893 4.366 ( -4.713 14.198 -2.458) 15.160 4.645 ( -2.936 5.444 6.165) 8.733 5.213 ( 12.132 3.089 -0.709) 12.539 5.988 ( -0.805 -3.155 -4.978) 5.949 6.118 ( -3.529 0.610 -2.277) 4.244 6.229 ( -1.147 -5.662 7.084) 9.141 7.056 ( 7.846 3.673 -5.193) 10.100 7.531 ( 3.480 17.548 9.295) 20.160 7.595 ( 3.307 -2.610 1.524) 4.481 8.106 ( 3.417 -8.054 -3.802) 9.539 8.181 ( -3.787 7.476 -5.931) 10.267 9.043 ( -4.585 -6.663 -0.212) 8.091 9.539 ( 6.822 1.035 -1.888) 7.154 10.241 ( 0.741 2.171 2.338) 3.275 10.644 ( -4.130 -4.295 -2.023) 6.292 11.188 ( 4.772 -11.459 -1.069) 12.459 20.368 ( 1.419 0.083 -0.536) 1.519 20.375 ( -1.427 0.243 -0.912) 1.710 20.528 ( -0.785 -1.551 1.435) 2.253 20.532 ( 1.007 -0.439 -0.400) 1.169 24.831 ( -1.157 0.107 0.776) 1.397 25.480 ( 0.182 0.055 -0.122) 0.226 32.450 ( -0.622 0.298 0.126) 0.701 32.537 ( 0.883 -0.775 -0.445) 1.257 42.683 ( 9.736 2.468 -2.172) 10.276 43.360 ( -12.260 8.501 -3.889) 15.417 43.771 ( -9.134 9.116 13.387) 18.595 46.023 ( 15.595 -11.666 -9.451) 21.647 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 1.933 -6.898 5.506) 9.035 3.175 ( -21.642 2.525 1.083) 21.816 3.497 ( -20.298 -5.004 2.389) 21.042 3.883 ( -0.601 9.496 -6.552) 11.553 4.277 ( 9.237 7.408 -5.905) 13.231 4.430 ( -5.885 14.540 0.121) 15.686 4.712 ( 1.030 -1.770 10.717) 10.911 5.230 ( -7.302 -1.484 -1.467) 7.595 5.896 ( -5.998 2.430 -1.102) 6.564 6.137 ( 5.746 0.115 -1.007) 5.835 6.221 ( 3.995 -9.127 5.532) 11.396 7.096 ( -2.776 1.051 -7.118) 7.712 7.446 ( -7.587 2.628 -2.428) 8.389 7.817 ( -0.079 -12.865 5.522) 14.000 8.049 ( 2.292 10.724 5.716) 12.367 8.268 ( 6.247 5.605 -5.770) 10.185 8.828 ( -12.878 -3.482 -2.732) 13.618 9.653 ( 6.022 -1.947 -0.326) 6.338 10.294 ( 1.846 -0.673 1.942) 2.762 10.656 ( 8.272 3.950 0.859) 9.207 11.156 ( 4.225 -8.753 -2.487) 10.033 20.362 ( 0.124 0.985 -0.429) 1.082 20.404 ( 1.476 1.799 0.004) 2.327 20.500 ( -0.524 -3.450 1.401) 3.760 20.546 ( 1.171 -0.144 -0.806) 1.429 24.813 ( -1.274 0.036 0.205) 1.291 25.484 ( 0.246 0.059 0.003) 0.254 32.450 ( 0.090 0.558 0.013) 0.565 32.547 ( 1.229 -0.531 -0.094) 1.342 42.799 ( 1.119 6.548 -6.750) 9.471 43.178 ( -12.682 -2.292 4.884) 13.782 43.751 ( -7.140 5.525 4.343) 10.018 46.177 ( 16.839 -6.609 -2.553) 18.269 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -18.899 0.100 4.722) 19.480 2.887 ( -2.745 -9.343 -1.801) 9.903 3.188 ( -16.040 -0.054 7.606) 17.752 3.927 ( 0.627 5.001 -7.499) 9.035 4.262 ( -14.197 -12.520 1.672) 19.003 4.447 ( 3.010 8.993 -2.592) 9.831 4.759 ( -7.484 13.382 2.098) 15.475 5.076 ( -3.615 -1.032 -3.363) 5.044 5.868 ( -3.837 5.120 4.704) 7.942 6.173 ( -0.769 -6.240 5.540) 8.380 6.271 ( 9.022 -4.897 -4.715) 11.296 6.938 ( -9.855 -0.478 -3.503) 10.470 7.391 ( -1.315 5.230 -6.266) 8.267 7.611 ( -6.961 -12.482 0.418) 14.298 8.152 ( -7.546 5.236 3.633) 9.876 8.373 ( -0.025 3.088 -3.448) 4.629 8.618 ( -7.647 3.459 5.566) 10.071 9.676 ( -0.323 -1.983 -0.745) 2.143 10.298 ( 0.818 -2.791 -0.115) 2.911 10.994 ( 25.010 -2.524 0.663) 25.146 11.146 ( 1.977 3.208 -0.112) 3.770 20.384 ( 1.169 0.204 -0.269) 1.217 20.451 ( 2.525 -1.001 0.944) 2.875 20.470 ( -0.876 1.099 0.750) 1.593 20.557 ( 1.084 -0.601 -1.037) 1.616 24.792 ( -1.268 -0.008 0.002) 1.268 25.489 ( 0.248 0.008 0.004) 0.248 32.462 ( 0.904 0.292 -0.161) 0.963 32.567 ( 1.492 -0.114 0.049) 1.498 42.777 ( -7.763 11.248 -12.500) 18.521 42.959 ( -10.494 -10.847 13.066) 19.962 43.683 ( -4.781 -0.216 -2.023) 5.196 46.419 ( 15.401 -0.060 1.199) 15.448 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -25.621 3.727 6.815) 26.773 2.726 ( -3.809 -19.117 5.704) 20.310 3.069 ( -8.459 10.535 5.443) 14.566 3.713 ( -17.255 -23.752 -1.867) 29.417 3.954 ( -6.225 -0.888 -4.496) 7.730 4.565 ( 1.401 7.045 0.910) 7.241 4.753 ( -13.250 25.154 -3.971) 28.706 5.094 ( 9.304 -3.018 -4.129) 10.617 5.828 ( -11.271 3.797 4.998) 12.901 6.071 ( -4.065 -11.146 2.622) 12.151 6.315 ( 4.108 -3.134 -7.165) 8.834 6.807 ( -7.568 6.500 1.504) 10.089 7.379 ( -7.514 -5.493 -3.522) 9.951 7.402 ( -2.796 4.465 -1.969) 5.624 7.979 ( -9.768 1.003 -5.019) 11.028 8.352 ( -2.321 1.483 -2.155) 3.497 8.623 ( -6.865 3.821 14.512) 16.502 9.616 ( -4.390 -0.080 -1.564) 4.661 10.283 ( 1.430 -2.775 -1.534) 3.478 11.074 ( 6.896 -12.753 -4.596) 15.209 11.589 ( 25.103 12.878 6.755) 29.011 20.371 ( 0.693 -5.270 0.654) 5.355 20.475 ( 1.934 -0.935 0.910) 2.333 20.517 ( 0.483 4.942 -0.881) 5.043 20.569 ( 1.428 0.849 -0.631) 1.777 24.772 ( -1.108 0.005 0.255) 1.136 25.493 ( 0.235 -0.054 -0.089) 0.257 32.483 ( 1.660 -0.352 -0.344) 1.731 32.594 ( 1.602 0.207 -0.034) 1.616 42.644 ( -11.211 3.551 -3.146) 12.173 42.776 ( -7.680 -3.478 4.760) 9.682 43.560 ( -5.082 -4.071 -5.572) 8.570 46.677 ( 11.564 3.839 0.675) 12.204 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -24.618 0.227 16.813) 29.813 2.529 ( -11.236 1.008 9.999) 15.074 3.109 ( -0.545 -0.114 4.348) 4.383 3.195 ( -12.726 -12.284 -3.814) 18.093 3.813 ( -9.543 3.947 -3.850) 11.022 4.587 ( -7.802 -0.520 2.723) 8.280 4.690 ( -17.143 18.697 -5.542) 25.965 5.294 ( 16.040 1.504 -3.699) 16.530 5.624 ( -16.848 3.450 2.889) 17.438 5.853 ( -8.581 -9.883 1.385) 13.162 6.275 ( 0.236 -3.541 -10.250) 10.847 6.817 ( -4.711 11.234 5.383) 13.318 7.234 ( -3.123 1.023 -5.429) 6.346 7.353 ( -6.495 4.078 -1.286) 7.776 7.911 ( 2.470 0.912 -4.927) 5.586 8.273 ( -7.719 0.313 0.033) 7.726 8.577 ( -9.227 0.076 14.396) 17.100 9.526 ( -5.868 2.148 -2.873) 6.878 10.277 ( 1.790 -1.804 -3.300) 4.165 11.048 ( 5.869 -9.323 -2.968) 11.409 12.146 ( 24.823 4.673 7.028) 26.218 20.338 ( 1.259 -5.176 1.086) 5.436 20.490 ( 1.499 -1.755 -0.886) 2.472 20.551 ( 0.293 1.760 -0.444) 1.838 20.619 ( 1.005 4.032 -0.596) 4.198 24.760 ( -0.718 0.053 1.115) 1.327 25.495 ( 0.241 -0.105 -0.190) 0.324 32.507 ( 2.206 -1.045 -0.475) 2.486 32.621 ( 1.466 0.044 -0.317) 1.501 42.477 ( -8.447 -4.041 7.673) 12.106 42.683 ( -6.674 8.112 -4.261) 11.336 43.381 ( -6.487 -4.528 -8.371) 11.518 46.855 ( 5.622 3.540 -5.366) 8.540 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -8.840 11.488 22.521) 26.783 2.632 ( -0.323 1.168 1.707) 2.093 3.274 ( -16.631 24.577 7.794) 30.682 3.584 ( 1.365 10.121 7.843) 12.876 3.718 ( 4.681 5.070 -4.687) 8.342 4.222 ( -3.175 -6.563 5.893) 9.374 4.650 ( -12.349 0.953 1.871) 12.526 5.280 ( 5.965 -4.979 -1.097) 7.847 5.577 ( -13.737 11.253 1.379) 17.811 5.972 ( -5.218 0.764 -11.867) 12.986 6.032 ( 0.582 13.414 -3.677) 13.922 7.031 ( -2.890 0.356 1.105) 3.114 7.320 ( -8.511 3.499 -6.887) 11.494 7.442 ( 9.304 12.084 -0.494) 15.259 7.830 ( -10.806 -2.040 6.561) 12.805 8.251 ( -2.360 4.439 0.801) 5.090 8.519 ( -7.592 -1.771 5.850) 9.747 9.480 ( -5.452 5.350 -5.769) 9.572 10.249 ( 1.860 2.056 -2.978) 4.069 11.027 ( 11.724 -1.543 -0.921) 11.860 12.213 ( 5.583 -24.346 1.211) 25.007 20.351 ( 4.554 1.896 0.783) 4.995 20.443 ( 2.143 -1.887 -1.022) 3.033 20.512 ( -2.831 -1.965 -2.246) 4.114 20.659 ( -1.391 -0.845 0.290) 1.653 24.792 ( 0.515 -0.077 2.843) 2.891 25.491 ( 0.240 -0.176 -0.318) 0.436 32.495 ( 2.037 -1.333 -0.516) 2.489 32.613 ( 0.502 -1.157 -0.941) 1.574 42.623 ( -1.444 8.571 11.872) 14.713 42.683 ( -10.254 2.527 -1.008) 10.608 43.252 ( 5.321 11.269 -8.750) 15.227 46.610 ( -9.930 -3.576 -21.198) 23.680 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -5.062 16.976 26.461) 31.844 2.639 ( -24.897 11.391 4.083) 27.681 2.933 ( -5.070 -2.526 2.005) 6.009 3.696 ( -17.399 7.901 0.609) 19.119 3.928 ( 8.390 13.965 8.883) 18.556 4.357 ( 2.615 10.050 5.998) 11.992 4.661 ( 13.732 10.560 5.040) 18.041 5.295 ( -0.526 -1.077 0.589) 1.336 5.566 ( -1.423 10.662 1.037) 10.806 5.793 ( -9.559 2.771 -11.347) 15.093 6.184 ( 4.212 12.970 -7.014) 15.335 6.905 ( -8.617 -8.443 5.428) 13.229 7.206 ( -3.277 0.911 -7.763) 8.475 7.633 ( -12.525 1.973 3.429) 13.135 7.765 ( 11.497 14.651 -3.654) 18.978 8.245 ( -3.671 2.121 3.592) 5.557 8.445 ( -4.931 2.074 5.046) 7.354 9.421 ( -4.163 5.798 -6.497) 9.652 10.293 ( 2.410 1.533 -0.843) 2.978 11.221 ( 11.622 0.597 -1.389) 11.720 11.928 ( -3.676 -33.227 -3.664) 33.630 20.386 ( -3.853 -2.611 -1.589) 4.918 20.461 ( 1.933 -1.632 -2.134) 3.310 20.495 ( 5.878 2.267 1.038) 6.385 20.623 ( -1.614 -1.477 0.473) 2.238 24.818 ( 0.847 -0.431 3.539) 3.664 25.491 ( 0.211 -0.264 -0.296) 0.449 32.512 ( 1.708 -1.229 -0.559) 2.177 32.599 ( 0.190 -1.753 -1.067) 2.061 42.398 ( -14.902 -1.009 -3.090) 15.252 42.925 ( 6.488 16.880 15.994) 24.142 43.458 ( 6.711 12.878 -3.290) 14.890 46.244 ( -12.568 -1.051 -31.734) 34.149 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -22.236 0.458 6.007) 23.038 2.529 ( 0.547 20.655 20.150) 28.861 3.043 ( -3.218 1.933 3.949) 5.448 3.508 ( -4.236 6.955 6.957) 10.711 4.119 ( -4.846 9.974 7.443) 13.355 4.554 ( 4.144 14.953 4.073) 16.042 5.097 ( 13.439 7.469 5.858) 16.453 5.272 ( 0.769 -3.623 0.720) 3.773 5.569 ( -6.212 2.978 -8.961) 11.303 5.786 ( 4.565 17.883 2.878) 18.679 6.328 ( 1.062 12.777 -9.089) 15.716 6.702 ( -8.036 -5.242 5.514) 11.066 7.137 ( -0.001 -1.730 -8.077) 8.261 7.508 ( -7.522 6.281 -1.130) 9.865 7.921 ( -6.793 13.754 -9.158) 17.866 8.344 ( 11.740 -0.875 11.496) 16.455 8.408 ( -5.787 2.539 4.493) 7.754 9.391 ( -2.194 6.052 -6.300) 9.007 10.345 ( 3.006 -0.266 0.236) 3.027 11.366 ( 2.363 -4.747 6.336) 8.262 11.498 ( -0.964 -28.131 -14.801) 31.802 20.283 ( -3.002 -3.363 -0.676) 4.558 20.469 ( 1.566 -1.265 -1.650) 2.603 20.578 ( -1.699 -0.995 0.715) 2.095 20.624 ( 4.877 1.851 -0.388) 5.231 24.844 ( 0.577 -0.587 3.538) 3.633 25.489 ( 0.110 -0.350 -0.309) 0.479 32.520 ( 0.872 -1.122 -0.418) 1.481 32.576 ( -0.055 -1.956 -1.204) 2.297 42.157 ( -10.027 -0.546 -3.148) 10.524 43.306 ( 6.184 18.571 19.700) 27.771 43.640 ( 2.041 8.910 1.465) 9.258 45.911 ( -6.201 4.193 -38.529) 39.249 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 13.848 0.115 1.260) 13.905 2.840 ( -5.093 8.210 15.594) 18.344 2.936 ( 2.029 7.820 9.872) 12.756 3.737 ( 11.592 5.900 5.223) 14.016 4.099 ( -11.208 8.920 6.518) 15.737 4.693 ( -5.430 6.287 3.883) 9.170 5.126 ( -15.031 9.007 1.326) 17.573 5.300 ( 7.015 -4.566 3.153) 8.944 5.672 ( 14.308 2.185 2.372) 14.667 6.087 ( 7.271 15.844 1.667) 17.512 6.267 ( -10.091 3.814 -11.922) 16.078 6.673 ( -3.222 9.572 0.917) 10.141 7.075 ( 0.007 -2.942 -8.513) 9.007 7.503 ( -0.656 9.610 -2.491) 9.949 7.886 ( -5.827 15.219 -4.682) 16.956 8.341 ( -6.370 1.643 2.724) 7.120 8.604 ( 13.291 -5.212 11.019) 18.034 9.401 ( 0.049 5.811 -5.610) 8.077 10.383 ( 1.926 -0.975 -0.182) 2.166 11.075 ( -1.961 -28.263 -4.389) 28.669 11.430 ( 0.176 -2.040 -4.260) 4.726 20.228 ( 0.128 -2.533 -0.131) 2.539 20.472 ( 1.179 -1.326 -1.142) 2.110 20.537 ( -2.014 -0.662 -0.287) 2.139 20.691 ( 1.229 0.957 -0.264) 1.580 24.861 ( 0.022 -0.394 3.025) 3.050 25.485 ( -0.004 -0.351 -0.362) 0.504 32.514 ( -0.140 -1.152 0.138) 1.169 32.550 ( -0.059 -1.506 -1.555) 2.165 42.038 ( -1.738 0.010 -2.290) 2.874 43.648 ( -0.757 15.674 18.897) 24.563 43.731 ( 0.262 8.324 5.967) 10.245 45.725 ( 1.874 4.211 -38.332) 38.608 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 29.604 1.235 0.004) 29.630 2.886 ( 11.445 -5.088 9.619) 15.793 3.218 ( 3.397 7.411 10.075) 12.960 3.950 ( 5.774 7.291 -1.617) 9.440 4.064 ( -4.828 8.039 11.910) 15.159 4.560 ( -11.256 -3.004 3.418) 12.142 4.965 ( -14.234 11.144 -1.025) 18.107 5.464 ( 2.833 5.470 9.626) 11.428 5.784 ( -5.109 -4.046 -0.459) 6.533 6.190 ( 9.913 2.159 -8.823) 13.446 6.329 ( 2.653 15.535 -0.548) 15.770 6.641 ( -8.543 5.369 -1.813) 10.252 7.010 ( 2.281 -2.314 -7.259) 7.953 7.622 ( 2.875 9.287 -1.993) 9.924 8.007 ( 0.054 20.034 -1.410) 20.084 8.269 ( -4.072 0.575 0.935) 4.217 8.782 ( 10.769 -10.190 9.468) 17.592 9.437 ( 1.129 4.744 -5.646) 7.461 10.380 ( -1.980 0.635 -0.939) 2.281 10.804 ( 4.044 -25.685 -6.205) 26.732 11.342 ( -6.213 -1.883 -0.107) 6.493 20.232 ( 2.641 -1.677 -0.337) 3.147 20.468 ( 0.512 -2.452 0.102) 2.507 20.500 ( -1.604 0.922 -1.489) 2.375 20.685 ( -2.323 0.236 0.152) 2.340 24.868 ( -0.474 -0.109 2.247) 2.299 25.479 ( -0.032 -0.242 -0.375) 0.448 32.497 ( -0.747 -1.059 0.609) 1.432 32.530 ( 0.040 -0.787 -1.647) 1.826 42.076 ( 6.768 0.374 -1.032) 6.856 43.714 ( -5.158 9.822 0.579) 11.109 43.946 ( -2.369 12.883 22.498) 26.033 45.629 ( 6.110 -1.699 -32.185) 32.804 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 12.388 -2.257 -2.202) 12.784 3.173 ( 23.485 -11.432 0.030) 26.120 3.276 ( 0.430 8.623 12.170) 14.922 4.148 ( 2.449 3.366 7.790) 8.833 4.201 ( 9.965 3.446 -0.311) 10.549 4.378 ( -8.284 0.499 7.894) 11.454 4.883 ( -7.027 14.024 -3.306) 16.031 5.314 ( -26.305 10.758 -0.734) 28.429 5.822 ( 10.017 -4.464 3.030) 11.377 6.234 ( -0.372 -6.740 -3.736) 7.715 6.414 ( -6.815 4.086 -6.774) 10.441 6.683 ( 9.644 9.568 6.685) 15.140 7.108 ( 9.900 7.789 -3.991) 13.214 7.708 ( -0.105 5.270 -1.686) 5.534 8.125 ( -3.698 4.931 -1.669) 6.386 8.274 ( -0.452 9.798 -0.148) 9.809 8.879 ( 9.835 -13.550 6.979) 18.139 9.462 ( 0.419 3.519 -5.883) 6.868 10.323 ( -4.615 1.144 -0.269) 4.762 10.642 ( 5.716 -19.147 -5.244) 20.659 11.215 ( -6.595 -1.374 1.398) 6.880 20.271 ( 3.569 -1.048 -0.726) 3.790 20.433 ( -1.662 -1.795 -0.106) 2.449 20.496 ( 0.557 0.537 -0.992) 1.258 20.633 ( -3.847 0.117 0.696) 3.911 24.866 ( -0.848 0.044 1.371) 1.612 25.476 ( 0.053 -0.089 -0.278) 0.297 32.478 ( -0.882 -0.471 0.627) 1.180 32.519 ( 0.206 -0.488 -1.200) 1.312 42.248 ( 12.616 0.738 0.139) 12.638 43.708 ( -6.964 10.594 -4.016) 13.299 44.084 ( -7.773 9.931 21.118) 24.598 45.570 ( 9.736 -7.963 -22.438) 25.723 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -6.587 -8.978 -1.388) 11.222 3.469 ( 7.980 -3.684 0.399) 8.798 3.583 ( 22.201 6.890 1.229) 23.278 4.122 ( -12.044 3.990 6.871) 14.429 4.196 ( -3.950 -4.160 -0.997) 5.822 4.446 ( 1.304 1.729 7.158) 7.478 5.022 ( -11.583 15.070 -2.228) 19.137 5.039 ( 1.526 10.285 -2.182) 10.624 5.849 ( 2.794 -11.317 -0.589) 11.672 6.170 ( 2.210 -6.052 3.099) 7.150 6.266 ( -8.241 1.806 -6.633) 10.732 6.982 ( 8.478 8.524 4.466) 12.825 7.418 ( 15.006 9.942 0.490) 18.007 7.727 ( -1.583 7.288 -1.774) 7.666 8.002 ( -5.870 -11.980 0.079) 13.341 8.334 ( -4.599 11.498 -2.245) 12.585 8.926 ( 7.185 -11.824 2.385) 14.040 9.474 ( 1.493 1.773 -3.084) 3.858 10.278 ( -2.073 1.173 1.183) 2.659 10.557 ( 3.382 -9.638 -3.539) 10.810 11.123 ( -3.411 -0.978 0.887) 3.658 20.317 ( 3.168 -0.593 -0.718) 3.302 20.391 ( -1.359 -0.821 -0.205) 1.601 20.507 ( 0.664 -0.094 -0.372) 0.767 20.576 ( -3.292 0.228 0.749) 3.383 24.855 ( -1.120 0.044 0.562) 1.254 25.477 ( 0.176 0.011 -0.114) 0.211 32.465 ( -0.810 0.122 0.378) 0.902 32.516 ( 0.561 -0.384 -0.556) 0.878 42.491 ( 13.992 1.408 0.619) 14.076 43.622 ( -11.310 6.992 -3.911) 13.860 44.085 ( -11.216 5.386 11.585) 17.000 45.609 ( 15.016 -7.922 -10.000) 19.703 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -1.145 -6.557 1.404) 6.803 3.410 ( -6.989 -8.606 -4.746) 12.059 3.791 ( -9.262 0.429 6.889) 11.551 4.012 ( -3.751 -3.226 -8.361) 9.715 4.155 ( 1.714 15.251 3.586) 15.761 4.548 ( 5.208 5.412 2.140) 7.810 4.852 ( -14.868 1.655 -0.043) 14.960 5.198 ( 5.903 -2.477 -0.247) 6.407 5.867 ( 11.412 -6.230 -0.910) 13.034 6.117 ( -8.969 3.352 -3.311) 10.131 6.170 ( 0.937 -4.185 3.778) 5.716 7.147 ( -0.280 7.881 0.055) 7.887 7.556 ( -3.288 -0.002 -3.126) 4.536 7.733 ( -5.426 -18.607 2.040) 19.489 7.976 ( 16.647 12.241 2.081) 20.767 8.346 ( -5.469 10.372 -0.524) 11.737 8.894 ( -0.910 -6.470 -1.038) 6.616 9.528 ( 5.130 -0.982 0.059) 5.224 10.273 ( -0.164 -0.729 1.007) 1.254 10.546 ( 4.600 -3.163 -0.784) 5.637 11.098 ( -0.218 2.325 0.076) 2.337 20.355 ( 1.634 0.315 -0.106) 1.667 20.378 ( 0.735 -0.737 0.117) 1.047 20.499 ( -0.719 -1.381 0.016) 1.557 20.549 ( -0.942 1.406 -0.027) 1.692 24.836 ( -1.271 -0.021 0.000) 1.271 25.480 ( 0.245 0.015 -0.000) 0.246 32.457 ( -0.485 0.222 0.001) 0.533 32.525 ( 0.939 -0.078 -0.000) 0.942 42.723 ( 10.284 2.776 -0.260) 10.655 43.426 ( -14.886 0.306 0.786) 14.910 43.936 ( -10.994 -1.979 -0.572) 11.185 45.828 ( 18.456 -0.858 0.046) 18.476 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 3.004 -8.464 4.539) 10.063 3.082 ( -17.269 -6.642 -4.098) 18.951 3.587 ( -18.669 4.177 10.721) 21.930 3.922 ( -1.044 -2.137 -6.938) 7.335 4.257 ( -2.857 -6.479 -0.146) 7.082 4.524 ( -10.239 -2.255 -5.950) 12.055 4.771 ( 9.553 4.044 -3.390) 10.913 5.224 ( -3.301 3.815 -0.128) 5.046 6.006 ( 9.406 -8.949 0.883) 13.013 6.027 ( -5.010 6.740 2.262) 8.698 6.169 ( 1.095 -1.238 0.949) 1.905 7.095 ( -10.141 1.278 -0.116) 10.222 7.450 ( -2.834 0.643 -5.287) 6.033 7.570 ( -1.508 -8.290 2.105) 8.684 8.312 ( 6.263 4.532 -4.485) 8.938 8.338 ( -2.722 5.859 3.467) 7.332 8.797 ( -5.684 0.841 4.234) 7.137 9.604 ( 4.781 -1.860 0.028) 5.130 10.254 ( 0.068 -3.078 -0.622) 3.141 10.639 ( 10.473 -5.653 0.653) 11.919 11.187 ( 3.663 10.936 1.562) 11.639 20.364 ( -0.052 -2.331 0.751) 2.449 20.400 ( 1.989 -0.363 0.247) 2.037 20.489 ( 0.947 0.928 -0.154) 1.335 20.555 ( -0.459 1.931 -0.553) 2.060 24.813 ( -1.266 -0.066 -0.197) 1.283 25.485 ( 0.244 -0.042 -0.004) 0.247 32.453 ( 0.092 -0.139 -0.310) 0.352 32.546 ( 1.214 0.376 0.232) 1.292 42.864 ( 2.423 5.125 -3.418) 6.620 43.155 ( -15.706 -6.401 7.363) 18.490 43.712 ( -6.366 -7.227 -8.056) 12.556 46.176 ( 17.634 5.703 3.904) 18.940 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -1.734 -15.457 10.851) 18.965 2.734 ( -16.205 -1.172 -1.185) 16.290 3.418 ( -14.890 8.979 9.577) 19.851 3.701 ( -12.311 -24.938 -2.236) 27.901 4.002 ( -5.793 -0.840 -6.969) 9.101 4.513 ( 5.324 2.004 -4.927) 7.526 4.869 ( 6.509 -7.609 -8.469) 13.114 5.213 ( -9.645 20.113 -0.381) 22.309 5.991 ( -2.299 -5.949 5.455) 8.393 6.052 ( -1.682 1.252 2.165) 3.014 6.201 ( 3.503 -0.887 -3.465) 5.006 6.949 ( -5.712 0.214 0.400) 5.730 7.397 ( -2.505 -2.081 -4.751) 5.761 7.522 ( -2.770 6.305 2.906) 7.474 8.173 ( -13.850 1.044 -5.463) 14.925 8.399 ( -1.145 3.050 -2.424) 4.061 8.806 ( -2.550 1.465 12.472) 12.814 9.638 ( 0.536 -0.062 -1.129) 1.251 10.221 ( 0.829 -3.045 -2.149) 3.818 10.748 ( 11.662 -11.100 -1.152) 16.141 11.468 ( 11.969 15.001 5.161) 19.873 20.325 ( -0.502 -4.590 1.051) 4.736 20.424 ( 1.935 -1.658 -0.328) 2.569 20.550 ( 2.765 3.746 0.134) 4.657 20.563 ( -0.708 2.601 -0.747) 2.797 24.792 ( -1.093 -0.045 0.020) 1.094 25.487 ( 0.215 -0.097 -0.102) 0.257 32.455 ( 0.778 -0.618 -0.468) 1.098 32.573 ( 1.312 0.563 0.111) 1.432 42.863 ( -12.763 1.500 -1.385) 12.925 42.879 ( -5.479 -4.030 5.409) 8.690 43.524 ( -2.174 -7.836 -9.349) 12.391 46.530 ( 13.428 7.709 2.884) 15.749 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -15.668 -12.007 14.120) 24.270 2.630 ( 2.470 1.852 6.022) 6.767 3.141 ( -16.809 -20.460 3.217) 26.674 3.407 ( -9.353 13.543 0.397) 16.463 3.920 ( -3.233 1.343 -5.726) 6.712 4.580 ( 3.059 -3.682 -2.568) 5.433 4.821 ( 5.341 -8.192 -9.008) 13.295 5.269 ( -7.330 16.461 1.696) 18.099 5.884 ( -6.464 -3.778 6.334) 9.807 5.985 ( -9.415 2.839 -1.056) 9.891 6.202 ( 0.355 -0.775 -6.864) 6.917 6.932 ( 1.018 3.719 -1.303) 4.070 7.291 ( -5.128 -0.081 -0.982) 5.222 7.599 ( -6.052 14.612 4.278) 16.384 7.906 ( -9.729 -0.877 -8.406) 12.888 8.374 ( -3.823 1.767 -0.312) 4.223 8.786 ( -7.142 -3.039 12.747) 14.924 9.613 ( -3.414 2.378 -2.527) 4.868 10.208 ( 1.929 -1.281 -3.673) 4.342 10.812 ( 9.420 -9.721 -1.393) 13.608 11.870 ( 17.664 6.397 6.320) 19.821 20.285 ( 0.321 -3.779 1.144) 3.962 20.431 ( 1.933 -2.619 -0.974) 3.398 20.570 ( -0.570 1.689 -0.401) 1.827 20.632 ( 1.831 4.020 -0.372) 4.433 24.778 ( -0.735 0.033 0.671) 0.996 25.489 ( 0.204 -0.123 -0.225) 0.328 32.463 ( 1.413 -1.028 -0.505) 1.819 32.599 ( 1.175 0.262 -0.244) 1.228 42.632 ( -10.214 -6.844 11.079) 16.550 42.834 ( -4.624 8.662 -6.792) 11.939 43.369 ( -3.309 -5.702 -9.108) 11.244 46.772 ( 6.827 5.059 -1.978) 8.725 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 2.346 11.328 4.083) 12.268 2.659 ( 0.218 -0.838 12.018) 12.049 3.466 ( 15.756 16.157 -0.449) 22.572 3.752 ( 0.044 12.352 4.277) 13.072 3.875 ( -13.497 10.096 5.701) 17.793 4.216 ( -3.069 -7.590 3.550) 8.924 4.680 ( 4.359 -5.608 -4.130) 8.217 5.203 ( -7.408 -5.297 2.713) 9.503 5.883 ( -10.172 1.889 4.754) 11.386 6.042 ( -6.462 1.239 -7.342) 9.858 6.133 ( 2.643 11.908 -4.983) 13.177 7.009 ( 3.662 2.527 -5.933) 7.416 7.426 ( 3.463 4.502 3.769) 6.817 7.563 ( -14.859 6.490 -9.469) 18.777 8.027 ( -8.228 5.098 8.863) 13.125 8.337 ( -1.932 3.508 0.867) 4.097 8.638 ( -6.545 -3.932 4.890) 9.067 9.599 ( -5.910 5.094 -5.350) 9.460 10.225 ( 2.508 2.601 -2.274) 4.269 10.776 ( 12.620 -5.460 -1.447) 13.827 11.927 ( 3.186 -19.089 1.591) 19.419 20.310 ( 3.239 2.210 0.725) 3.988 20.381 ( 2.209 -1.557 -0.920) 2.855 20.539 ( -3.279 -1.355 -1.794) 3.976 20.666 ( -0.661 -1.722 0.356) 1.879 24.797 ( 0.375 0.135 1.741) 1.786 25.485 ( 0.134 -0.067 -0.305) 0.340 32.453 ( 1.446 -0.650 -0.237) 1.603 32.592 ( 0.143 -0.926 -0.767) 1.211 42.763 ( 2.616 10.215 11.138) 15.337 42.880 ( -10.392 1.022 -0.187) 10.444 43.208 ( 5.703 8.264 -8.236) 12.987 46.630 ( -8.670 -6.275 -12.555) 16.498 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 2.279 16.292 9.940) 19.221 2.783 ( 4.025 5.410 12.304) 14.030 3.338 ( -26.314 -11.956 4.035) 29.183 3.971 ( -4.099 18.058 -4.286) 19.007 4.032 ( 5.703 20.239 7.861) 22.449 4.323 ( 12.555 11.704 9.119) 19.437 4.597 ( -2.447 -5.112 1.631) 5.897 5.157 ( 6.254 -5.465 -3.571) 9.041 5.772 ( -6.458 2.235 3.932) 7.884 5.903 ( -7.399 3.448 -8.213) 11.579 6.264 ( 1.985 12.735 -4.698) 13.718 6.974 ( -6.069 -1.788 -0.284) 6.333 7.345 ( -12.594 6.096 -9.431) 16.874 7.647 ( 12.952 6.738 2.540) 14.819 7.887 ( -12.214 1.051 4.731) 13.140 8.378 ( -4.582 7.406 1.076) 8.775 8.551 ( -3.213 -0.140 5.086) 6.017 9.519 ( -5.307 4.905 -6.831) 9.944 10.277 ( 1.564 2.101 -0.437) 2.655 10.951 ( 15.431 -5.014 -4.636) 16.874 11.689 ( -4.370 -27.379 0.857) 27.739 20.395 ( 2.716 0.122 -1.624) 3.167 20.418 ( 2.715 1.659 0.450) 3.214 20.440 ( -2.502 -2.790 -1.420) 4.008 20.634 ( -1.174 -2.115 0.742) 2.530 24.818 ( 0.761 0.055 2.363) 2.484 25.484 ( 0.129 -0.113 -0.345) 0.385 32.472 ( 1.606 -0.500 -0.289) 1.706 32.577 ( -0.063 -1.485 -0.928) 1.752 42.634 ( -15.419 -1.218 -2.674) 15.696 43.060 ( 7.011 17.590 15.328) 24.362 43.421 ( 9.669 11.686 -4.418) 15.798 46.280 ( -13.099 -7.981 -20.584) 25.670 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -28.038 -7.067 9.209) 30.346 2.806 ( 0.237 14.344 8.734) 16.796 3.088 ( 2.567 8.961 11.890) 15.109 3.815 ( -19.319 3.471 0.780) 19.644 4.315 ( -1.077 11.403 9.008) 14.572 4.575 ( 7.143 8.194 3.250) 11.345 4.834 ( 18.070 10.366 -1.220) 20.868 5.204 ( 6.993 -5.112 -1.792) 8.845 5.737 ( -8.811 5.104 -2.991) 10.613 5.827 ( 3.498 4.483 -1.940) 6.007 6.408 ( 2.861 10.913 -3.669) 11.864 6.848 ( -8.247 3.914 4.031) 9.979 7.139 ( -9.403 -0.513 -7.692) 12.159 7.748 ( -10.335 6.804 0.468) 12.383 7.954 ( 12.923 6.477 -1.405) 14.524 8.318 ( -6.441 4.059 0.758) 7.651 8.553 ( -3.668 2.116 6.594) 7.837 9.455 ( -3.316 4.345 -6.785) 8.713 10.310 ( 1.109 0.050 0.766) 1.349 11.088 ( 11.856 -15.872 -11.603) 22.959 11.350 ( -5.338 -16.525 5.294) 18.155 20.314 ( -4.573 -2.846 -1.053) 5.488 20.420 ( 1.993 -0.751 -1.369) 2.532 20.546 ( 5.850 1.717 0.057) 6.097 20.597 ( -1.313 -1.343 0.701) 2.005 24.845 ( 0.807 -0.063 2.531) 2.658 25.483 ( 0.084 -0.196 -0.363) 0.421 32.492 ( 1.305 -0.374 -0.334) 1.398 32.554 ( -0.172 -1.726 -0.940) 1.973 42.348 ( -14.717 -0.761 -3.068) 15.053 43.466 ( 8.398 19.194 19.301) 28.486 43.659 ( 6.762 9.317 -0.700) 11.533 45.880 ( -10.656 -4.718 -28.009) 30.337 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -18.598 -2.647 2.881) 19.005 3.072 ( -0.883 7.916 5.262) 9.546 3.122 ( -9.618 5.833 14.299) 18.193 3.691 ( 2.546 5.860 6.302) 8.974 4.342 ( -6.140 3.705 5.195) 8.855 4.772 ( 1.800 3.777 2.656) 4.956 5.083 ( 9.272 -0.495 -5.397) 10.739 5.366 ( 8.301 4.169 8.841) 12.824 5.585 ( -7.530 6.852 -6.339) 11.994 6.038 ( 12.778 7.810 -0.995) 15.009 6.435 ( -7.567 1.984 -0.705) 7.855 6.869 ( -4.975 15.316 1.025) 16.136 6.971 ( -1.168 -5.525 -7.647) 9.506 7.672 ( -7.512 9.389 -1.657) 12.138 8.097 ( -2.598 11.829 -5.878) 13.462 8.361 ( 8.124 -4.225 5.459) 10.661 8.513 ( -5.641 1.260 6.046) 8.364 9.428 ( -0.869 4.051 -5.718) 7.062 10.328 ( 1.850 -1.942 0.602) 2.748 10.842 ( -2.579 -23.929 -7.180) 25.116 11.351 ( 4.952 -2.249 1.012) 5.532 20.227 ( -2.501 -1.935 -0.122) 3.165 20.435 ( 1.306 -0.771 -0.998) 1.816 20.556 ( -1.136 -1.093 -0.374) 1.620 20.652 ( 3.820 0.976 0.112) 3.945 24.868 ( 0.503 -0.092 2.237) 2.295 25.480 ( 0.019 -0.242 -0.359) 0.434 32.503 ( 0.572 -0.410 -0.015) 0.704 32.530 ( -0.127 -1.440 -1.102) 1.818 42.121 ( -9.295 -0.176 -2.466) 9.619 43.797 ( 1.024 5.281 1.687) 5.637 43.879 ( 6.042 16.749 23.168) 29.220 45.578 ( -3.586 -0.663 -32.632) 32.835 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 13.129 0.807 -0.700) 13.172 2.823 ( -7.942 -8.885 4.691) 12.808 3.375 ( 2.184 13.875 11.221) 17.978 3.893 ( 7.156 6.183 2.820) 9.869 4.273 ( -6.830 1.931 3.916) 8.107 4.698 ( -7.506 -4.860 0.382) 8.951 5.196 ( -0.740 0.355 2.599) 2.725 5.385 ( 1.487 5.809 0.213) 6.000 5.796 ( 12.765 5.066 6.370) 15.139 6.178 ( -10.598 -0.593 -10.937) 15.241 6.390 ( 7.207 12.447 7.441) 16.194 6.822 ( -8.571 4.255 -9.987) 13.831 6.929 ( 0.224 -1.380 -1.198) 1.841 7.670 ( -1.297 7.718 -2.446) 8.199 8.185 ( 0.469 15.166 -3.395) 15.549 8.364 ( -4.591 -1.893 2.749) 5.676 8.552 ( 7.398 -7.329 7.037) 12.569 9.443 ( 0.545 4.586 -4.688) 6.580 10.348 ( 3.363 -3.051 -0.191) 4.545 10.570 ( -3.013 -16.088 -4.179) 16.892 11.375 ( -0.161 -2.039 0.029) 2.045 20.194 ( 0.194 -1.038 0.071) 1.058 20.439 ( 0.664 -1.199 -0.354) 1.416 20.529 ( -1.334 0.328 -0.738) 1.559 20.695 ( 0.837 -0.202 -0.073) 0.864 24.881 ( 0.014 -0.037 1.597) 1.598 25.476 ( -0.009 -0.192 -0.302) 0.358 32.500 ( -0.378 -0.964 0.960) 1.413 32.515 ( 0.216 -0.278 -1.716) 1.751 42.024 ( -0.960 0.221 -1.200) 1.552 43.836 ( -1.678 3.705 1.585) 4.365 44.207 ( 1.112 12.504 24.002) 27.086 45.394 ( 1.320 -1.017 -31.041) 31.086 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 26.784 -9.569 -4.660) 28.821 2.842 ( 13.613 1.891 3.582) 14.203 3.480 ( -6.622 4.543 6.957) 10.625 4.023 ( 4.224 1.437 -5.192) 6.846 4.254 ( -0.140 2.317 6.256) 6.673 4.557 ( -5.969 1.995 4.506) 7.740 5.107 ( -8.870 3.916 1.428) 9.801 5.597 ( 12.394 -2.356 -0.055) 12.616 5.747 ( -16.481 0.462 2.379) 16.658 6.132 ( 2.832 -1.897 -1.507) 3.727 6.595 ( -5.021 8.498 2.530) 10.190 6.652 ( -0.459 0.879 -5.900) 5.983 7.004 ( 9.361 7.506 -2.430) 12.243 7.734 ( 1.621 5.551 -2.286) 6.218 8.200 ( -4.789 -3.928 -0.460) 6.211 8.399 ( 0.575 12.814 -0.268) 12.829 8.614 ( 7.947 -12.625 6.081) 16.110 9.468 ( -0.064 3.184 -3.587) 4.797 10.372 ( 5.416 -9.503 -2.167) 11.151 10.397 ( -3.707 -1.327 -0.665) 3.993 11.315 ( -4.929 -0.769 0.218) 4.994 20.209 ( 2.354 -0.512 -0.261) 2.423 20.430 ( -0.176 -1.470 0.214) 1.496 20.511 ( -1.181 1.346 -0.776) 1.952 20.681 ( -1.837 -0.640 0.092) 1.948 24.883 ( -0.486 0.007 0.781) 0.920 25.473 ( 0.036 -0.073 -0.169) 0.188 32.490 ( -0.510 -0.559 1.106) 1.340 32.508 ( 0.031 0.076 -1.399) 1.402 42.081 ( 7.473 0.472 0.273) 7.493 43.845 ( -2.380 4.396 -0.850) 5.070 44.383 ( -4.983 6.663 18.307) 20.109 45.279 ( 4.407 -3.837 -20.614) 21.426 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 16.821 -8.533 -8.181) 20.560 3.174 ( 12.149 0.475 1.956) 12.315 3.450 ( 4.611 1.862 2.686) 5.652 4.034 ( 6.622 -6.580 -8.145) 12.389 4.325 ( -0.831 4.773 4.079) 6.334 4.585 ( -3.929 6.432 11.303) 13.585 5.037 ( -3.568 5.497 -3.742) 7.546 5.384 ( -12.689 -6.245 0.058) 14.142 5.821 ( -4.652 0.997 3.974) 6.199 5.988 ( 3.257 -10.485 -4.530) 11.877 6.438 ( -10.684 2.624 -3.680) 11.601 6.896 ( 14.341 4.966 6.861) 16.656 7.269 ( 12.114 7.493 -4.325) 14.886 7.782 ( -1.063 5.285 -2.908) 6.125 8.038 ( -7.269 -8.744 2.725) 11.693 8.486 ( -1.551 6.987 0.495) 7.175 8.671 ( 9.396 -9.853 2.218) 13.794 9.464 ( -0.111 -0.040 -1.288) 1.293 10.320 ( -0.250 -0.794 -2.160) 2.315 10.418 ( 2.299 -0.032 0.914) 2.474 11.218 ( -6.060 0.938 0.068) 6.133 20.254 ( 3.423 -0.005 -0.422) 3.449 20.406 ( -1.297 -0.992 0.357) 1.671 20.509 ( -0.415 1.381 -0.338) 1.481 20.631 ( -3.035 -0.745 0.126) 3.128 24.874 ( -0.887 -0.017 -0.007) 0.887 25.474 ( 0.119 0.018 -0.004) 0.121 32.482 ( -0.775 -0.012 0.871) 1.166 32.505 ( 0.255 0.168 -0.762) 0.821 42.272 ( 13.247 0.798 1.444) 13.349 43.808 ( -6.275 3.114 -2.092) 7.311 44.329 ( -10.286 -2.552 2.502) 10.889 45.310 ( 10.199 -1.159 -1.685) 10.402 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -3.913 1.537 -3.070) 5.206 3.255 ( 7.655 -11.943 -5.051) 15.058 3.634 ( 12.765 -3.698 -4.942) 14.179 4.087 ( 1.855 -0.933 -2.999) 3.648 4.348 ( -1.052 11.236 0.942) 11.325 4.594 ( -7.261 2.396 10.824) 13.252 4.972 ( -4.932 -9.931 -7.439) 13.352 5.178 ( -5.386 -4.211 2.279) 7.206 5.671 ( 0.570 -2.953 1.236) 3.252 6.060 ( 6.807 -6.010 0.852) 9.120 6.298 ( -8.038 5.303 -3.617) 10.286 7.180 ( 8.567 3.751 8.096) 12.370 7.438 ( 9.886 -8.087 -8.003) 15.072 7.713 ( -9.700 -2.760 -0.141) 10.086 7.928 ( 2.084 2.900 2.392) 4.298 8.524 ( -2.968 7.534 0.893) 8.146 8.739 ( 8.298 -8.625 0.258) 11.971 9.476 ( 1.958 -0.092 1.670) 2.576 10.305 ( -1.887 1.892 -1.709) 3.172 10.473 ( 1.738 2.275 2.641) 3.895 11.161 ( -2.553 4.510 -0.594) 5.217 20.316 ( 3.431 1.058 0.078) 3.592 20.378 ( -1.157 -0.724 0.521) 1.461 20.505 ( -1.345 -0.242 -0.181) 1.379 20.583 ( -1.669 0.442 -0.216) 1.740 24.854 ( -1.120 -0.085 -0.564) 1.257 25.477 ( 0.175 0.019 0.107) 0.206 32.470 ( -0.917 -0.050 0.161) 0.933 32.515 ( 0.615 0.572 0.148) 0.853 42.532 ( 14.574 1.396 1.884) 14.761 43.656 ( -12.063 -1.395 0.144) 12.144 44.047 ( -11.816 -11.156 -8.656) 18.412 45.578 ( 15.755 5.769 8.541) 18.827 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -4.763 0.018 2.595) 5.424 3.124 ( -3.928 -12.563 -7.565) 15.181 3.744 ( 10.102 -10.031 -5.784) 15.366 3.957 ( -14.172 4.956 3.523) 15.422 4.412 ( -14.419 -0.145 3.107) 14.751 4.603 ( -2.358 -8.024 -6.985) 10.897 4.615 ( 0.050 -0.962 -6.860) 6.928 5.173 ( 7.460 -5.349 3.425) 9.797 5.792 ( 9.931 0.600 2.128) 10.174 6.082 ( 2.807 -4.319 0.182) 5.154 6.217 ( -6.211 3.983 -0.852) 7.428 7.299 ( -10.522 -6.987 6.735) 14.314 7.344 ( 5.902 -5.217 -0.953) 7.934 7.591 ( -1.919 2.578 -2.370) 3.994 8.124 ( 13.827 3.902 -2.573) 14.596 8.499 ( -6.884 3.781 -1.877) 8.076 8.791 ( 5.692 -6.554 2.977) 9.177 9.545 ( 3.310 1.678 3.554) 5.138 10.261 ( -3.537 0.059 -0.831) 3.633 10.528 ( 0.920 0.712 2.703) 2.943 11.244 ( 3.318 11.945 0.026) 12.398 20.355 ( -0.946 -1.702 1.107) 2.240 20.383 ( 1.594 1.896 0.346) 2.501 20.469 ( 0.234 -1.470 -0.274) 1.514 20.583 ( -0.343 2.419 -0.632) 2.524 24.830 ( -1.147 -0.139 -0.757) 1.382 25.481 ( 0.177 -0.043 0.110) 0.212 32.454 ( -0.671 -0.299 -0.205) 0.763 32.536 ( 0.839 0.895 0.468) 1.313 42.779 ( 10.728 2.248 1.281) 11.035 43.393 ( -15.495 -7.162 5.739) 18.009 43.681 ( -8.764 -13.446 -14.490) 21.623 45.992 ( 17.244 10.331 9.511) 22.239 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -3.855 -8.536 7.689) 12.118 2.863 ( -8.216 -11.088 -6.050) 15.068 3.633 ( -6.937 -17.129 1.886) 18.576 3.811 ( -13.051 6.091 5.199) 15.312 4.100 ( -12.084 -3.564 -4.486) 13.374 4.402 ( 1.580 -2.532 -11.129) 11.522 4.672 ( 2.976 -6.520 -7.246) 10.191 5.345 ( 9.700 6.036 -0.913) 11.461 5.951 ( 4.192 0.906 4.583) 6.277 6.107 ( 1.746 -0.034 1.134) 2.082 6.143 ( -2.649 -1.592 -1.236) 3.328 7.048 ( -9.093 -9.584 6.112) 14.557 7.388 ( 0.293 1.803 -2.407) 3.022 7.620 ( 0.063 6.114 0.586) 6.142 8.353 ( 3.414 3.580 -2.870) 5.719 8.367 ( -3.453 0.957 -4.759) 5.957 8.824 ( 3.305 -7.013 6.066) 9.844 9.636 ( 1.843 3.461 2.901) 4.878 10.194 ( -2.315 -1.957 -0.616) 3.094 10.550 ( 2.515 -3.257 1.000) 4.235 11.478 ( 6.886 15.026 2.185) 16.672 20.314 ( -1.838 -2.899 1.447) 3.725 20.386 ( 0.216 -1.336 -1.113) 1.752 20.524 ( 3.740 2.108 1.173) 4.450 20.600 ( -0.425 3.263 -0.979) 3.433 24.807 ( -0.974 -0.129 -0.550) 1.126 25.483 ( 0.149 -0.097 0.022) 0.179 32.442 ( -0.165 -0.508 -0.354) 0.640 32.563 ( 0.914 0.878 0.376) 1.322 42.913 ( 1.569 0.994 0.335) 1.888 43.080 ( -14.655 -8.935 6.998) 18.536 43.401 ( -1.319 -9.689 -13.580) 16.734 46.410 ( 14.154 10.475 6.791) 18.873 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -4.630 -16.163 9.593) 19.357 2.625 ( -3.753 -5.650 -2.622) 7.272 3.290 ( -14.183 -11.388 5.445) 18.987 3.732 ( -10.612 11.251 5.427) 16.390 3.931 ( -3.312 0.614 -7.678) 8.385 4.430 ( 7.764 -3.770 -6.282) 10.675 4.586 ( 2.858 -9.189 -8.497) 12.838 5.530 ( 0.077 11.290 -0.170) 11.292 5.931 ( -4.879 -5.433 5.518) 9.153 6.083 ( -1.563 0.358 -0.336) 1.638 6.170 ( 2.205 1.249 -2.747) 3.737 6.916 ( -1.071 -3.619 1.628) 4.110 7.374 ( -2.988 2.624 -0.583) 4.019 7.713 ( 2.853 6.393 1.957) 7.269 8.167 ( -14.738 5.795 -5.680) 16.824 8.442 ( -1.271 3.141 -1.217) 3.600 8.828 ( 1.844 -9.160 7.342) 11.883 9.684 ( -2.090 4.719 0.354) 5.173 10.157 ( 0.880 -1.471 -1.750) 2.449 10.579 ( 6.333 -6.002 0.159) 8.727 11.747 ( 8.701 8.362 3.377) 12.531 20.268 ( -1.051 -2.138 1.216) 2.674 20.374 ( 1.150 -2.225 -1.179) 2.769 20.588 ( 0.564 1.109 0.394) 1.305 20.636 ( 1.402 3.562 -0.437) 3.853 24.791 ( -0.631 -0.040 0.025) 0.633 25.484 ( 0.126 -0.103 -0.107) 0.195 32.436 ( 0.437 -0.650 -0.352) 0.859 32.585 ( 0.770 0.473 0.029) 0.904 42.780 ( -9.490 -9.506 10.020) 16.758 42.936 ( -3.574 5.705 -6.642) 9.457 43.290 ( 1.021 -5.168 -7.576) 9.228 46.705 ( 7.677 6.324 1.877) 10.122 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 4.438 15.723 -3.617) 16.733 2.653 ( 5.799 0.980 6.931) 9.089 3.392 ( 9.124 11.637 -2.546) 15.005 3.855 ( 0.170 3.672 0.955) 3.797 4.044 ( 6.803 3.052 7.137) 10.321 4.251 ( -5.309 -2.721 5.855) 8.359 4.515 ( 5.136 3.022 -1.850) 6.240 5.412 ( -16.605 -5.127 5.004) 18.085 6.047 ( -6.763 -2.405 2.110) 7.481 6.065 ( 9.708 5.678 -2.917) 11.619 6.115 ( -3.436 0.784 -4.834) 5.982 6.941 ( 5.106 6.344 -6.165) 10.215 7.421 ( 0.815 -1.756 1.846) 2.675 7.712 ( -4.003 -1.397 -2.451) 4.897 8.287 ( -1.859 7.020 3.758) 8.176 8.389 ( -6.766 -2.267 1.766) 7.351 8.717 ( -3.134 2.383 0.526) 3.972 9.708 ( -4.371 1.433 -3.632) 5.861 10.172 ( 4.261 0.710 -1.028) 4.441 10.552 ( 5.484 -2.767 -0.590) 6.171 11.767 ( -2.020 -12.429 -0.369) 12.598 20.285 ( 2.206 1.669 -0.626) 2.836 20.348 ( 0.587 0.553 0.573) 0.989 20.572 ( -2.753 -1.045 -1.287) 3.214 20.653 ( -0.222 -2.664 0.528) 2.725 24.798 ( 0.464 0.128 0.799) 0.933 25.482 ( -0.007 0.038 -0.120) 0.126 32.433 ( 0.558 0.050 0.087) 0.567 32.583 ( -0.310 -0.689 -0.424) 0.866 42.833 ( 4.718 8.814 2.161) 10.228 42.993 ( 1.199 2.048 0.604) 2.448 43.188 ( -1.198 3.758 0.695) 4.005 46.658 ( -8.162 -6.940 -6.508) 12.535 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 6.999 13.126 -3.632) 15.313 2.828 ( 4.531 4.582 12.684) 14.227 3.538 ( -5.584 3.837 1.167) 6.875 4.031 ( 11.496 4.288 4.851) 13.194 4.161 ( 0.462 10.232 -0.278) 10.246 4.364 ( 9.271 13.312 9.791) 18.948 4.587 ( 0.095 -0.806 2.044) 2.199 5.134 ( -11.871 -1.237 -1.301) 12.006 5.885 ( -8.192 -4.745 0.828) 9.503 6.020 ( -5.861 2.764 -3.289) 7.267 6.235 ( 6.910 3.221 -2.749) 8.104 7.068 ( 0.699 10.116 -4.236) 10.990 7.440 ( 3.230 0.137 -6.567) 7.320 7.610 ( -4.442 -0.589 2.585) 5.173 8.129 ( -14.564 -1.070 5.120) 15.475 8.464 ( 5.181 4.343 3.047) 7.415 8.666 ( -7.502 5.333 0.310) 9.209 9.613 ( -5.236 1.620 -6.031) 8.149 10.252 ( 3.907 1.004 -0.054) 4.035 10.634 ( 9.888 -5.997 -3.367) 12.045 11.548 ( -4.898 -18.955 0.247) 19.579 20.343 ( 2.743 1.109 -1.744) 3.434 20.384 ( 2.427 1.513 1.424) 3.195 20.481 ( -4.626 -2.155 -1.748) 5.394 20.626 ( -0.282 -2.743 0.880) 2.894 24.816 ( 0.824 0.176 1.373) 1.611 25.482 ( -0.021 0.026 -0.219) 0.222 32.447 ( 1.019 0.108 0.069) 1.027 32.564 ( -0.467 -1.178 -0.685) 1.440 42.833 ( -10.251 -1.622 -1.723) 10.520 43.176 ( 8.539 19.194 4.640) 21.514 43.330 ( 9.023 6.463 4.228) 11.877 46.328 ( -13.812 -10.896 -12.515) 21.590 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 7.974 -2.630 -0.076) 8.397 2.953 ( -6.128 7.784 11.393) 15.098 3.387 ( -14.972 8.744 11.008) 20.537 4.096 ( -6.334 0.554 -1.781) 6.603 4.439 ( -0.945 4.924 8.856) 10.176 4.550 ( 7.135 7.999 3.876) 11.398 4.729 ( 12.604 11.723 -1.348) 17.266 5.042 ( 1.602 4.166 -6.554) 7.929 5.741 ( -0.958 -5.777 0.446) 5.873 5.948 ( -6.915 6.495 -2.504) 9.812 6.353 ( 6.638 -0.348 -0.743) 6.689 7.093 ( -7.780 12.655 2.286) 15.030 7.318 ( -12.209 0.989 -8.486) 14.901 7.727 ( 13.977 -1.286 2.635) 14.282 7.947 ( -8.437 1.284 1.126) 8.608 8.542 ( -7.833 9.251 -3.122) 12.517 8.612 ( -0.475 -0.078 6.125) 6.144 9.514 ( -4.102 1.380 -6.318) 7.658 10.305 ( 1.126 -0.011 1.644) 1.992 10.696 ( 9.736 -12.835 -7.217) 17.653 11.303 ( -3.630 -13.121 2.412) 13.826 20.360 ( -4.212 -2.551 -1.365) 5.110 20.377 ( 1.722 -0.061 -0.861) 1.927 20.479 ( 4.051 2.215 0.430) 4.637 20.600 ( -0.459 -1.874 0.713) 2.057 24.841 ( 0.975 0.141 1.578) 1.860 25.480 ( -0.044 -0.041 -0.275) 0.281 32.468 ( 1.202 0.124 -0.067) 1.210 32.540 ( -0.457 -1.353 -0.703) 1.592 42.581 ( -15.154 -1.278 -2.646) 15.437 43.566 ( 12.182 16.877 -6.572) 21.827 43.605 ( 9.087 9.743 20.755) 24.663 45.898 ( -14.396 -10.334 -17.807) 25.122 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -24.853 -4.031 7.394) 26.241 3.100 ( 6.372 8.976 0.687) 11.029 3.386 ( -7.569 5.807 10.609) 14.268 3.869 ( -14.031 1.820 4.413) 14.821 4.417 ( -0.843 -3.885 3.785) 5.489 4.772 ( 3.244 0.386 -2.918) 4.380 4.972 ( 6.770 8.705 -2.171) 11.239 5.202 ( 12.052 8.132 -0.263) 14.542 5.802 ( 3.714 2.326 2.023) 4.827 5.866 ( -1.573 4.307 -4.454) 6.392 6.448 ( 6.017 -1.872 2.003) 6.612 7.031 ( -13.654 -0.926 -8.648) 16.189 7.137 ( -7.816 12.629 6.410) 16.176 7.837 ( -3.729 -1.113 3.134) 4.997 7.978 ( 11.838 1.579 -5.066) 12.973 8.456 ( -8.709 10.452 -3.887) 14.149 8.615 ( -2.543 -2.926 5.717) 6.908 9.452 ( -1.635 2.143 -4.540) 5.280 10.309 ( -0.670 -1.462 2.090) 2.637 10.608 ( 2.283 -15.944 -5.994) 17.186 11.251 ( 4.255 -3.386 1.812) 5.732 20.266 ( -3.854 -1.428 -0.188) 4.115 20.402 ( 1.577 0.023 -0.802) 1.770 20.538 ( 1.401 -1.452 -0.291) 2.039 20.609 ( 2.438 1.147 0.539) 2.748 24.865 ( 0.858 0.074 1.366) 1.614 25.477 ( -0.059 -0.104 -0.260) 0.287 32.487 ( 1.021 0.090 -0.262) 1.058 32.517 ( -0.366 -1.192 -0.458) 1.329 42.306 ( -14.032 -0.662 -2.459) 14.261 43.787 ( 6.398 4.085 -0.025) 7.591 44.020 ( 9.217 15.864 18.628) 26.146 45.507 ( -9.341 -6.347 -21.568) 24.346 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -18.611 6.054 4.349) 20.049 2.985 ( -17.556 -8.516 0.460) 19.518 3.460 ( 5.908 8.949 2.567) 11.027 3.886 ( 2.648 5.596 9.176) 11.069 4.352 ( -3.233 -3.921 -0.060) 5.082 4.708 ( -1.724 -6.471 -4.395) 8.010 5.125 ( 6.124 4.721 -2.294) 8.065 5.496 ( 6.106 2.236 5.823) 8.729 5.693 ( -3.096 7.567 -1.867) 8.386 6.120 ( 12.854 2.894 -4.561) 13.943 6.518 ( -2.573 3.853 7.107) 8.484 6.784 ( -2.611 -5.500 -6.246) 8.722 7.086 ( -10.940 2.604 0.549) 11.259 7.776 ( -4.391 1.027 1.295) 4.692 8.133 ( 8.170 0.269 -3.564) 8.917 8.446 ( -2.993 9.691 -2.411) 10.426 8.544 ( -3.849 -4.038 4.138) 6.946 9.456 ( 0.504 3.242 -2.125) 3.909 10.286 ( -0.557 -2.580 1.385) 2.981 10.474 ( -0.429 -8.269 -2.612) 8.682 11.320 ( 4.445 -1.326 0.377) 4.654 20.205 ( -2.215 -0.473 0.235) 2.277 20.419 ( 0.742 0.015 -0.468) 0.877 20.532 ( 0.294 -1.063 -0.217) 1.124 20.667 ( 2.322 0.642 0.087) 2.411 24.883 ( 0.498 0.025 0.790) 0.934 25.474 ( -0.045 -0.093 -0.161) 0.191 32.499 ( 0.506 -0.030 -1.441) 1.527 32.502 ( -0.154 -0.636 1.002) 1.197 42.097 ( -8.382 -0.240 -1.470) 8.513 43.871 ( 1.099 0.616 1.247) 1.773 44.368 ( 5.777 9.706 16.039) 19.617 45.255 ( -3.186 -2.608 -18.925) 19.368 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.992 ( 0.000 0.000 0.000) 0.000 4.282 ( -0.000 0.000 0.000) 0.000 4.634 ( -0.000 0.000 0.000) 0.000 5.227 ( -0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.932 ( 0.000 0.000 0.000) 0.000 6.059 ( -0.000 -0.000 0.000) 0.000 6.634 ( 0.000 0.000 0.000) 0.000 6.733 ( -0.000 0.000 -0.000) 0.000 6.934 ( -0.000 0.000 0.000) 0.000 7.742 ( -0.000 0.000 0.000) 0.000 8.206 ( -0.000 0.000 0.000) 0.000 8.468 ( 0.000 0.000 -0.000) 0.000 8.493 ( 0.000 -0.000 0.000) 0.000 9.478 ( 0.000 0.000 0.000) 0.000 10.268 ( 0.000 0.000 0.000) 0.000 10.424 ( -0.000 0.000 0.000) 0.000 11.354 ( -0.000 0.000 0.000) 0.000 20.185 ( 0.000 0.000 0.000) 0.000 20.424 ( -0.000 0.000 0.000) 0.000 20.530 ( -0.000 0.000 0.000) 0.000 20.691 ( -0.000 0.000 0.000) 0.000 24.890 ( 0.000 0.000 0.000) 0.000 25.472 ( -0.000 0.000 0.000) 0.000 32.495 ( -0.000 0.000 0.000) 0.000 32.505 ( 0.000 0.000 0.000) 0.000 42.020 ( 0.000 0.000 0.000) 0.000 43.880 ( -0.000 0.000 0.000) 0.000 44.518 ( 0.000 0.000 0.000) 0.000 45.162 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 162 (69/294) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -0.000 0.000 28.472) 28.472 0.441 ( -0.000 0.000 28.472) 28.472 0.916 ( -0.000 0.000 59.279) 59.279 2.944 ( -0.000 0.000 2.150) 2.150 2.944 ( -0.000 0.000 2.150) 2.150 3.785 ( -0.000 0.000 0.884) 0.884 5.657 ( 0.000 -0.000 -2.661) 2.661 5.657 ( 0.000 -0.000 -2.661) 2.661 5.685 ( 0.000 -0.000 -4.043) 4.043 5.784 ( -0.000 0.000 1.809) 1.809 6.244 ( 0.000 -0.000 -4.706) 4.706 6.244 ( 0.000 -0.000 -4.706) 4.706 7.195 ( -0.000 0.000 2.176) 2.176 7.195 ( -0.000 0.000 2.176) 2.176 8.071 ( 0.000 -0.000 -11.132) 11.132 8.101 ( -0.000 0.000 3.366) 3.366 8.101 ( -0.000 0.000 3.366) 3.366 9.315 ( -0.000 0.000 2.114) 2.114 10.312 ( 0.000 -0.000 -0.921) 0.921 10.312 ( 0.000 -0.000 -0.921) 0.921 13.007 ( -0.000 0.000 1.911) 1.911 20.489 ( 0.000 0.000 0.130) 0.130 20.489 ( -0.000 0.000 0.130) 0.130 20.593 ( 0.000 -0.000 -0.265) 0.265 20.593 ( 0.000 -0.000 -0.265) 0.265 25.296 ( 0.000 -0.000 -1.911) 1.911 25.523 ( -0.000 0.000 1.729) 1.729 32.663 ( 0.000 -0.000 -0.011) 0.011 32.697 ( -0.000 0.000 0.037) 0.037 42.231 ( -0.000 0.000 1.795) 1.795 42.231 ( -0.000 0.000 1.795) 1.795 43.120 ( 0.000 -0.000 -2.008) 2.008 43.120 ( 0.000 -0.000 -2.008) 2.008 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 24.272 34.482 15.126) 44.799 1.164 ( 12.886 15.988 38.883) 43.972 1.724 ( 60.803 14.264 24.046) 66.922 2.962 ( 2.883 1.495 -0.245) 3.257 3.164 ( 15.405 3.185 6.640) 17.075 3.693 ( -6.279 -2.999 -0.339) 6.966 4.589 ( -30.701 -9.021 37.412) 49.230 5.580 ( -8.757 -3.855 -3.580) 10.216 5.655 ( 2.140 -2.507 -1.915) 3.812 5.997 ( -2.717 9.154 -14.344) 17.231 6.125 ( -9.250 0.058 -4.670) 10.362 6.491 ( 18.812 -6.453 1.764) 19.966 7.141 ( -0.161 -4.101 -2.214) 4.663 7.312 ( 4.332 -3.108 -2.560) 5.914 7.811 ( -6.494 5.693 3.160) 9.196 8.082 ( -0.531 -2.745 2.691) 3.881 8.215 ( 4.375 6.826 5.505) 9.799 9.235 ( 0.502 -0.054 -4.907) 4.933 10.287 ( -0.998 0.168 -2.364) 2.572 11.099 ( 20.122 11.389 -17.313) 28.885 12.995 ( -2.233 -2.050 -5.404) 6.197 20.463 ( -1.173 -0.898 -0.836) 1.698 20.491 ( -0.671 0.204 0.726) 1.010 20.576 ( -0.809 -0.321 -1.468) 1.707 20.606 ( 0.755 0.102 0.315) 0.824 24.963 ( -12.422 -7.146 13.087) 19.407 25.511 ( -0.489 -0.280 0.678) 0.881 32.631 ( -1.976 -1.004 -0.157) 2.222 32.681 ( -0.896 -0.569 -0.440) 1.149 42.252 ( 4.741 0.203 -0.015) 4.746 42.318 ( 2.406 3.888 5.873) 7.443 43.072 ( 0.871 -1.530 -6.101) 6.350 45.299 ( 87.529 52.293 -94.588) 139.078 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 7.524 17.265 40.885) 45.015 1.878 ( 28.882 21.741 10.910) 37.761 2.923 ( 37.524 -0.488 6.348) 38.060 3.084 ( 9.727 17.789 4.405) 20.748 3.418 ( 17.117 -6.599 3.571) 18.690 3.710 ( 9.551 7.547 0.950) 12.210 4.470 ( -8.824 10.871 21.800) 25.909 5.371 ( -7.369 -2.777 -5.565) 9.643 5.666 ( -0.597 0.787 -1.492) 1.789 5.863 ( -7.595 -6.811 -8.709) 13.414 5.974 ( -4.640 6.377 -9.256) 12.160 6.749 ( 15.882 -4.481 4.427) 17.085 7.102 ( 4.664 -6.191 -6.952) 10.412 7.305 ( 2.020 -4.749 -2.004) 5.536 7.872 ( -3.222 14.676 2.265) 15.196 8.075 ( 3.965 -5.141 0.968) 6.564 8.408 ( 4.098 10.396 7.774) 13.613 9.261 ( 4.772 1.741 -6.579) 8.312 10.254 ( -1.218 -0.229 -3.535) 3.746 11.204 ( -1.785 -1.085 -2.178) 3.018 12.827 ( -9.266 -6.322 -4.555) 12.107 20.415 ( -2.740 -1.406 -0.129) 3.082 20.491 ( 0.030 0.442 -0.384) 0.586 20.545 ( -1.459 -0.013 -2.160) 2.607 20.625 ( 1.393 -0.300 0.490) 1.507 24.851 ( -4.032 -2.300 7.249) 8.608 25.503 ( -0.441 -0.248 0.138) 0.524 32.580 ( -2.510 -1.221 -0.658) 2.868 32.654 ( -1.107 -0.761 -0.886) 1.609 42.379 ( 9.546 -0.718 1.702) 9.724 42.448 ( 2.709 6.965 7.772) 10.782 43.054 ( 2.526 -0.052 -9.465) 9.797 46.144 ( 31.667 20.155 -54.354) 66.056 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 2.459 15.415 30.524) 34.284 2.527 ( 21.485 11.538 7.687) 25.570 3.039 ( -0.672 -1.974 6.173) 6.515 3.307 ( 10.895 -8.623 4.530) 14.615 3.741 ( 3.559 2.933 6.722) 8.152 4.253 ( 25.234 14.117 -0.773) 28.925 4.635 ( 4.399 14.057 10.212) 17.923 5.286 ( 0.800 0.569 -7.242) 7.309 5.513 ( -7.032 2.670 -3.242) 8.191 5.803 ( 6.841 -5.485 1.985) 8.990 5.948 ( -0.238 7.639 -11.013) 13.405 6.935 ( 7.390 -3.383 -0.546) 8.146 7.140 ( 11.996 -5.980 -5.310) 14.417 7.284 ( 1.185 -0.421 -3.212) 3.449 7.946 ( -2.644 5.385 6.331) 8.722 8.152 ( 7.587 1.137 -2.230) 7.989 8.618 ( 2.196 12.272 8.906) 15.321 9.350 ( 6.860 2.848 -6.675) 9.987 10.207 ( -1.019 -1.329 -3.816) 4.167 11.084 ( -7.738 -4.443 0.788) 8.957 12.537 ( -13.750 -8.580 -2.345) 16.376 20.352 ( -2.875 -1.633 0.363) 3.326 20.476 ( -2.253 -0.323 -0.592) 2.352 20.523 ( 0.280 1.115 -2.460) 2.715 20.650 ( 1.728 -0.561 0.290) 1.839 24.821 ( -1.672 -0.939 4.351) 4.755 25.493 ( -0.398 -0.222 -0.201) 0.498 32.521 ( -2.521 -1.195 -0.642) 2.862 32.623 ( -0.943 -0.712 -1.132) 1.636 42.549 ( 7.334 -0.130 8.538) 11.256 42.623 ( 7.162 5.205 3.543) 9.537 43.056 ( 2.476 2.381 -10.337) 10.893 46.437 ( 14.841 10.409 -32.183) 36.937 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -7.419 9.174 8.098) 14.310 2.851 ( -5.384 12.027 14.232) 19.396 3.084 ( 12.888 -16.143 11.179) 23.487 3.483 ( 15.485 -5.194 4.146) 16.851 3.854 ( 2.885 6.042 4.954) 8.329 4.413 ( -6.244 8.170 -1.270) 10.361 4.774 ( -7.919 -3.265 -2.881) 9.037 5.288 ( 6.989 5.395 2.116) 9.079 5.756 ( 17.037 9.947 -2.501) 19.886 5.912 ( 6.147 2.342 2.189) 6.933 5.990 ( 3.267 3.491 -6.305) 7.913 6.933 ( 0.545 -4.385 -5.421) 6.994 7.282 ( 10.202 -4.453 0.175) 11.133 7.394 ( 11.223 11.009 -8.755) 17.995 7.970 ( 2.040 -6.157 9.194) 11.252 8.289 ( 5.580 4.759 -1.761) 7.542 8.791 ( -1.486 12.292 7.124) 14.284 9.466 ( 7.401 3.041 -6.651) 10.405 10.165 ( 0.450 -2.284 -2.601) 3.491 10.886 ( -10.321 -5.248 0.255) 11.581 12.205 ( -13.782 -8.153 -1.274) 16.063 20.298 ( -1.836 -1.360 0.504) 2.340 20.417 ( -3.267 -0.530 -0.812) 3.408 20.540 ( 1.283 1.499 -1.846) 2.702 20.671 ( 1.188 -0.734 0.154) 1.405 24.812 ( -0.870 -0.477 2.771) 2.943 25.485 ( -0.221 -0.124 -0.332) 0.418 32.470 ( -1.912 -0.896 -0.361) 2.142 32.599 ( -0.529 -0.461 -1.100) 1.304 42.688 ( 2.502 1.733 6.931) 7.570 42.802 ( 10.429 -2.317 1.650) 10.810 43.090 ( 1.282 6.823 -4.573) 8.313 46.571 ( 8.280 6.310 -20.220) 22.743 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -7.208 5.932 -0.344) 9.341 2.761 ( -10.806 -5.458 9.259) 15.241 3.233 ( 4.539 -0.313 6.771) 8.157 3.729 ( 11.590 0.106 3.390) 12.076 3.989 ( 5.871 -1.445 9.787) 11.504 4.381 ( -5.566 4.265 0.667) 7.044 4.495 ( -7.917 -7.678 -5.244) 12.212 5.535 ( 6.020 12.194 5.306) 14.597 5.909 ( 2.128 -6.759 -5.430) 8.928 6.057 ( 3.807 2.258 -2.013) 4.863 6.084 ( 5.193 7.183 2.043) 9.096 6.877 ( -1.269 0.861 -2.237) 2.712 7.381 ( 5.617 -3.275 -1.354) 6.641 7.671 ( 8.272 9.769 -7.913) 15.049 8.054 ( 13.291 -6.218 5.327) 15.611 8.402 ( 3.682 3.715 -0.113) 5.231 8.842 ( -7.863 7.061 3.299) 11.071 9.601 ( 8.844 3.410 -5.319) 10.869 10.148 ( 0.405 -1.938 -0.360) 2.012 10.653 ( -10.563 -4.427 0.030) 11.453 11.938 ( -8.571 -5.046 -2.109) 10.167 20.269 ( -0.795 -0.716 0.014) 1.070 20.361 ( -2.211 -0.404 -0.098) 2.250 20.571 ( 1.470 1.438 -1.378) 2.475 20.676 ( 0.267 -0.724 0.231) 0.806 24.807 ( -0.687 -0.375 1.657) 1.833 25.481 ( 0.004 0.000 -0.229) 0.229 32.438 ( -0.945 -0.472 0.004) 1.056 32.586 ( -0.046 -0.109 -0.817) 0.826 42.710 ( 0.357 -2.282 -5.894) 6.331 42.948 ( 6.308 -1.592 7.188) 9.696 43.183 ( 1.005 7.072 4.697) 8.549 46.650 ( 5.618 4.171 -12.898) 14.674 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -2.227 3.120 -1.158) 4.004 2.593 ( -5.065 -4.172 1.978) 6.854 3.233 ( -6.518 0.071 0.061) 6.519 3.860 ( 0.497 2.709 0.216) 2.763 3.997 ( -7.995 -6.383 6.215) 11.970 4.309 ( 7.872 -4.637 -0.330) 9.142 4.533 ( 4.865 4.824 11.333) 13.243 5.607 ( -2.855 -11.497 -4.146) 12.551 5.873 ( -0.101 6.699 -1.509) 6.868 6.070 ( 0.933 -1.237 -2.816) 3.214 6.227 ( 1.057 5.123 6.136) 8.063 6.906 ( 0.125 6.414 2.775) 6.990 7.379 ( -0.030 -3.617 -4.835) 6.039 7.759 ( 1.660 2.294 -0.903) 2.972 8.227 ( 4.171 -2.584 -0.634) 4.947 8.475 ( 1.136 -2.228 -0.872) 2.648 8.716 ( -7.239 -1.120 -1.448) 7.467 9.726 ( 2.185 2.063 -3.035) 4.271 10.148 ( 1.156 1.758 2.092) 2.967 10.523 ( -0.385 0.192 0.330) 0.542 11.811 ( -0.945 -0.818 -4.516) 4.686 20.249 ( -0.807 0.018 -1.093) 1.359 20.349 ( 0.842 0.029 1.182) 1.451 20.595 ( 0.552 0.557 -0.848) 1.155 20.674 ( 0.003 -0.028 0.373) 0.374 24.797 ( -0.752 -0.420 0.803) 1.177 25.482 ( 0.169 0.091 -0.017) 0.193 32.430 ( 0.159 0.001 0.325) 0.362 32.587 ( 0.379 0.224 -0.454) 0.632 42.622 ( -1.209 -4.111 -11.284) 12.070 43.038 ( -0.516 0.582 8.977) 9.010 43.288 ( 1.034 2.768 9.724) 10.163 46.717 ( 4.763 2.964 -8.091) 9.845 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -5.446 -3.015 -4.520) 7.693 2.564 ( 5.418 -2.672 -0.585) 6.070 3.058 ( -13.216 3.421 -4.642) 14.419 3.688 ( -15.409 0.730 0.597) 15.438 3.963 ( -0.656 -2.633 6.176) 6.745 4.424 ( 10.196 -8.427 3.451) 13.671 4.758 ( 6.925 5.351 11.348) 14.330 5.348 ( -5.242 -14.655 -5.835) 16.622 5.853 ( -4.027 -1.033 -6.127) 7.404 6.088 ( -2.105 2.891 3.295) 4.862 6.266 ( -3.985 1.266 7.417) 8.514 7.007 ( 0.058 7.263 4.164) 8.373 7.283 ( -2.146 -3.463 -6.167) 7.391 7.807 ( -1.149 5.177 -2.070) 5.693 8.014 ( -19.027 -11.606 5.266) 22.901 8.384 ( -2.004 -4.955 -0.952) 5.429 8.639 ( 1.150 -6.590 -8.960) 11.182 9.682 ( -4.597 -0.501 -0.272) 4.633 10.228 ( 1.117 3.621 3.703) 5.298 10.659 ( 10.910 5.536 0.761) 12.258 11.848 ( 7.392 3.992 -7.738) 11.422 20.241 ( 0.400 0.687 -1.343) 1.560 20.392 ( 2.656 0.577 1.456) 3.083 20.588 ( -0.670 -0.530 -0.399) 0.943 20.682 ( -0.056 0.775 0.552) 0.953 24.782 ( -0.845 -0.482 0.234) 1.001 25.487 ( 0.238 0.129 0.130) 0.300 32.447 ( 1.235 0.503 0.554) 1.444 32.598 ( 0.718 0.468 -0.239) 0.889 42.491 ( -2.064 -4.246 -11.981) 12.878 43.024 ( -6.694 -0.259 8.910) 11.147 43.364 ( -0.043 -0.288 11.414) 11.418 46.788 ( 4.628 2.364 -5.077) 7.265 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -14.024 -12.975 -7.305) 20.455 2.698 ( 11.734 0.260 -2.979) 12.109 2.807 ( -20.070 4.359 -4.760) 21.082 3.464 ( -15.359 4.450 2.657) 16.210 3.886 ( -5.038 -7.593 5.223) 10.503 4.476 ( 4.667 -13.927 2.198) 14.851 4.868 ( -4.360 -6.299 6.015) 9.740 5.240 ( 8.190 0.118 -1.083) 8.262 5.688 ( -8.560 -6.898 -3.827) 11.641 5.963 ( -17.144 3.150 3.987) 17.881 6.271 ( 1.041 -1.606 9.142) 9.340 6.968 ( -8.317 -0.660 -6.857) 10.800 7.283 ( 2.011 5.025 2.440) 5.937 7.506 ( -18.186 -6.631 -2.270) 19.490 7.915 ( 2.047 -2.488 6.502) 7.256 8.283 ( -4.206 -5.221 -1.292) 6.828 8.502 ( -2.849 -6.162 -9.702) 11.842 9.588 ( -5.220 -2.268 0.301) 5.700 10.288 ( 0.555 2.349 4.161) 4.810 10.912 ( 10.172 5.559 2.904) 11.951 12.057 ( 15.223 8.836 -10.987) 20.749 20.266 ( 2.174 1.294 -1.291) 2.841 20.455 ( 2.956 0.810 1.358) 3.352 20.568 ( -0.605 -0.610 -0.304) 0.911 20.683 ( -1.162 0.572 0.795) 1.519 24.763 ( -0.863 -0.498 0.025) 0.996 25.493 ( 0.243 0.134 0.133) 0.307 32.485 ( 2.077 0.963 0.631) 2.374 32.616 ( 1.009 0.636 -0.274) 1.224 42.359 ( -1.848 -3.721 -10.723) 11.500 42.907 ( -10.787 -2.491 8.858) 14.179 43.391 ( -2.224 -1.909 10.610) 11.008 46.866 ( 4.598 2.231 -4.027) 6.507 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -18.575 -17.760 -3.833) 25.984 2.351 ( -32.609 -1.641 -5.013) 33.033 2.902 ( 13.732 -2.580 -3.607) 14.430 3.253 ( -16.232 2.464 2.224) 16.568 3.765 ( -6.389 -2.360 5.604) 8.820 4.237 ( -14.672 -22.036 -2.002) 26.549 4.518 ( -25.172 -17.907 6.465) 31.561 5.459 ( -3.612 -4.550 4.029) 7.070 5.499 ( 16.206 -0.318 -2.111) 16.346 5.804 ( -10.525 13.387 1.401) 17.087 6.336 ( 3.248 -4.140 10.732) 11.952 6.737 ( -10.855 -1.044 -11.392) 15.770 7.224 ( -5.297 -3.511 -2.903) 6.986 7.418 ( -0.670 7.763 6.533) 10.168 7.884 ( 1.409 -15.958 -1.885) 16.131 8.165 ( -7.665 4.510 3.263) 9.474 8.360 ( -3.304 -4.089 -5.902) 7.904 9.470 ( -5.242 -2.957 -0.601) 6.048 10.333 ( 0.294 0.971 3.432) 3.579 11.131 ( 7.933 4.283 5.425) 10.521 12.384 ( 18.383 10.839 -13.104) 25.042 20.322 ( 3.365 1.700 -1.205) 3.958 20.512 ( 2.004 0.289 1.450) 2.490 20.559 ( 0.275 0.025 -0.516) 0.585 20.660 ( -2.281 0.039 0.690) 2.383 24.745 ( -0.773 -0.446 0.407) 0.981 25.499 ( 0.222 0.126 0.044) 0.259 32.538 ( 2.445 1.251 0.466) 2.786 32.640 ( 1.229 0.734 -0.461) 1.504 42.254 ( -0.757 -2.837 -8.467) 8.962 42.718 ( -12.604 -4.163 8.364) 15.689 43.362 ( -4.133 -2.962 8.442) 9.856 46.938 ( 4.281 2.326 -7.043) 8.564 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -18.926 -17.643 8.973) 27.386 1.658 ( -39.600 -9.377 -2.445) 40.768 2.811 ( -36.407 -20.924 2.598) 42.072 3.018 ( 2.592 -6.287 -1.377) 6.939 3.579 ( -25.546 -12.265 10.787) 30.321 3.682 ( -7.155 -0.688 -2.989) 7.785 4.073 ( -10.592 -10.533 6.747) 16.391 5.496 ( 4.947 2.499 1.997) 5.891 5.639 ( 5.680 -5.196 -2.941) 8.241 5.926 ( 3.087 17.935 0.246) 18.200 6.381 ( 0.400 -5.396 5.387) 7.635 6.504 ( -6.889 -4.087 -5.416) 9.670 7.166 ( 2.902 -2.819 -1.527) 4.324 7.499 ( -4.786 11.443 7.799) 14.652 7.670 ( -1.424 -17.945 -9.817) 20.505 8.136 ( -6.460 5.998 7.080) 11.306 8.242 ( -3.126 -4.816 -2.932) 6.447 9.362 ( -3.459 -2.231 -2.453) 4.792 10.347 ( -0.747 0.061 2.020) 2.154 11.315 ( 5.539 2.990 5.462) 8.334 12.717 ( 16.794 9.549 -13.771) 23.725 20.392 ( 3.445 1.786 -1.039) 4.017 20.532 ( -0.109 -0.833 1.480) 1.702 20.575 ( 0.974 0.861 -0.761) 1.506 20.622 ( -1.902 -0.297 0.137) 1.930 24.738 ( -0.279 -0.156 2.717) 2.735 25.504 ( 0.190 0.112 -0.019) 0.221 32.592 ( 2.192 1.235 0.074) 2.517 32.666 ( 1.204 0.690 -0.621) 1.521 42.195 ( 0.700 -1.688 -5.596) 5.887 42.505 ( -11.784 -4.440 6.910) 14.364 43.288 ( -4.809 -3.512 5.494) 8.102 46.943 ( 1.118 0.989 -24.965) 25.010 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 18.386 27.154 15.553) 36.294 1.303 ( 1.314 18.969 35.744) 40.487 1.993 ( -11.314 53.345 31.905) 63.179 3.045 ( 1.554 4.146 5.518) 7.075 3.143 ( -5.163 18.273 0.187) 18.989 3.716 ( -0.323 -4.965 1.798) 5.290 4.700 ( 6.791 -35.681 29.404) 46.732 5.570 ( -5.118 -5.336 -6.704) 9.981 5.627 ( 2.993 -2.216 -1.431) 3.989 6.012 ( 11.519 3.259 -9.136) 15.059 6.109 ( 4.997 -3.407 -7.334) 9.506 6.473 ( -17.456 13.426 0.309) 22.025 7.230 ( -0.459 -1.762 0.049) 1.821 7.275 ( -8.609 5.927 -4.078) 11.220 7.712 ( 6.854 -10.672 -1.964) 12.834 8.152 ( -1.986 2.435 2.650) 4.110 8.227 ( 5.776 5.420 7.785) 11.106 9.210 ( -0.343 -1.410 -3.864) 4.128 10.334 ( 0.820 1.944 -0.590) 2.191 11.030 ( -0.369 33.971 -19.048) 38.948 12.860 ( -0.660 -17.744 -1.448) 17.816 20.446 ( -0.208 -3.109 -0.441) 3.147 20.521 ( 0.469 2.246 0.683) 2.394 20.568 ( 0.039 -1.129 -1.200) 1.648 20.603 ( -0.143 0.321 -0.178) 0.394 25.024 ( 0.025 -14.106 9.992) 17.286 25.516 ( 0.002 -0.924 1.105) 1.441 32.630 ( 0.125 -2.342 -0.161) 2.351 32.678 ( -0.062 -1.391 -0.299) 1.424 42.171 ( -1.186 -3.759 -0.040) 3.942 42.412 ( 1.188 11.523 6.746) 13.405 43.211 ( -2.481 7.345 -0.302) 7.758 44.724 ( 2.211 95.612 -81.174) 125.442 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 21.559 11.473 31.474) 39.838 1.918 ( 26.553 27.626 20.330) 43.377 2.600 ( 11.388 42.719 15.364) 46.804 3.030 ( 2.912 -3.166 3.211) 5.368 3.417 ( -1.410 20.042 5.685) 20.880 3.685 ( 2.875 5.619 0.972) 6.386 4.677 ( 1.624 -9.169 22.548) 24.395 5.393 ( -4.348 -6.507 -7.410) 10.778 5.630 ( 0.777 0.310 1.219) 1.479 5.955 ( -9.400 3.270 -16.541) 19.305 6.247 ( -12.051 7.830 0.262) 14.374 6.362 ( 16.185 -2.209 -1.694) 16.423 7.051 ( -6.354 -3.832 -3.611) 8.252 7.264 ( -0.255 0.726 -1.509) 1.694 7.816 ( 11.719 -1.303 -5.668) 13.082 8.117 ( -5.317 2.224 3.329) 6.656 8.478 ( 6.938 10.491 10.248) 16.224 9.193 ( 1.606 2.171 -5.922) 6.509 10.308 ( -4.504 3.071 -2.106) 5.844 11.234 ( 0.799 11.426 -7.174) 13.515 12.676 ( 3.753 -23.517 -4.722) 24.278 20.418 ( 0.736 -2.550 -1.564) 3.081 20.518 ( -2.513 0.738 1.304) 2.926 20.552 ( -0.633 0.287 -1.757) 1.889 20.606 ( 0.344 -0.378 0.264) 0.575 24.924 ( -3.755 -6.023 7.678) 10.456 25.508 ( -0.393 -0.628 0.533) 0.912 32.595 ( -1.358 -2.052 -0.624) 2.539 32.653 ( -0.709 -1.680 -0.650) 1.936 42.191 ( 7.868 -4.262 -0.108) 8.949 42.590 ( -0.909 14.602 9.784) 17.600 43.144 ( -9.315 11.875 -5.326) 16.005 45.497 ( 36.846 40.382 -62.217) 82.821 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 18.617 8.307 32.462) 38.333 2.572 ( 1.491 31.223 20.529) 37.397 2.979 ( 7.227 0.946 2.548) 7.721 3.345 ( -1.340 9.629 -3.906) 10.477 3.540 ( 21.848 10.416 10.453) 26.364 3.986 ( 14.361 15.056 3.652) 21.125 4.738 ( -0.350 -3.669 9.161) 9.875 5.287 ( -1.802 2.038 -4.277) 5.069 5.670 ( -10.219 -2.294 -5.817) 11.980 5.712 ( 3.112 7.563 -3.929) 9.073 6.107 ( -12.488 11.945 -2.427) 17.451 6.660 ( 19.854 -5.595 -1.049) 20.654 6.956 ( 1.142 0.075 -7.161) 7.252 7.262 ( 0.375 0.571 -0.688) 0.969 7.952 ( 7.660 -5.989 -1.772) 9.884 8.092 ( -1.178 7.119 -0.156) 7.217 8.740 ( 4.494 11.652 10.507) 16.320 9.250 ( 4.823 4.324 -6.124) 8.914 10.239 ( -4.716 2.002 -3.367) 6.130 11.204 ( -7.845 1.090 -0.278) 7.925 12.456 ( 0.880 -24.787 -5.274) 25.357 20.390 ( -1.389 -0.948 -1.885) 2.526 20.498 ( -0.243 -0.222 0.460) 0.566 20.524 ( -2.428 0.736 -1.481) 2.938 20.611 ( 1.238 -1.596 0.701) 2.138 24.867 ( -2.416 -2.270 5.185) 6.154 25.497 ( -0.454 -0.454 0.015) 0.642 32.544 ( -2.041 -1.610 -0.721) 2.697 32.620 ( -0.698 -1.619 -1.037) 2.045 42.335 ( 13.383 -4.397 1.123) 14.132 42.740 ( -4.078 13.523 9.195) 16.853 43.128 ( -4.171 14.459 -5.544) 16.038 46.009 ( 25.702 14.348 -41.494) 50.875 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -9.997 15.521 21.613) 28.425 2.870 ( 8.639 12.391 12.346) 19.509 3.146 ( 4.472 5.585 2.511) 7.582 3.291 ( -4.521 6.890 10.422) 13.287 3.902 ( 3.042 3.845 9.961) 11.102 4.469 ( 14.030 8.594 -3.400) 16.801 4.717 ( 10.815 -8.623 -0.865) 13.859 5.090 ( -7.055 -9.048 -9.541) 14.922 5.748 ( 7.607 16.176 2.365) 18.031 5.879 ( 6.021 8.607 0.422) 10.513 6.034 ( -7.360 9.709 -2.121) 12.367 6.827 ( 7.777 -3.682 -2.487) 8.957 7.055 ( 10.293 2.406 -5.302) 11.826 7.318 ( 5.312 7.178 -2.977) 9.413 7.924 ( -0.282 -9.213 4.957) 10.466 8.218 ( 6.534 5.886 -3.604) 9.504 8.950 ( 1.776 10.471 7.859) 13.212 9.356 ( 5.618 4.686 -6.200) 9.590 10.164 ( -3.290 0.605 -2.708) 4.304 11.031 ( -11.155 -2.452 0.392) 11.428 12.180 ( -2.625 -23.083 -3.864) 23.552 20.340 ( -2.846 0.212 -0.940) 3.005 20.471 ( -3.513 0.296 -1.076) 3.686 20.509 ( 1.636 -0.203 -0.706) 1.793 20.625 ( 2.122 -2.307 0.630) 3.197 24.842 ( -1.507 -0.913 3.494) 3.913 25.486 ( -0.318 -0.252 -0.279) 0.493 32.493 ( -2.013 -1.076 -0.464) 2.329 32.591 ( -0.288 -1.268 -1.192) 1.764 42.543 ( 14.677 -4.852 1.575) 15.538 42.804 ( -5.446 11.818 2.408) 13.234 43.218 ( -2.452 15.148 2.842) 15.606 46.273 ( 17.545 3.752 -27.781) 33.071 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -21.504 21.941 1.584) 30.762 2.955 ( -10.600 -3.502 12.364) 16.658 3.310 ( 2.436 13.292 9.775) 16.678 3.547 ( 13.330 5.402 9.381) 17.172 3.961 ( 0.329 -1.354 8.353) 8.468 4.478 ( -4.650 -2.443 -2.639) 5.879 4.575 ( -11.794 -4.187 -5.975) 13.869 5.288 ( 26.247 -6.382 -0.877) 27.026 5.956 ( -4.228 10.417 -2.641) 11.549 5.997 ( 4.002 3.619 -4.646) 7.120 6.097 ( 3.596 8.862 6.558) 11.596 6.921 ( 2.961 5.571 2.571) 6.813 7.184 ( 8.991 -2.944 -5.462) 10.924 7.580 ( 12.048 16.923 -8.686) 22.517 7.861 ( 2.852 -11.507 7.189) 13.864 8.344 ( 5.323 1.734 -1.868) 5.901 9.054 ( -4.957 7.422 3.479) 9.579 9.461 ( 7.169 3.239 -6.400) 10.141 10.134 ( -0.059 0.841 0.148) 0.856 10.803 ( -11.870 -3.915 -0.128) 12.500 11.908 ( -2.691 -18.380 -3.501) 18.903 20.298 ( -2.267 1.059 -0.413) 2.536 20.407 ( -3.450 -0.065 -0.541) 3.493 20.537 ( 2.293 -0.013 -1.104) 2.545 20.640 ( 1.966 -2.598 0.563) 3.306 24.829 ( -1.167 -0.459 2.285) 2.607 25.480 ( -0.062 -0.035 -0.292) 0.301 32.454 ( -1.436 -0.530 -0.094) 1.534 32.575 ( 0.255 -0.807 -1.031) 1.334 42.669 ( 3.275 -1.067 -7.135) 7.923 42.890 ( 3.241 7.980 6.502) 10.792 43.335 ( -3.455 11.670 9.445) 15.405 46.419 ( 13.383 -1.278 -19.006) 23.280 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -18.876 21.351 0.367) 28.501 2.766 ( -14.276 1.033 7.230) 16.035 3.419 ( -7.260 7.480 3.614) 11.032 3.806 ( 8.854 4.094 3.266) 10.287 4.050 ( 4.287 -3.016 9.833) 11.143 4.199 ( -8.240 -7.913 -7.744) 13.802 4.579 ( 2.916 5.204 10.284) 11.889 5.452 ( 3.659 -11.962 -4.557) 13.313 5.976 ( -2.169 8.680 -1.693) 9.106 6.014 ( 1.652 -0.848 -4.765) 5.114 6.271 ( 3.727 4.830 8.377) 10.363 7.052 ( -1.957 12.952 6.738) 14.731 7.242 ( 6.357 -5.779 -7.362) 11.314 7.740 ( 1.128 2.794 -2.827) 4.132 8.017 ( 15.732 1.587 -1.549) 15.888 8.395 ( 2.662 -4.401 -1.795) 5.448 8.931 ( -14.212 0.731 -0.781) 14.252 9.622 ( 9.860 3.604 -4.129) 11.281 10.169 ( 0.964 2.819 2.761) 4.062 10.590 ( -7.907 -2.151 -0.077) 8.195 11.719 ( 1.097 -12.755 -4.830) 13.683 20.278 ( -1.784 1.876 -0.791) 2.707 20.361 ( -1.500 0.146 0.536) 1.600 20.569 ( 2.040 -0.132 -1.136) 2.338 20.646 ( 1.610 -2.751 0.679) 3.259 24.815 ( -1.134 -0.368 1.388) 1.829 25.480 ( 0.157 0.111 -0.131) 0.233 32.435 ( -0.525 -0.023 0.227) 0.572 32.573 ( 0.720 -0.425 -0.719) 1.103 42.612 ( -3.956 3.114 -11.740) 12.774 43.066 ( 4.118 3.340 9.543) 10.917 43.417 ( -4.094 7.125 12.136) 14.657 46.520 ( 11.549 -3.478 -13.254) 17.920 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -18.106 14.168 3.022) 23.188 2.606 ( -10.102 4.854 2.781) 11.547 3.333 ( -8.706 10.107 -4.823) 14.185 3.888 ( -6.693 -8.470 1.234) 10.865 3.980 ( -2.065 6.118 3.929) 7.558 4.201 ( 7.075 -5.307 2.531) 9.199 4.779 ( 5.175 4.569 14.651) 16.196 5.253 ( -5.218 -13.219 -4.852) 15.017 5.884 ( -4.971 -2.557 -5.820) 8.070 6.122 ( 3.537 5.726 1.313) 6.857 6.377 ( -0.524 1.232 8.644) 8.747 7.122 ( -3.795 3.617 0.763) 5.298 7.226 ( 1.265 0.384 -5.894) 6.040 7.808 ( 3.126 4.478 0.990) 5.550 8.154 ( -2.294 -6.634 -1.887) 7.269 8.331 ( 0.908 -6.171 -1.842) 6.504 8.652 ( -13.479 -2.507 -3.635) 14.184 9.723 ( 0.218 0.419 -2.316) 2.363 10.263 ( 2.350 5.114 3.911) 6.854 10.569 ( 5.588 5.050 0.067) 7.532 11.653 ( 7.337 -8.866 -7.178) 13.563 20.264 ( -1.581 2.663 -1.310) 3.363 20.372 ( 1.313 0.897 1.425) 2.135 20.580 ( 0.369 -1.008 -0.810) 1.345 20.655 ( 2.200 -2.494 0.635) 3.386 24.798 ( -1.173 -0.391 0.830) 1.490 25.485 ( 0.255 0.155 0.013) 0.298 32.439 ( 0.549 0.435 0.455) 0.835 32.582 ( 1.035 -0.187 -0.526) 1.177 42.498 ( -5.909 3.950 -12.390) 14.284 43.146 ( -2.780 -1.055 11.014) 11.408 43.473 ( -3.093 4.801 11.497) 12.838 46.613 ( 10.670 -3.594 -9.765) 14.904 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -24.222 1.638 2.940) 24.455 2.582 ( -1.040 5.620 2.593) 6.276 3.310 ( -14.217 25.472 -8.078) 30.268 3.698 ( -9.220 -5.418 1.568) 10.809 3.892 ( -6.537 -8.863 3.352) 11.511 4.276 ( 5.209 -7.056 6.608) 10.981 4.894 ( -2.497 -7.479 9.774) 12.558 5.111 ( 4.245 -1.406 -2.601) 5.173 5.749 ( -5.631 -2.091 -2.689) 6.581 6.211 ( -1.281 4.764 3.025) 5.787 6.348 ( -7.296 -1.164 7.633) 10.623 6.996 ( -4.554 -6.475 -10.253) 12.954 7.281 ( 3.530 4.773 -1.074) 6.033 7.743 ( -17.332 -8.862 -6.783) 20.614 7.937 ( -5.241 -1.631 9.602) 11.060 8.298 ( -1.709 -1.041 -0.811) 2.159 8.476 ( -3.275 -1.441 -3.870) 5.270 9.657 ( -4.994 -1.067 -1.680) 5.376 10.328 ( -0.075 1.704 3.394) 3.798 10.834 ( 11.242 11.716 2.325) 16.403 11.733 ( 16.632 -5.985 -10.443) 20.531 20.272 ( -0.289 3.918 -1.287) 4.134 20.425 ( 2.515 1.180 1.496) 3.156 20.562 ( -0.278 -1.558 -0.489) 1.656 20.669 ( 1.762 -2.740 0.494) 3.295 24.778 ( -1.146 -0.408 0.695) 1.401 25.491 ( 0.260 0.128 0.035) 0.292 32.465 ( 1.583 0.752 0.555) 1.838 32.598 ( 1.270 -0.004 -0.593) 1.402 42.374 ( -6.090 4.247 -11.284) 13.508 43.072 ( -8.195 -6.056 11.879) 15.651 43.511 ( -4.021 3.460 8.894) 10.356 46.710 ( 9.653 -2.067 -8.761) 13.198 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -27.132 -1.932 7.978) 28.347 2.662 ( 1.641 1.514 1.984) 2.987 3.077 ( -34.217 18.218 -5.686) 39.180 3.450 ( -7.294 -11.458 1.629) 13.680 3.862 ( -0.441 8.282 2.066) 8.547 4.203 ( -6.615 -16.933 5.982) 19.138 4.703 ( -10.221 -13.321 3.816) 17.218 5.261 ( 10.381 1.218 -0.169) 10.454 5.591 ( -11.226 -2.445 3.270) 11.945 6.149 ( -12.248 10.992 2.409) 16.632 6.303 ( 0.544 -5.236 7.697) 9.325 6.774 ( -6.003 -7.119 -13.641) 16.516 7.311 ( -9.810 -3.205 -8.227) 13.198 7.433 ( 2.656 -1.155 2.320) 3.711 7.820 ( -7.153 -4.834 0.165) 8.635 8.301 ( -0.512 2.376 1.071) 2.656 8.401 ( -6.352 1.293 4.479) 7.879 9.536 ( -6.209 -1.681 -2.619) 6.946 10.351 ( 0.236 -0.278 2.729) 2.754 11.107 ( 6.185 9.234 5.044) 12.205 11.994 ( 24.644 -0.421 -12.889) 27.814 20.316 ( 0.952 5.161 -1.256) 5.397 20.484 ( 2.333 0.226 1.376) 2.718 20.546 ( 0.369 -0.913 -0.360) 1.048 20.660 ( 0.502 -3.457 0.236) 3.501 24.760 ( -0.957 -0.365 1.159) 1.547 25.496 ( 0.245 0.081 -0.038) 0.261 32.509 ( 2.328 0.779 0.447) 2.496 32.618 ( 1.483 0.221 -0.828) 1.713 42.270 ( -5.050 4.830 -9.090) 11.466 42.896 ( -10.647 -9.107 11.480) 18.113 43.483 ( -6.174 0.717 5.598) 8.365 46.798 ( 7.478 0.384 -11.919) 14.076 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -26.172 2.947 20.020) 33.083 2.318 ( -38.883 -4.646 6.950) 39.771 2.919 ( 2.229 4.450 -4.065) 6.426 3.206 ( -20.059 0.130 -1.138) 20.092 3.793 ( -14.697 -21.120 5.316) 26.274 3.899 ( -13.999 4.424 -3.814) 15.169 4.321 ( -20.602 -5.377 14.736) 25.894 5.434 ( 7.085 -0.475 -4.843) 8.595 5.477 ( 2.006 0.045 6.411) 6.718 6.161 ( -4.823 16.016 2.895) 16.975 6.272 ( 2.146 -12.771 3.626) 13.448 6.540 ( -6.666 -4.163 -12.521) 14.783 7.134 ( -3.055 0.192 -6.250) 6.959 7.433 ( 1.641 -12.159 -4.825) 13.184 7.743 ( -3.387 9.534 3.012) 10.557 8.232 ( -4.690 -5.020 -2.797) 7.418 8.371 ( -7.483 5.138 12.276) 15.267 9.402 ( -5.506 -1.121 -4.400) 7.136 10.356 ( 0.114 -1.714 1.326) 2.170 11.276 ( 4.797 1.277 4.621) 6.782 12.383 ( 23.844 7.336 -11.620) 27.521 20.385 ( 1.488 5.560 -1.403) 5.924 20.506 ( 1.218 -2.737 1.109) 3.194 20.564 ( 1.260 1.163 -0.015) 1.715 20.624 ( -0.406 -3.489 -0.396) 3.535 24.755 ( -0.255 -0.216 2.890) 2.909 25.501 ( 0.249 0.037 -0.093) 0.268 32.559 ( 2.598 0.455 0.086) 2.639 32.643 ( 1.569 0.381 -0.998) 1.899 42.212 ( -3.333 6.083 -6.202) 9.305 42.672 ( -11.175 -9.626 9.999) 17.819 43.377 ( -6.992 -3.320 1.582) 7.900 46.810 ( 1.304 2.678 -24.790) 24.968 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -30.837 24.133 8.700) 40.113 1.716 ( -9.930 9.564 40.732) 43.002 2.881 ( -15.426 26.750 12.623) 33.359 3.147 ( -2.513 24.607 4.333) 25.111 3.497 ( -18.134 11.447 4.987) 22.017 3.690 ( 5.476 11.773 6.004) 14.305 4.446 ( 6.780 -14.048 21.203) 26.322 5.445 ( 11.273 -4.268 -2.787) 12.372 5.620 ( -9.005 -3.283 -6.989) 11.862 5.746 ( 7.990 -5.865 -8.845) 13.284 6.049 ( 4.833 4.612 -7.258) 9.864 6.799 ( -8.017 7.740 5.099) 12.255 7.211 ( 2.159 5.169 -5.247) 7.675 7.400 ( 1.520 8.515 -6.399) 10.759 7.595 ( -8.118 -10.912 0.193) 13.602 8.169 ( 3.511 3.947 5.559) 7.668 8.299 ( -4.742 2.245 5.268) 7.435 9.212 ( -2.194 3.167 -5.639) 6.830 10.292 ( 4.232 2.571 -1.772) 5.260 11.236 ( -0.645 11.230 -7.174) 13.341 12.698 ( -4.029 -22.620 -4.701) 23.452 20.424 ( -0.950 -2.686 -1.001) 3.019 20.510 ( 3.339 1.931 0.810) 3.941 20.537 ( 1.062 -1.482 -1.726) 2.511 20.617 ( -1.220 0.023 0.152) 1.230 24.923 ( 3.763 -6.041 7.660) 10.456 25.508 ( 0.397 -0.634 0.535) 0.919 32.591 ( 1.467 -2.178 -0.722) 2.724 32.656 ( 0.642 -1.541 -0.537) 1.753 42.239 ( -10.002 -2.841 -0.309) 10.402 42.549 ( 2.316 13.511 10.378) 17.193 43.194 ( 9.710 13.031 -4.351) 16.824 45.450 ( -36.722 39.238 -63.549) 83.226 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 13.086 24.319 11.984) 30.104 2.008 ( 5.156 17.740 33.010) 37.828 3.032 ( -8.421 0.643 3.298) 9.067 3.163 ( -3.839 21.493 15.211) 26.610 3.613 ( 1.438 26.291 6.391) 27.095 3.881 ( -6.672 20.644 4.667) 22.192 4.610 ( 6.713 -0.064 18.049) 19.257 5.381 ( -5.917 -3.825 -9.005) 11.434 5.602 ( 5.803 0.060 0.818) 5.860 5.877 ( 19.631 -7.324 -3.755) 21.287 6.055 ( -5.049 6.420 -12.963) 15.321 6.675 ( -14.894 3.325 4.153) 15.815 7.123 ( -7.165 -6.059 -1.276) 9.470 7.349 ( -8.283 8.344 -8.286) 14.384 7.568 ( 10.288 -1.040 -6.699) 12.321 8.231 ( -4.019 2.670 3.094) 5.732 8.461 ( 11.274 7.598 11.085) 17.541 9.189 ( -0.981 4.059 -5.401) 6.826 10.366 ( 0.914 1.847 -0.793) 2.208 11.321 ( -0.006 13.297 -8.825) 15.959 12.347 ( -1.216 -31.048 -2.690) 31.188 20.370 ( -0.193 -4.060 -0.331) 4.078 20.526 ( 0.321 -1.430 -1.817) 2.334 20.575 ( -0.444 1.043 1.046) 1.542 20.607 ( 0.641 1.457 -0.729) 1.751 24.929 ( 0.036 -5.675 6.315) 8.490 25.507 ( 0.004 -0.844 0.498) 0.980 32.579 ( 0.202 -2.246 -0.886) 2.422 32.638 ( -0.181 -2.215 -0.480) 2.274 42.099 ( -1.808 -3.042 -0.473) 3.571 42.811 ( 1.618 18.858 12.773) 22.834 43.379 ( -2.956 9.497 0.303) 9.951 45.244 ( 2.719 41.759 -60.562) 73.614 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 22.170 11.551 26.603) 36.505 2.603 ( 30.484 22.718 10.764) 39.513 2.872 ( -1.644 -6.945 5.381) 8.938 3.473 ( -4.365 26.053 16.116) 30.944 3.888 ( -12.978 19.422 1.577) 23.412 3.925 ( 5.287 10.431 4.817) 12.647 4.744 ( -2.175 -0.557 7.744) 8.063 5.314 ( 1.348 5.773 -1.641) 6.151 5.701 ( 3.909 5.251 5.548) 8.582 5.848 ( -14.111 3.860 -16.700) 22.202 6.198 ( 23.339 -4.020 -3.585) 23.953 6.476 ( -13.406 5.136 1.609) 14.446 6.974 ( -4.576 2.742 -4.863) 7.218 7.287 ( -2.626 3.692 -3.415) 5.673 7.719 ( 11.513 -0.824 -6.508) 13.251 8.192 ( -4.365 2.350 2.252) 5.445 8.771 ( 8.952 7.210 9.892) 15.165 9.220 ( 1.888 6.273 -4.318) 7.846 10.340 ( -4.850 2.281 -2.120) 5.764 11.341 ( -5.227 5.067 -4.378) 8.495 12.061 ( 5.954 -33.285 -3.738) 34.019 20.344 ( 1.727 -3.416 -0.944) 3.942 20.501 ( -0.762 -0.862 -1.746) 2.091 20.560 ( -0.563 -1.036 0.450) 1.262 20.620 ( -1.937 2.209 0.147) 2.941 24.900 ( -1.422 -3.120 4.868) 5.954 25.498 ( -0.289 -0.718 0.117) 0.783 32.548 ( -0.885 -1.792 -0.940) 2.209 32.606 ( -0.526 -2.288 -0.684) 2.445 42.119 ( 7.332 -2.970 0.313) 7.917 43.051 ( -5.169 19.321 13.215) 23.972 43.363 ( -7.615 14.177 -1.462) 16.159 45.528 ( 21.765 20.947 -46.749) 55.659 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 12.919 7.049 27.221) 30.945 2.907 ( 10.305 -3.470 4.809) 11.889 3.395 ( 7.665 29.503 14.116) 33.592 3.744 ( -22.698 25.351 -3.417) 34.199 3.758 ( 21.726 4.676 9.950) 24.349 4.126 ( 10.514 -4.742 3.914) 12.180 4.626 ( -6.773 -5.162 -2.159) 8.785 5.246 ( -17.782 -2.982 -6.030) 19.012 5.734 ( 6.079 10.378 -6.145) 13.506 5.910 ( 4.654 13.492 5.056) 15.141 6.320 ( -11.504 8.826 1.376) 14.565 6.513 ( 19.077 -5.496 -5.284) 20.544 7.001 ( 2.468 8.822 -4.698) 10.295 7.314 ( 2.316 7.241 -0.521) 7.620 7.825 ( 5.069 -3.876 -2.054) 6.704 8.187 ( 0.695 3.604 -0.804) 3.757 8.990 ( 5.942 4.704 5.707) 9.487 9.317 ( 3.252 6.561 -2.799) 7.840 10.252 ( -6.141 2.328 -2.423) 7.000 11.203 ( -10.815 -0.865 -2.150) 11.061 11.840 ( 6.926 -31.525 -3.430) 32.459 20.341 ( 1.399 -1.790 -1.749) 2.868 20.471 ( -0.703 -0.804 -1.646) 1.962 20.545 ( -0.857 -0.334 0.172) 0.936 20.595 ( -2.071 0.061 1.136) 2.363 24.875 ( -1.462 -1.442 3.567) 4.116 25.487 ( -0.305 -0.446 -0.220) 0.584 32.509 ( -1.459 -1.183 -0.635) 1.983 32.574 ( -0.258 -1.874 -0.946) 2.115 42.273 ( 13.032 -2.924 1.527) 13.443 43.107 ( -11.411 17.230 0.982) 20.689 43.463 ( -3.412 17.502 9.466) 20.188 45.816 ( 21.280 5.369 -33.811) 40.309 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( -2.905 3.275 17.424) 17.965 3.109 ( 8.761 -0.031 6.174) 10.718 3.576 ( -13.051 25.613 10.057) 30.454 3.645 ( -8.147 17.765 1.738) 19.622 4.049 ( -5.019 -0.453 10.746) 11.869 4.461 ( 0.430 -9.034 -2.548) 9.397 4.589 ( 31.949 6.676 -2.059) 32.704 4.825 ( -12.603 -7.616 -7.997) 16.757 5.935 ( 6.335 5.444 -4.062) 9.288 6.084 ( -0.721 9.675 0.588) 9.720 6.246 ( -6.487 7.896 2.680) 10.564 6.769 ( 17.051 -0.682 -0.152) 17.065 7.096 ( 3.010 5.573 -2.939) 6.983 7.530 ( 8.690 15.053 -0.480) 17.388 7.799 ( -1.612 -3.911 0.119) 4.232 8.259 ( 4.414 1.242 -2.100) 5.043 9.137 ( 3.690 3.308 3.044) 5.817 9.387 ( 1.703 3.431 -5.514) 6.714 10.182 ( -3.493 2.649 0.189) 4.388 10.966 ( -12.268 -4.326 -2.097) 13.176 11.645 ( 5.094 -25.840 -2.698) 26.475 20.334 ( -0.436 0.466 -1.498) 1.629 20.439 ( -1.120 -1.383 -1.973) 2.657 20.525 ( -1.528 0.793 0.832) 1.912 20.584 ( 1.324 -2.330 0.986) 2.856 24.857 ( -1.337 -0.692 2.457) 2.882 25.479 ( -0.103 -0.137 -0.314) 0.358 32.472 ( -1.461 -0.606 -0.193) 1.593 32.554 ( 0.305 -1.268 -0.977) 1.630 42.483 ( 12.702 -2.093 0.947) 12.908 43.087 ( -8.685 16.765 -3.512) 19.205 43.609 ( -6.106 14.395 15.085) 21.727 46.008 ( 18.486 -3.296 -24.216) 30.644 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( -10.627 -1.023 8.169) 13.443 3.194 ( -14.189 15.961 5.834) 22.139 3.658 ( -13.164 17.889 -1.245) 22.245 3.749 ( 4.730 5.409 6.255) 9.526 4.013 ( 0.630 -0.179 5.580) 5.618 4.261 ( -9.478 -7.540 -3.814) 12.698 4.628 ( 1.119 3.142 7.069) 7.816 5.168 ( 21.428 -1.469 -2.178) 21.588 5.970 ( -0.374 1.152 -6.882) 6.987 6.083 ( -4.393 3.823 -2.017) 6.163 6.302 ( 1.511 2.780 7.896) 8.506 7.006 ( 11.068 -1.701 -5.401) 12.432 7.247 ( 2.588 15.156 6.460) 16.678 7.715 ( 3.111 -8.494 3.689) 9.769 7.841 ( 7.033 16.980 -6.887) 19.627 8.291 ( 2.165 -5.567 -2.361) 6.423 9.123 ( -8.320 -1.350 -1.486) 8.559 9.469 ( 8.838 3.889 -4.557) 10.677 10.198 ( 0.564 3.382 3.119) 4.636 10.715 ( -10.224 -4.362 -1.893) 11.275 11.490 ( 4.341 -19.050 -3.401) 19.833 20.325 ( -1.377 2.287 -0.958) 2.836 20.391 ( -1.735 -0.981 -0.853) 2.168 20.529 ( 1.137 -0.071 -0.099) 1.144 20.590 ( 1.699 -3.048 0.944) 3.615 24.840 ( -1.319 -0.447 1.570) 2.099 25.478 ( 0.136 0.084 -0.208) 0.262 32.448 ( -0.967 -0.082 0.131) 0.979 32.549 ( 0.816 -0.797 -0.763) 1.372 42.619 ( 3.535 2.388 -4.984) 6.561 43.129 ( -1.780 11.241 1.612) 11.494 43.680 ( -8.606 9.726 15.649) 20.336 46.145 ( 16.864 -7.028 -17.163) 25.067 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( -10.328 2.511 7.399) 12.950 3.058 ( -23.377 17.537 6.767) 29.997 3.451 ( -11.575 1.043 -9.480) 14.998 3.854 ( -0.061 -5.282 2.666) 5.917 4.095 ( 3.846 4.322 1.020) 5.875 4.176 ( -1.641 10.303 1.033) 10.484 4.797 ( 5.776 1.682 15.207) 16.354 5.248 ( -5.011 -3.246 -3.463) 6.902 5.900 ( -3.206 -3.195 -5.044) 6.777 6.102 ( 4.182 3.943 -0.556) 5.775 6.381 ( 2.743 -3.084 7.926) 8.936 7.055 ( 2.859 -2.547 -10.184) 10.880 7.367 ( -7.895 7.789 3.881) 11.750 7.827 ( 6.849 8.851 7.484) 13.464 8.042 ( 5.292 1.359 -5.661) 7.867 8.215 ( 3.043 -8.304 -2.579) 9.212 8.877 ( -15.195 -3.104 -3.855) 15.981 9.646 ( 8.014 2.033 -2.717) 8.703 10.284 ( 2.699 3.633 4.000) 6.040 10.573 ( -1.688 1.977 -1.608) 3.056 11.389 ( 5.705 -14.719 -4.772) 16.491 20.317 ( -1.876 2.916 -1.280) 3.696 20.375 ( 0.316 0.686 0.679) 1.015 20.549 ( 1.577 -0.615 -0.985) 1.958 20.589 ( 1.714 -3.983 1.254) 4.514 24.820 ( -1.334 -0.408 1.006) 1.720 25.482 ( 0.261 0.156 -0.082) 0.315 32.441 ( -0.130 0.354 0.302) 0.483 32.556 ( 1.140 -0.537 -0.571) 1.383 42.604 ( -5.317 7.568 -10.396) 13.915 43.220 ( -0.209 1.647 9.384) 9.529 43.681 ( -8.200 6.006 11.855) 15.616 46.277 ( 15.914 -6.553 -12.184) 21.087 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -23.475 3.595 7.535) 24.915 2.868 ( -16.594 10.589 6.262) 20.657 3.346 ( 5.289 -5.618 -5.889) 9.706 3.811 ( -0.841 2.940 -0.114) 3.061 4.114 ( -13.697 9.473 -0.339) 16.657 4.271 ( 0.207 7.012 2.953) 7.612 4.903 ( -2.477 -10.496 12.084) 16.196 5.071 ( -3.497 -0.752 -2.588) 4.415 5.810 ( -3.236 1.254 -1.132) 3.650 6.224 ( 4.437 1.994 2.554) 5.494 6.405 ( 1.305 -6.176 4.246) 7.607 6.952 ( -4.766 -4.166 -10.551) 12.304 7.293 ( -3.559 2.284 -3.259) 5.340 7.838 ( -9.358 -8.511 -5.338) 13.730 8.079 ( -0.752 3.496 11.758) 12.289 8.296 ( 3.105 2.713 -2.713) 4.936 8.582 ( -11.527 0.613 -1.508) 11.642 9.695 ( -0.917 -0.698 -2.681) 2.918 10.342 ( 0.657 -0.870 1.777) 2.085 10.766 ( 13.698 14.580 1.052) 20.032 11.349 ( 9.851 -13.975 -6.580) 18.320 20.319 ( -0.856 4.163 -1.264) 4.434 20.410 ( 1.624 1.610 1.060) 2.521 20.545 ( -0.016 -1.888 -0.276) 1.908 20.593 ( 2.770 -4.140 0.438) 5.000 24.799 ( -1.272 -0.409 0.857) 1.587 25.488 ( 0.270 0.117 -0.063) 0.301 32.453 ( 0.852 0.553 0.338) 1.071 32.570 ( 1.336 -0.306 -0.599) 1.496 42.511 ( -8.318 9.307 -11.128) 16.723 43.202 ( -6.554 -6.555 14.157) 16.922 43.658 ( -5.160 3.093 5.550) 8.185 46.431 ( 14.314 -2.879 -9.672) 17.514 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -27.324 2.241 11.696) 29.806 2.788 ( -8.375 9.853 2.996) 13.274 3.298 ( 1.727 -22.095 5.051) 22.730 3.819 ( -24.281 6.786 0.411) 25.215 3.943 ( -0.537 22.740 -4.881) 23.264 4.270 ( -9.919 -3.771 5.621) 12.008 4.685 ( -3.575 -12.367 0.285) 12.876 5.131 ( 6.819 -0.893 0.847) 6.929 5.779 ( -7.137 3.768 4.247) 9.120 6.279 ( -0.453 -4.857 5.985) 7.721 6.340 ( -1.958 -3.255 -4.691) 6.037 6.750 ( -7.542 -2.777 -7.785) 11.190 7.285 ( 1.703 2.038 -6.893) 7.388 7.532 ( -13.386 -8.076 -0.258) 15.635 7.961 ( -12.324 -1.222 -1.299) 12.452 8.307 ( 0.059 1.608 -2.317) 2.821 8.579 ( -3.306 7.334 11.553) 14.078 9.611 ( -5.443 -0.731 -3.472) 6.497 10.338 ( 0.676 -2.687 0.436) 2.805 11.136 ( 5.299 11.087 3.716) 12.838 11.466 ( 26.458 -5.754 -8.503) 28.380 20.356 ( 0.326 5.501 -1.537) 5.721 20.458 ( 1.575 0.424 1.005) 1.915 20.528 ( 0.504 -1.543 0.717) 1.775 20.594 ( 2.059 -4.329 -0.462) 4.816 24.780 ( -1.042 -0.380 1.213) 1.644 25.492 ( 0.245 0.040 -0.140) 0.285 32.482 ( 1.741 0.343 0.215) 1.787 32.589 ( 1.507 0.055 -0.816) 1.714 42.409 ( -8.105 9.799 -9.317) 15.764 43.038 ( -10.489 -10.976 14.164) 20.763 43.602 ( -5.320 -1.239 1.058) 5.564 46.592 ( 10.923 1.958 -10.826) 15.503 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -24.774 6.458 20.983) 33.102 2.729 ( -12.752 -2.769 6.430) 14.548 3.036 ( -10.455 -9.388 6.773) 15.598 3.542 ( -15.591 6.890 1.769) 17.137 3.835 ( -16.023 -21.016 -0.373) 26.430 4.173 ( -7.974 23.530 -5.382) 25.421 4.594 ( -5.873 -0.846 4.244) 7.295 5.271 ( 10.796 -0.492 -0.240) 10.809 5.621 ( -14.323 -0.201 6.027) 15.541 6.138 ( -3.461 -14.952 -3.159) 15.669 6.291 ( -0.906 -1.078 -4.612) 4.822 6.623 ( -6.956 8.105 -1.427) 10.775 7.197 ( -7.872 -0.209 -7.693) 11.009 7.339 ( -2.590 -4.200 -1.474) 5.150 7.842 ( -0.870 3.913 -1.076) 4.150 8.268 ( -4.299 -0.542 -3.005) 5.273 8.617 ( -7.601 4.110 15.424) 17.680 9.480 ( -6.828 0.269 -4.905) 8.411 10.321 ( 1.035 -3.519 -1.003) 3.803 11.205 ( 3.487 -5.708 0.406) 6.701 11.979 ( 28.815 11.401 -3.544) 31.191 20.407 ( 1.152 3.003 -2.235) 3.917 20.471 ( 0.372 -0.828 1.431) 1.694 20.553 ( 1.873 0.248 1.416) 2.361 20.576 ( 0.876 -2.759 -1.640) 3.327 24.772 ( -0.442 -0.322 2.299) 2.364 25.495 ( 0.258 -0.030 -0.216) 0.338 32.518 ( 2.347 -0.229 -0.088) 2.359 32.613 ( 1.616 0.352 -1.042) 1.955 42.345 ( -6.246 10.497 -6.145) 13.673 42.809 ( -10.963 -11.623 11.922) 19.935 43.456 ( -7.408 -5.565 -2.801) 9.679 46.695 ( 4.343 5.816 -17.872) 19.290 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -9.467 9.932 27.732) 30.941 2.347 ( -27.300 17.732 14.040) 35.452 3.004 ( -5.660 -2.705 1.664) 6.490 3.495 ( -3.853 13.318 2.933) 14.171 3.795 ( 3.224 7.263 10.733) 13.354 4.206 ( -19.194 37.433 7.988) 42.819 4.379 ( -2.371 -8.370 13.272) 15.869 5.253 ( 2.258 -0.560 -3.684) 4.357 5.522 ( 7.532 -3.939 -7.718) 11.481 5.723 ( -10.016 -2.006 -9.082) 13.669 5.968 ( 6.447 7.508 -3.329) 10.441 6.967 ( -3.332 4.177 1.994) 5.703 7.184 ( 0.578 0.093 -6.808) 6.833 7.412 ( 6.113 15.645 -6.047) 17.852 7.711 ( -14.466 -7.275 2.757) 16.425 8.207 ( 0.693 5.059 4.767) 6.986 8.451 ( -8.470 -0.513 5.485) 10.104 9.279 ( -4.202 5.062 -6.232) 9.062 10.242 ( 3.214 2.458 -2.180) 4.597 11.201 ( 7.887 1.020 -1.063) 8.024 12.480 ( 0.057 -24.084 -4.956) 24.589 20.403 ( 1.750 -0.036 -0.783) 1.917 20.476 ( 0.433 -0.896 -0.901) 1.342 20.490 ( 2.035 -1.498 -0.933) 2.694 20.642 ( -1.524 -0.132 0.341) 1.567 24.866 ( 2.395 -2.298 5.154) 6.131 25.497 ( 0.452 -0.459 0.024) 0.645 32.537 ( 1.955 -1.785 -0.861) 2.784 32.625 ( 0.791 -1.386 -0.856) 1.810 42.428 ( -14.718 -2.323 0.680) 14.916 42.696 ( 3.174 13.463 12.690) 18.771 43.149 ( 8.037 15.012 -7.637) 18.662 45.953 ( -27.131 12.290 -42.366) 51.788 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -26.781 18.126 6.821) 33.050 2.327 ( -2.742 12.683 34.661) 37.010 3.052 ( 7.105 -0.736 1.467) 7.292 3.393 ( -11.399 7.111 6.026) 14.725 4.011 ( -3.965 7.741 9.154) 12.627 4.200 ( -5.756 25.274 9.738) 27.690 4.747 ( 6.574 28.459 13.340) 32.111 5.330 ( 10.095 -3.777 -3.682) 11.390 5.467 ( -4.440 0.738 -12.620) 13.398 5.615 ( 5.018 -1.927 -0.844) 5.441 6.092 ( 2.214 7.377 -7.845) 10.994 6.885 ( -9.519 -5.224 5.608) 12.221 7.130 ( -0.281 -3.474 -6.343) 7.238 7.439 ( -5.770 -1.034 -5.997) 8.386 7.583 ( -5.430 15.604 -8.595) 18.624 8.344 ( 1.227 5.244 8.594) 10.143 8.404 ( 3.167 2.001 7.026) 7.962 9.242 ( -2.695 5.530 -5.529) 8.272 10.326 ( 4.202 2.002 -0.892) 4.739 11.335 ( 5.548 4.941 -5.224) 9.082 12.097 ( -6.818 -32.850 -3.252) 33.708 20.350 ( -2.278 -3.711 -0.622) 4.398 20.485 ( 1.571 -1.471 -2.040) 2.966 20.570 ( 4.366 2.757 0.736) 5.216 20.608 ( -1.605 -0.935 -0.126) 1.862 24.899 ( 1.462 -3.117 4.845) 5.943 25.498 ( 0.292 -0.716 0.128) 0.784 32.542 ( 1.154 -1.715 -1.082) 2.333 32.613 ( 0.253 -2.190 -0.536) 2.269 42.178 ( -10.502 -2.644 -0.388) 10.837 43.019 ( 5.451 19.941 16.244) 26.291 43.422 ( 7.842 13.292 -2.443) 15.625 45.456 ( -19.675 20.959 -48.109) 56.043 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 12.763 8.576 3.671) 15.809 2.652 ( 4.306 15.948 28.075) 32.575 2.961 ( -8.851 -2.120 7.064) 11.521 3.633 ( 15.099 10.633 8.472) 20.318 3.993 ( -9.612 6.604 9.677) 15.154 4.400 ( -8.229 23.280 2.586) 24.826 4.955 ( -12.295 10.719 4.709) 16.978 5.342 ( 1.812 5.890 -1.684) 6.389 5.661 ( 19.844 0.387 1.336) 19.893 5.757 ( 10.242 9.097 -4.249) 14.342 6.069 ( -9.196 8.026 -10.380) 16.022 6.664 ( -8.931 -5.786 3.543) 11.216 7.061 ( -3.227 0.411 -3.302) 4.635 7.351 ( -2.159 3.648 -11.144) 11.923 7.602 ( -0.508 11.184 -5.053) 12.283 8.320 ( -6.334 2.319 4.395) 8.051 8.686 ( 12.936 2.791 9.994) 16.584 9.249 ( -0.140 6.696 -4.222) 7.916 10.382 ( 0.815 0.736 -1.316) 1.714 11.387 ( 0.380 2.049 -12.281) 12.456 11.688 ( -1.751 -32.792 4.541) 33.151 20.290 ( -0.084 -3.764 0.035) 3.765 20.481 ( 0.767 -0.958 -2.041) 2.382 20.564 ( -1.636 -1.641 0.230) 2.328 20.654 ( 1.398 2.626 -0.278) 2.988 24.906 ( 0.037 -2.548 4.021) 4.760 25.494 ( -0.001 -0.761 -0.011) 0.761 32.532 ( 0.189 -1.346 -1.189) 1.805 32.587 ( -0.282 -2.492 -0.373) 2.535 42.050 ( -1.715 -1.826 0.117) 2.508 43.378 ( 0.421 21.563 18.897) 28.675 43.571 ( -1.989 9.757 0.421) 9.967 45.278 ( 2.850 20.633 -47.096) 51.496 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 29.701 -0.920 -0.066) 29.715 2.913 ( 2.679 7.448 20.219) 21.713 3.157 ( 20.459 9.892 12.482) 25.928 3.886 ( -3.991 -4.199 1.843) 6.080 3.992 ( 4.070 8.053 15.130) 17.616 4.386 ( -18.691 24.910 -1.810) 31.195 4.786 ( -13.895 2.090 0.317) 14.055 5.450 ( -1.458 2.853 5.546) 6.405 5.768 ( -10.644 5.271 -15.484) 19.515 6.012 ( 8.478 14.021 9.524) 18.952 6.093 ( 16.846 1.830 -8.879) 19.130 6.546 ( -7.099 2.683 0.215) 7.592 7.016 ( -0.096 1.249 -4.547) 4.716 7.369 ( 2.010 12.168 -4.805) 13.236 7.725 ( 4.549 7.858 -2.504) 9.419 8.254 ( -5.033 1.450 2.555) 5.828 8.921 ( 8.642 0.118 5.656) 10.330 9.319 ( 2.343 5.506 -2.182) 6.369 10.353 ( -3.899 1.434 -2.041) 4.628 11.244 ( 0.309 -14.824 -14.646) 20.841 11.474 ( -0.823 -18.125 9.122) 20.308 20.276 ( 2.072 -2.862 -0.251) 3.542 20.473 ( -0.190 0.158 -2.077) 2.092 20.525 ( -0.585 -2.512 0.144) 2.583 20.666 ( -2.297 1.794 0.170) 2.920 24.897 ( -0.768 -1.554 3.085) 3.538 25.485 ( -0.161 -0.554 -0.226) 0.619 32.512 ( -0.599 -0.816 -0.956) 1.392 32.556 ( -0.345 -2.195 -0.432) 2.264 42.086 ( 7.106 -1.409 1.472) 7.393 43.476 ( -11.956 14.362 0.207) 18.688 43.746 ( -0.797 18.370 17.445) 25.346 45.382 ( 15.259 9.405 -38.088) 42.095 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 18.145 1.480 2.082) 18.324 3.205 ( 2.417 7.091 20.102) 21.453 3.542 ( 16.068 -22.137 -0.138) 27.354 3.969 ( 17.875 17.636 5.007) 25.605 4.163 ( 0.827 1.713 13.194) 13.330 4.332 ( -11.995 23.362 -2.629) 26.393 4.565 ( -13.992 3.546 0.207) 14.435 5.145 ( -27.550 2.415 -7.649) 28.694 5.844 ( 9.195 4.393 -0.375) 10.198 6.196 ( -0.179 9.137 -0.876) 9.181 6.345 ( 4.574 -1.860 -6.827) 8.426 6.529 ( 7.505 8.514 5.644) 12.675 7.035 ( 5.461 -0.149 -3.859) 6.689 7.568 ( 4.673 12.376 0.228) 13.230 7.840 ( -0.351 10.970 -1.360) 11.059 8.228 ( -0.418 1.181 0.307) 1.290 9.063 ( 7.106 -1.464 2.789) 7.773 9.372 ( 1.005 1.968 -4.172) 4.721 10.286 ( -4.905 2.586 -0.044) 5.545 11.010 ( -2.027 -17.279 -9.375) 19.762 11.346 ( -0.183 -13.988 5.091) 14.887 20.294 ( 2.784 -1.608 -0.834) 3.321 20.447 ( -1.968 -0.049 -1.476) 2.460 20.509 ( 1.514 -2.189 -0.332) 2.682 20.626 ( -3.901 1.036 0.958) 4.148 24.883 ( -1.095 -0.883 2.142) 2.563 25.477 ( -0.085 -0.230 -0.303) 0.390 32.488 ( -1.099 -0.410 -0.350) 1.224 32.533 ( 0.126 -1.474 -0.657) 1.619 42.257 ( 12.549 -1.084 2.774) 12.898 43.406 ( -11.486 16.274 -5.934) 20.784 43.955 ( -6.230 15.434 20.364) 26.301 45.534 ( 17.815 -1.099 -28.152) 33.333 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( -3.138 -11.653 2.035) 12.239 3.360 ( 7.327 11.251 8.068) 15.664 3.649 ( 12.445 -8.025 3.981) 15.333 4.125 ( -11.800 -0.403 6.431) 13.445 4.263 ( -7.863 22.459 -2.117) 23.890 4.335 ( -13.205 -3.958 5.740) 14.932 4.684 ( 4.990 7.761 -1.877) 9.416 4.807 ( 7.783 11.818 -1.458) 14.226 5.949 ( 1.172 0.317 -5.099) 5.241 6.194 ( -6.833 2.051 -0.670) 7.165 6.312 ( 2.850 -3.263 0.644) 4.381 6.826 ( 9.798 7.239 0.640) 12.199 7.236 ( 15.549 8.848 2.903) 18.124 7.656 ( -1.438 -0.383 1.150) 1.880 7.957 ( -0.956 17.161 -2.300) 17.341 8.222 ( -1.060 -3.053 -1.217) 3.453 9.132 ( 2.368 -6.701 -0.004) 7.107 9.383 ( 2.780 4.033 -5.405) 7.294 10.257 ( -2.169 2.611 3.022) 4.545 10.764 ( -4.425 -12.278 -6.050) 14.385 11.248 ( 1.560 -12.310 1.492) 12.498 20.325 ( 2.426 -0.241 -0.970) 2.623 20.400 ( -2.094 -0.671 -1.158) 2.485 20.518 ( 1.415 -1.187 -0.366) 1.882 20.579 ( -2.733 0.014 1.394) 3.068 24.865 ( -1.247 -0.590 1.313) 1.904 25.475 ( 0.110 0.035 -0.215) 0.244 32.466 ( -1.114 -0.059 0.088) 1.119 32.525 ( 0.662 -0.838 -0.631) 1.240 42.482 ( 12.063 0.185 2.230) 12.268 43.353 ( -9.224 15.272 -6.488) 18.984 44.033 ( -10.835 9.673 18.377) 23.424 45.679 ( 18.500 -6.136 -19.132) 27.312 ======================= Grid point 205 (106/294) ======================= q-point: ( 0.67 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( -0.108 -12.217 1.841) 12.356 3.495 ( -10.258 3.528 5.624) 12.219 3.790 ( -1.430 7.700 -0.225) 7.835 3.952 ( -24.643 -0.725 5.367) 25.232 3.993 ( 3.813 1.203 -6.026) 7.232 4.344 ( -3.090 15.696 -0.586) 16.008 4.791 ( 3.913 3.455 11.269) 12.420 5.198 ( 12.128 3.400 -1.197) 12.652 5.895 ( -1.631 -0.271 -6.640) 6.843 6.083 ( -2.778 -1.322 -2.161) 3.759 6.336 ( 2.183 -6.656 6.315) 9.431 6.980 ( 2.396 6.619 -4.232) 8.213 7.573 ( -7.531 -0.383 0.017) 7.541 7.710 ( 21.158 13.328 7.986) 26.250 8.072 ( 0.063 -10.960 0.130) 10.961 8.096 ( -5.150 11.578 -4.552) 13.465 9.004 ( -6.829 -6.090 -4.400) 10.153 9.509 ( 8.227 2.821 -2.002) 8.925 10.290 ( 1.210 1.135 3.656) 4.015 10.595 ( -1.864 -3.807 -4.169) 5.945 11.173 ( 2.220 -9.954 -0.703) 10.223 20.360 ( 1.185 1.620 -0.760) 2.146 20.361 ( -0.637 -0.581 -0.642) 1.075 20.526 ( 0.729 -0.384 -0.390) 0.911 20.550 ( -0.698 -1.930 1.301) 2.430 24.843 ( -1.308 -0.509 0.760) 1.596 25.479 ( 0.244 0.138 -0.103) 0.299 32.452 ( -0.660 0.251 0.204) 0.735 32.530 ( 1.005 -0.493 -0.436) 1.202 42.650 ( 4.326 4.273 -2.338) 6.515 43.327 ( -5.203 7.812 0.009) 9.386 43.970 ( -12.794 2.770 12.213) 17.903 45.859 ( 18.813 -4.679 -11.594) 22.589 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 6.208 -9.245 3.293) 11.612 3.188 ( -23.285 -4.079 3.118) 23.844 3.591 ( -24.758 8.869 7.318) 27.298 3.803 ( 0.334 2.312 -2.483) 3.409 4.182 ( 10.332 7.129 -6.225) 14.011 4.439 ( -3.871 11.584 0.656) 12.231 4.872 ( 0.963 -9.438 9.404) 13.358 5.197 ( -9.170 -0.721 -2.685) 9.582 5.873 ( -1.352 6.306 -1.541) 6.631 6.112 ( 7.925 -1.944 -1.559) 8.307 6.317 ( 1.438 -9.686 6.043) 11.507 6.993 ( -4.958 5.454 -6.025) 9.520 7.410 ( -9.347 -0.197 -2.057) 9.572 7.832 ( -5.205 -14.018 -1.713) 15.051 8.183 ( 6.759 5.371 -5.252) 10.105 8.200 ( 7.040 12.365 11.149) 18.076 8.785 ( -11.245 -0.418 -2.188) 11.464 9.632 ( 5.385 -0.814 -2.304) 5.914 10.314 ( 0.767 -2.880 0.401) 3.007 10.655 ( 10.645 5.562 -0.804) 12.037 11.126 ( 2.290 -6.208 -1.403) 6.764 20.354 ( -0.202 1.929 -0.548) 2.015 20.401 ( 2.007 1.336 -0.307) 2.431 20.521 ( 0.082 -3.506 1.058) 3.663 20.536 ( 0.569 -0.296 -0.340) 0.727 24.820 ( -1.251 -0.491 0.597) 1.471 25.484 ( 0.258 0.101 -0.088) 0.291 32.451 ( 0.087 0.272 0.130) 0.314 32.544 ( 1.196 -0.162 -0.367) 1.262 42.679 ( -5.003 9.275 -7.845) 13.137 43.307 ( -4.408 -3.319 10.832) 12.156 43.806 ( -9.937 -3.264 3.003) 10.882 46.102 ( 17.576 0.953 -7.175) 19.008 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( -23.741 -0.474 9.922) 25.735 2.879 ( 5.862 -10.025 2.003) 11.785 3.335 ( -18.380 3.817 10.781) 21.648 3.847 ( 3.242 0.976 -2.611) 4.276 4.276 ( -13.136 -10.460 -0.024) 16.792 4.398 ( 4.338 7.338 -3.467) 9.203 4.784 ( -9.708 5.791 0.588) 11.319 5.018 ( -3.047 -3.968 -4.117) 6.479 5.935 ( -2.105 7.909 3.654) 8.963 6.206 ( 5.918 -5.746 -3.085) 8.807 6.255 ( -0.633 -8.846 5.013) 10.187 6.881 ( -9.030 4.731 -3.921) 10.923 7.299 ( -3.226 4.194 -5.414) 7.570 7.618 ( -6.498 -9.376 0.501) 11.419 8.154 ( -11.286 -1.115 -2.801) 11.682 8.324 ( -0.836 2.826 -2.941) 4.164 8.758 ( -1.243 9.211 11.621) 14.881 9.643 ( -0.781 -1.147 -3.558) 3.820 10.285 ( 0.761 -4.233 -1.600) 4.589 10.964 ( 19.429 -8.457 -3.329) 21.449 11.174 ( 6.601 13.424 2.499) 15.166 20.376 ( 0.586 1.345 -0.749) 1.647 20.449 ( 2.198 1.671 -0.654) 2.837 20.495 ( 0.356 -3.224 2.010) 3.816 20.542 ( 0.682 0.034 -0.869) 1.105 24.799 ( -1.032 -0.456 0.868) 1.424 25.488 ( 0.216 0.012 -0.176) 0.279 32.461 ( 0.923 -0.108 -0.036) 0.930 32.563 ( 1.320 0.292 -0.519) 1.448 42.613 ( -8.572 11.199 -8.661) 16.550 43.183 ( -10.303 -11.196 15.822) 21.951 43.636 ( -4.173 -6.586 -3.897) 8.716 46.374 ( 13.929 6.500 -6.937) 16.864 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( -19.819 3.216 16.485) 25.978 2.846 ( -1.680 -12.444 9.538) 15.769 3.171 ( -11.401 5.396 8.274) 15.085 3.707 ( -17.112 -26.772 0.679) 31.781 3.900 ( -4.064 -4.398 -2.217) 6.386 4.561 ( 5.480 7.352 -1.641) 9.315 4.689 ( -17.927 25.002 -4.155) 31.045 5.026 ( 12.069 -6.305 -4.840) 14.451 5.912 ( -11.735 3.219 5.310) 13.277 6.089 ( -5.244 -9.577 -0.309) 10.923 6.226 ( 0.603 -5.301 -3.599) 6.436 6.809 ( -4.844 8.468 -1.222) 9.832 7.267 ( -3.916 1.868 -7.156) 8.369 7.448 ( -9.062 0.866 3.960) 9.928 7.896 ( -8.363 -1.604 -5.472) 10.122 8.323 ( -2.251 2.585 -1.785) 3.864 8.847 ( -5.420 3.976 14.007) 15.536 9.566 ( -4.975 0.646 -4.750) 6.909 10.248 ( 1.392 -4.396 -2.896) 5.445 11.020 ( 7.705 -12.244 -2.516) 14.684 11.661 ( 23.727 16.872 2.667) 29.236 20.372 ( 0.678 -3.297 -0.561) 3.412 20.489 ( 1.879 -3.875 0.656) 4.356 20.501 ( 0.370 4.408 -1.030) 4.542 20.564 ( 1.211 2.323 0.023) 2.620 24.787 ( -0.567 -0.393 1.615) 1.756 25.490 ( 0.205 -0.065 -0.289) 0.360 32.478 ( 1.653 -0.683 -0.239) 1.805 32.587 ( 1.379 0.558 -0.822) 1.699 42.546 ( -7.745 11.830 -5.769) 15.272 42.941 ( -11.600 -12.920 12.311) 21.285 43.474 ( -4.696 -8.162 -5.020) 10.671 46.593 ( 7.517 9.112 -11.208) 16.284 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 3.752 6.383 9.220) 11.825 2.771 ( -6.494 3.119 19.067) 20.382 3.411 ( -21.091 19.890 10.040) 30.680 3.659 ( 2.408 11.231 -0.380) 11.492 3.720 ( 7.343 -0.728 7.005) 10.175 4.327 ( 2.822 -2.047 7.603) 8.364 4.705 ( -8.523 -3.647 4.549) 10.326 5.226 ( 3.434 -2.327 -6.071) 7.353 5.599 ( -15.314 16.666 1.206) 22.665 5.804 ( -7.130 1.279 -9.489) 11.938 6.000 ( -0.804 8.942 -0.109) 8.979 7.002 ( 2.957 1.649 -4.061) 5.287 7.175 ( -7.176 1.892 -10.909) 13.194 7.449 ( 5.064 14.159 0.800) 15.059 7.937 ( -14.243 -2.836 5.431) 15.504 8.275 ( 0.135 5.957 2.873) 6.615 8.605 ( -8.198 -3.397 5.145) 10.257 9.378 ( -5.523 5.326 -7.038) 10.411 10.215 ( 2.317 3.328 -1.334) 4.268 11.014 ( 11.499 -3.662 -0.948) 12.105 12.194 ( 3.564 -22.784 -3.451) 23.318 20.357 ( 3.921 1.592 -0.096) 4.232 20.430 ( 2.269 -1.814 -0.845) 3.025 20.479 ( -2.729 -1.807 -1.657) 3.669 20.665 ( -1.206 -0.556 0.399) 1.387 24.841 ( 1.478 -0.944 3.461) 3.880 25.486 ( 0.314 -0.249 -0.265) 0.481 32.486 ( 1.809 -1.184 -0.552) 2.232 32.597 ( 0.504 -1.068 -1.033) 1.569 42.672 ( -15.539 -2.599 1.950) 15.875 42.814 ( 4.803 12.642 8.189) 15.810 43.143 ( 6.195 14.506 -2.870) 16.032 46.222 ( -19.384 1.807 -28.138) 34.217 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 3.429 13.493 16.604) 21.668 2.770 ( -31.291 4.785 14.521) 34.826 3.006 ( -5.565 1.994 9.110) 10.860 3.706 ( -11.654 7.245 1.383) 13.792 4.057 ( 9.509 13.627 6.881) 17.985 4.477 ( -1.521 4.211 9.407) 10.418 4.725 ( 16.854 6.414 3.083) 18.295 5.257 ( 5.103 -0.515 -7.170) 8.816 5.572 ( -11.019 12.140 -1.618) 16.475 5.663 ( -5.157 9.063 -2.324) 10.683 6.093 ( 1.964 10.717 -4.353) 11.733 6.948 ( -3.223 -8.130 -1.089) 8.813 7.081 ( -3.141 2.562 -6.776) 7.896 7.614 ( -11.053 5.202 -3.672) 12.756 7.735 ( -0.714 12.402 -2.556) 12.683 8.332 ( 2.060 -0.373 6.814) 7.128 8.528 ( -5.246 3.361 5.999) 8.649 9.319 ( -3.581 5.418 -6.343) 9.078 10.285 ( 2.691 2.650 -0.180) 3.782 11.176 ( 11.648 -2.205 -4.446) 12.661 11.882 ( -5.776 -30.632 -2.176) 31.248 20.365 ( -3.591 -2.689 -1.215) 4.648 20.428 ( 2.492 -0.861 -2.057) 3.344 20.510 ( 5.358 1.708 0.897) 5.694 20.630 ( -1.904 -1.383 0.372) 2.383 24.874 ( 1.466 -1.439 3.531) 4.085 25.487 ( 0.303 -0.434 -0.196) 0.564 32.500 ( 1.475 -0.974 -0.855) 1.964 32.585 ( 0.297 -1.824 -0.710) 1.980 42.376 ( -15.509 -2.913 0.209) 15.782 43.155 ( 10.152 19.409 10.494) 24.288 43.421 ( 7.635 15.954 1.741) 17.772 45.727 ( -21.878 4.795 -34.331) 40.991 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -25.689 -2.179 4.312) 26.139 2.874 ( 3.933 12.758 21.055) 24.931 3.155 ( -5.474 4.274 11.833) 13.721 3.596 ( -1.426 5.946 4.253) 7.448 4.240 ( -4.959 8.603 8.073) 12.798 4.615 ( 3.872 12.964 3.516) 13.980 5.120 ( 18.483 -2.024 -2.818) 18.806 5.327 ( -1.471 3.579 5.783) 6.958 5.396 ( -3.192 6.211 -13.036) 14.789 5.833 ( 3.560 16.771 2.648) 17.348 6.216 ( -1.148 14.917 -4.625) 15.660 6.773 ( -8.595 -5.786 2.795) 10.731 7.012 ( 0.302 -2.902 -6.944) 7.532 7.450 ( -9.275 9.179 -6.182) 14.440 7.801 ( -6.626 14.618 -6.540) 17.331 8.470 ( 1.924 -0.612 4.213) 4.672 8.524 ( 4.538 1.055 10.745) 11.712 9.300 ( -1.403 5.710 -5.220) 7.863 10.344 ( 2.504 0.379 -0.457) 2.573 11.227 ( 2.952 -12.823 -14.101) 19.287 11.523 ( -2.477 -19.692 8.223) 21.483 20.277 ( -2.372 -3.210 -0.145) 3.993 20.443 ( 1.524 -0.826 -1.643) 2.388 20.581 ( -1.763 -1.488 -0.358) 2.335 20.624 ( 4.306 2.017 0.329) 4.766 24.896 ( 0.817 -1.536 3.072) 3.531 25.485 ( 0.150 -0.544 -0.208) 0.601 32.507 ( 0.818 -0.639 -1.143) 1.544 32.565 ( -0.038 -2.225 -0.297) 2.245 42.134 ( -9.824 -1.787 0.168) 9.987 43.580 ( 10.551 17.219 6.405) 21.186 43.681 ( 1.525 14.898 12.952) 19.799 45.308 ( -12.452 10.276 -38.629) 41.867 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 11.933 -0.991 -0.743) 11.998 3.026 ( -6.495 -5.542 9.663) 12.894 3.191 ( 3.969 12.864 20.679) 24.675 3.774 ( 7.826 4.728 -0.489) 9.156 4.229 ( -7.771 5.436 9.595) 13.491 4.726 ( -5.677 5.674 0.183) 8.028 5.122 ( -16.576 10.105 -1.813) 19.498 5.331 ( 14.577 -3.452 0.784) 15.001 5.706 ( 18.927 6.488 1.647) 20.076 5.997 ( -4.985 11.568 -12.602) 17.818 6.219 ( -6.680 9.899 5.906) 13.322 6.661 ( -5.371 5.031 -3.410) 8.111 6.971 ( 0.960 -3.535 -4.068) 5.474 7.432 ( -0.899 13.021 -6.587) 14.620 7.837 ( -2.602 16.461 -1.567) 16.739 8.398 ( -7.987 0.533 4.424) 9.146 8.745 ( 12.717 -5.611 6.845) 15.494 9.326 ( 0.724 4.862 -4.099) 6.400 10.369 ( 1.177 -0.313 -1.638) 2.042 10.948 ( -1.190 -23.152 -9.218) 24.948 11.463 ( -0.650 -6.413 6.253) 8.981 20.230 ( 0.068 -2.566 0.370) 2.593 20.451 ( 1.177 -0.416 -1.489) 1.943 20.533 ( -2.078 -1.231 -0.388) 2.446 20.688 ( 1.254 1.038 -0.173) 1.637 24.903 ( 0.028 -1.249 2.332) 2.645 25.480 ( -0.013 -0.458 -0.262) 0.528 32.504 ( 0.156 -0.233 -1.272) 1.303 32.540 ( -0.316 -2.095 0.097) 2.121 42.030 ( -1.062 -0.963 1.232) 1.890 43.726 ( -4.141 7.691 -0.669) 8.761 44.018 ( 2.672 19.178 22.344) 29.567 45.135 ( 2.232 10.302 -36.944) 38.418 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 31.063 -0.149 -3.410) 31.250 3.015 ( 11.386 -13.296 7.303) 18.967 3.421 ( -2.066 6.262 14.914) 16.307 3.902 ( 6.178 6.922 -3.989) 10.099 4.245 ( -0.807 3.222 10.319) 10.840 4.588 ( -9.652 -1.402 0.014) 9.753 4.953 ( -15.735 12.469 -0.560) 20.085 5.590 ( -0.379 6.268 5.591) 8.408 5.713 ( -8.218 0.427 -7.407) 11.071 6.064 ( 12.104 5.223 -6.290) 14.607 6.386 ( 0.872 14.176 6.706) 15.706 6.579 ( -2.174 2.485 -6.294) 7.108 6.930 ( 1.483 -1.412 -3.115) 3.727 7.577 ( 5.013 9.699 -3.586) 11.492 8.003 ( -0.031 19.029 1.151) 19.063 8.299 ( -5.546 0.318 2.792) 6.217 8.888 ( 9.843 -9.274 4.039) 14.114 9.359 ( 0.619 3.652 -4.543) 5.861 10.366 ( -1.448 1.551 -0.684) 2.230 10.706 ( 2.866 -21.834 -5.709) 22.749 11.381 ( -5.463 -5.083 4.640) 8.787 20.230 ( 2.146 -1.751 0.122) 2.773 20.462 ( 1.447 -0.639 -0.981) 1.861 20.483 ( -2.538 -0.312 -0.647) 2.637 20.687 ( -1.841 0.241 0.094) 1.859 24.897 ( -0.572 -0.911 1.484) 1.833 25.475 ( -0.035 -0.215 -0.249) 0.330 32.496 ( -0.350 0.119 -0.994) 1.061 32.517 ( -0.268 -1.539 0.224) 1.578 42.090 ( 7.508 -0.609 2.861) 8.057 43.684 ( -8.414 10.277 -4.235) 13.940 44.290 ( -2.920 13.504 20.040) 24.341 45.156 ( 10.244 4.170 -27.136) 29.304 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 13.889 -9.959 -6.336) 18.227 3.197 ( 20.628 -6.293 2.735) 21.739 3.458 ( -0.292 1.568 11.306) 11.418 4.109 ( 13.153 -2.613 -5.614) 14.538 4.305 ( -2.701 -0.099 6.370) 6.920 4.507 ( -1.214 6.157 8.024) 10.187 4.839 ( -9.393 12.882 -2.205) 16.095 5.262 ( -28.058 14.718 -5.153) 32.100 5.882 ( 5.902 -2.432 3.963) 7.514 6.124 ( 5.990 -6.120 -8.294) 11.921 6.371 ( -10.679 3.500 -0.846) 11.270 6.786 ( 12.901 9.605 6.356) 17.294 7.050 ( 11.294 8.212 -3.449) 14.384 7.683 ( 1.082 3.641 -1.299) 4.014 8.126 ( -3.356 7.192 1.957) 8.174 8.275 ( -2.884 7.384 0.324) 7.934 8.943 ( 7.977 -12.885 1.302) 15.210 9.381 ( 0.230 5.268 -4.326) 6.820 10.341 ( -3.525 1.086 2.614) 4.521 10.558 ( 4.855 -15.998 -5.539) 17.612 11.251 ( -6.469 -3.818 3.256) 8.187 20.263 ( 3.167 -0.998 -0.262) 3.331 20.429 ( -2.274 -1.049 -0.342) 2.528 20.482 ( 1.172 0.576 -0.822) 1.543 20.642 ( -3.322 -0.171 0.477) 3.360 24.882 ( -0.937 -0.711 0.696) 1.367 25.473 ( 0.077 0.028 -0.136) 0.159 32.484 ( -0.918 0.170 -0.150) 0.946 32.506 ( 0.327 -0.711 -0.178) 0.802 42.281 ( 12.776 -0.307 4.164) 13.441 43.616 ( -9.212 12.409 -7.843) 17.331 44.368 ( -8.462 4.299 13.405) 16.425 45.274 ( 13.592 0.907 -13.527) 19.198 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -1.771 -10.383 -4.282) 11.370 3.491 ( 9.278 -11.947 3.255) 15.473 3.608 ( 15.472 6.177 1.289) 16.709 4.132 ( -3.023 -6.131 -5.284) 8.640 4.204 ( -9.183 3.476 3.295) 10.357 4.580 ( -6.309 4.740 8.260) 11.424 4.971 ( 7.295 7.469 -3.580) 11.038 5.027 ( -11.177 15.879 0.100) 19.418 5.834 ( 0.525 -7.263 -1.276) 7.393 6.169 ( -1.115 -3.132 -4.492) 5.588 6.218 ( -0.901 -2.911 1.724) 3.501 7.057 ( 2.374 11.713 5.220) 13.041 7.395 ( 19.428 4.756 -3.416) 20.291 7.703 ( 0.266 4.405 -1.494) 4.659 8.047 ( -6.861 -9.615 5.419) 12.996 8.307 ( -5.108 13.862 -1.033) 14.809 8.927 ( 4.084 -10.287 -1.992) 11.246 9.438 ( 2.847 4.068 -1.513) 5.191 10.309 ( -1.421 -1.422 2.410) 3.138 10.501 ( 3.480 -5.410 -3.395) 7.274 11.141 ( -4.133 -2.343 1.438) 4.964 20.309 ( 3.143 -0.291 -0.219) 3.164 20.387 ( -1.612 -0.096 -0.318) 1.646 20.501 ( 0.915 0.038 -0.396) 0.997 20.586 ( -3.075 -0.432 0.525) 3.150 24.860 ( -1.103 -0.639 0.159) 1.285 25.476 ( 0.187 0.134 -0.021) 0.231 32.469 ( -0.971 0.185 0.111) 0.995 32.511 ( 0.719 -0.137 -0.138) 0.745 42.526 ( 12.564 0.860 3.851) 13.169 43.529 ( -9.388 9.909 -7.637) 15.641 44.233 ( -12.078 -5.910 6.399) 14.891 45.500 ( 15.843 3.445 -3.476) 16.582 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 1.901 -5.642 -0.685) 5.993 3.391 ( -5.980 -14.635 2.637) 16.028 3.868 ( 10.675 -5.525 -5.941) 13.407 3.904 ( -12.731 2.658 3.540) 13.478 4.199 ( -9.760 16.214 1.896) 19.020 4.538 ( -0.755 4.623 -3.130) 5.634 4.868 ( -9.111 -9.702 1.586) 13.403 5.195 ( 6.367 1.192 -0.146) 6.479 5.880 ( 9.096 -2.060 2.557) 9.670 6.055 ( -5.858 5.477 -4.095) 9.005 6.217 ( 2.545 -8.182 1.713) 8.738 7.164 ( -5.166 11.568 1.723) 12.786 7.511 ( -2.489 -2.539 -2.023) 4.091 7.737 ( -1.813 -16.715 -1.160) 16.853 8.000 ( 12.002 8.204 0.243) 14.540 8.364 ( -3.651 10.242 2.297) 11.114 8.877 ( -0.943 -2.318 -0.809) 2.630 9.526 ( 4.690 0.921 -0.309) 4.789 10.282 ( -0.510 -2.571 -0.179) 2.627 10.542 ( 5.113 0.139 0.378) 5.128 11.098 ( -0.453 2.123 -0.083) 2.172 20.356 ( 1.893 0.780 0.305) 2.070 20.376 ( 0.443 0.201 -0.358) 0.604 20.500 ( -0.190 -1.709 0.083) 1.721 20.548 ( -1.336 0.734 -0.030) 1.524 24.836 ( -1.088 -0.617 -0.000) 1.251 25.480 ( 0.204 0.100 0.000) 0.227 32.457 ( -0.606 -0.002 0.001) 0.606 32.525 ( 0.920 0.327 -0.001) 0.976 42.724 ( 5.818 4.139 0.330) 7.147 43.423 ( -7.190 2.427 -1.073) 7.664 43.939 ( -13.030 -13.393 0.830) 18.704 45.828 ( 16.743 8.407 -0.088) 18.735 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 5.310 -5.612 2.896) 8.251 3.097 ( -13.830 -11.293 6.122) 18.876 3.753 ( -11.816 1.028 9.452) 15.166 3.844 ( -6.443 0.686 -1.935) 6.762 4.201 ( 0.428 -1.916 -7.013) 7.283 4.452 ( -11.761 -10.552 -3.216) 16.125 4.700 ( 7.773 -3.568 -5.494) 10.165 5.222 ( -5.807 5.975 -0.118) 8.333 6.033 ( 7.956 -2.494 3.474) 9.032 6.052 ( -0.988 5.282 0.431) 5.391 6.182 ( 1.441 -6.014 0.198) 6.187 7.115 ( -12.418 7.052 2.122) 14.437 7.380 ( -5.262 -1.666 -2.989) 6.277 7.590 ( -0.450 -6.650 0.610) 6.693 8.241 ( 5.168 5.743 -4.570) 8.976 8.340 ( -4.591 -0.557 -2.839) 5.427 8.897 ( 0.410 4.334 7.791) 8.924 9.593 ( 2.657 0.446 -1.337) 3.008 10.238 ( -0.872 -3.079 -1.279) 3.447 10.650 ( 8.992 -4.911 0.791) 10.276 11.204 ( 5.574 12.320 0.512) 13.532 20.372 ( -0.342 -0.999 0.347) 1.111 20.399 ( 2.074 -0.755 -0.386) 2.241 20.492 ( 1.045 0.552 0.609) 1.329 20.546 ( -0.501 1.656 -0.532) 1.810 24.813 ( -0.898 -0.575 0.243) 1.093 25.484 ( 0.152 0.011 -0.084) 0.174 32.450 ( 0.020 -0.383 -0.152) 0.412 32.547 ( 1.014 0.733 -0.098) 1.255 42.787 ( -3.656 8.193 -5.022) 10.281 43.320 ( -7.467 -7.193 12.132) 15.959 43.590 ( -7.414 -15.093 -7.210) 18.296 46.197 ( 14.746 12.025 -1.212) 19.066 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 1.781 -7.728 6.065) 9.984 2.829 ( -10.781 -11.853 13.212) 20.768 3.564 ( -18.236 7.813 8.092) 21.426 3.701 ( -12.084 -23.455 3.584) 26.627 3.893 ( -4.930 -4.310 -6.888) 9.504 4.429 ( 9.337 0.698 -5.885) 11.058 4.731 ( 5.730 -9.511 -8.894) 14.227 5.205 ( -9.551 21.139 -0.601) 23.204 6.069 ( -1.278 -2.833 3.400) 4.606 6.089 ( -1.885 -1.629 3.726) 4.482 6.152 ( 0.816 -2.788 -3.181) 4.308 6.972 ( -9.091 2.250 2.697) 9.746 7.307 ( -2.468 1.835 -6.207) 6.927 7.582 ( -0.438 5.191 4.387) 6.811 8.073 ( -16.059 -0.191 -7.269) 17.628 8.364 ( 0.832 3.888 -2.229) 4.558 8.984 ( 0.101 -0.568 10.083) 10.099 9.603 ( -1.522 2.022 -3.291) 4.152 10.187 ( -0.447 -2.898 -2.035) 3.569 10.737 ( 9.834 -9.716 -0.348) 13.829 11.524 ( 13.977 15.644 1.922) 21.066 20.336 ( -0.735 -3.686 0.397) 3.780 20.416 ( 2.136 -2.555 -0.644) 3.391 20.543 ( -0.126 4.379 -0.814) 4.456 20.563 ( 1.737 2.129 0.633) 2.819 24.799 ( -0.521 -0.489 0.858) 1.116 25.485 ( 0.107 -0.056 -0.215) 0.246 32.449 ( 0.728 -0.762 -0.241) 1.081 32.571 ( 0.997 0.836 -0.436) 1.372 42.750 ( -6.444 9.787 -5.718) 13.038 43.077 ( -13.486 -14.616 11.165) 22.807 43.402 ( 0.118 -9.155 -4.858) 10.365 46.509 ( 9.402 12.149 -5.363) 16.271 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 7.360 9.063 0.214) 11.677 2.903 ( 4.911 -3.515 17.358) 18.379 3.440 ( 12.525 7.984 -1.607) 14.940 3.837 ( 1.991 13.276 6.838) 15.066 4.000 ( -14.495 11.498 9.622) 20.853 4.307 ( 0.054 -4.054 7.517) 8.541 4.620 ( 8.834 -3.630 -3.726) 10.252 5.246 ( -13.710 -7.712 3.072) 16.028 5.927 ( -10.001 2.094 -1.799) 10.375 5.943 ( -7.485 5.586 -3.237) 9.885 6.087 ( 2.283 8.011 -0.242) 8.333 6.912 ( 5.112 3.025 -6.242) 8.616 7.339 ( -10.454 4.317 -11.027) 15.796 7.541 ( -2.647 9.992 2.442) 10.621 8.155 ( -8.322 2.076 7.489) 11.386 8.343 ( -0.474 5.468 -0.011) 5.488 8.701 ( -5.719 -5.595 3.268) 8.642 9.499 ( -7.093 5.469 -7.217) 11.502 10.208 ( 2.557 3.318 0.121) 4.191 10.754 ( 11.479 -7.110 -1.585) 13.595 11.915 ( 3.138 -17.874 -3.009) 18.395 20.309 ( 3.181 1.297 -0.793) 3.525 20.378 ( 2.021 -0.632 0.577) 2.195 20.510 ( -3.671 -1.449 -1.901) 4.381 20.673 ( -0.506 -1.313 0.478) 1.486 24.828 ( 1.136 -0.485 2.256) 2.572 25.480 ( 0.063 -0.026 -0.278) 0.286 32.451 ( 1.219 -0.487 -0.065) 1.314 32.579 ( -0.025 -0.736 -0.977) 1.224 42.809 ( 3.742 6.960 -5.894) 9.858 42.930 ( -7.996 2.754 5.331) 9.997 43.201 ( 3.412 10.429 9.554) 14.549 46.383 ( -15.166 -2.488 -19.094) 24.510 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 10.880 13.009 4.655) 17.587 3.062 ( 2.401 0.936 20.704) 20.864 3.405 ( -19.940 -9.256 4.789) 22.500 3.935 ( -8.217 16.811 -0.308) 18.714 4.150 ( 6.552 21.215 7.223) 23.349 4.448 ( 9.850 6.537 6.650) 13.564 4.640 ( -1.039 -4.134 3.195) 5.327 5.065 ( 3.497 -6.398 -7.968) 10.800 5.788 ( -8.018 4.741 -5.193) 10.664 5.858 ( -6.299 1.301 5.967) 8.774 6.200 ( 1.063 13.189 -3.373) 13.655 6.946 ( -3.489 1.929 -3.298) 5.174 7.183 ( -6.941 7.481 -10.560) 14.685 7.685 ( 6.392 7.244 2.042) 9.874 7.950 ( -14.516 0.452 2.469) 14.732 8.384 ( -4.292 3.617 -0.210) 5.617 8.642 ( -1.157 0.966 6.830) 6.995 9.407 ( -5.232 5.039 -7.423) 10.387 10.282 ( 1.701 3.074 1.183) 3.708 10.878 ( 13.521 -8.476 -4.678) 16.630 11.683 ( -3.583 -23.903 -1.499) 24.217 20.366 ( 2.732 -0.126 -2.108) 3.453 20.404 ( -3.782 -1.062 -1.099) 4.079 20.445 ( 3.877 0.417 1.104) 4.053 20.644 ( -1.270 -1.934 0.537) 2.376 24.856 ( 1.324 -0.685 2.423) 2.845 25.479 ( 0.105 -0.122 -0.291) 0.332 32.468 ( 1.283 -0.285 -0.318) 1.352 32.563 ( -0.034 -1.372 -0.831) 1.604 42.618 ( -15.664 -3.224 0.219) 15.993 43.164 ( 11.890 19.069 -3.600) 22.759 43.490 ( 7.656 13.605 15.608) 22.075 45.933 ( -20.107 -3.681 -23.990) 31.518 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -34.656 -10.562 8.026) 37.108 2.932 ( 10.413 9.825 7.700) 16.256 3.341 ( -0.566 7.900 19.239) 20.806 3.821 ( -15.165 4.456 0.012) 15.806 4.437 ( -2.744 11.338 6.580) 13.393 4.629 ( 6.105 7.577 3.202) 10.243 4.787 ( 15.223 3.413 -5.188) 16.441 5.134 ( 13.994 -0.858 -7.096) 15.714 5.671 ( -12.181 9.400 -3.916) 15.877 5.854 ( 3.709 -1.539 4.018) 5.680 6.365 ( 2.760 14.463 -1.437) 14.794 6.859 ( -6.536 5.178 -3.925) 9.217 7.066 ( -8.871 0.570 -0.272) 8.893 7.708 ( -11.168 9.037 -4.331) 15.005 7.936 ( 4.345 8.155 -2.370) 9.540 8.336 ( 0.601 -1.256 1.138) 1.798 8.668 ( -3.837 1.532 8.345) 9.311 9.353 ( -2.523 4.634 -6.221) 8.157 10.326 ( 0.421 0.805 1.121) 1.443 10.928 ( 7.781 -16.785 -8.751) 20.466 11.423 ( -1.436 -14.709 4.144) 15.349 20.302 ( -3.799 -2.373 -0.626) 4.523 20.401 ( 1.870 -0.353 -1.157) 2.227 20.545 ( 4.610 0.876 -0.136) 4.694 20.607 ( -0.853 -0.898 0.619) 1.384 24.881 ( 1.115 -0.851 2.132) 2.552 25.478 ( 0.078 -0.221 -0.282) 0.366 32.483 ( 0.999 -0.056 -0.725) 1.236 32.544 ( -0.030 -1.709 -0.388) 1.753 42.328 ( -14.745 -2.247 0.423) 14.921 43.534 ( 12.289 16.772 -6.753) 21.862 43.856 ( 7.363 14.873 22.425) 27.898 45.449 ( -17.780 -0.125 -27.313) 32.591 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -22.834 -2.584 4.710) 23.458 3.141 ( -4.988 -2.811 4.828) 7.489 3.351 ( -2.956 3.386 13.845) 14.556 3.775 ( 1.167 9.466 4.382) 10.496 4.412 ( -6.041 -0.081 3.318) 6.892 4.774 ( 0.510 -0.734 -3.525) 3.636 5.007 ( 14.797 2.781 -3.024) 15.357 5.450 ( 13.698 10.191 -6.171) 18.154 5.520 ( -9.516 5.630 5.815) 12.493 5.993 ( 8.667 5.734 -4.608) 11.368 6.457 ( -5.978 6.595 3.610) 9.605 6.780 ( -4.416 2.729 -8.518) 9.975 6.975 ( -5.648 5.491 4.475) 9.059 7.616 ( -8.816 12.152 -5.450) 15.972 8.021 ( -1.193 12.195 -3.953) 12.875 8.419 ( 8.596 -6.200 1.828) 10.755 8.626 ( -4.501 -1.358 8.356) 9.588 9.348 ( -0.366 4.863 -4.509) 6.642 10.331 ( 0.616 -1.114 -0.255) 1.298 10.739 ( -1.196 -19.193 -5.194) 19.919 11.400 ( 3.909 -5.921 4.730) 8.527 20.229 ( -2.200 -1.814 0.383) 2.877 20.419 ( 1.338 -0.267 -1.046) 1.719 20.549 ( -1.102 -1.118 -0.550) 1.663 20.654 ( 3.273 0.935 0.169) 3.409 24.897 ( 0.604 -0.887 1.493) 1.839 25.475 ( 0.012 -0.218 -0.239) 0.324 32.491 ( 0.516 0.067 -1.224) 1.331 32.526 ( -0.094 -1.523 0.327) 1.561 42.111 ( -8.802 -1.291 1.124) 8.967 43.777 ( 4.686 8.219 -3.893) 10.231 44.226 ( 5.508 14.334 19.120) 24.523 45.112 ( -8.155 5.871 -25.072) 27.011 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 9.062 1.063 0.155) 9.125 2.887 ( -6.462 -12.737 3.520) 14.710 3.546 ( 4.105 5.839 11.136) 13.227 3.900 ( 0.227 7.965 -1.828) 8.175 4.320 ( -3.088 -2.292 1.269) 4.050 4.667 ( -4.448 -4.394 -4.325) 7.602 5.240 ( 0.320 1.200 2.664) 2.939 5.387 ( 3.097 5.494 0.797) 6.357 5.873 ( 17.915 6.515 3.080) 19.310 5.994 ( -10.744 3.080 -11.814) 16.263 6.533 ( 2.581 12.487 7.992) 15.049 6.653 ( -8.929 3.075 -7.690) 12.178 6.944 ( -3.818 0.084 1.721) 4.189 7.607 ( -1.419 10.356 -5.685) 11.899 8.153 ( 2.710 12.053 -0.428) 12.361 8.403 ( -4.101 -2.511 2.128) 5.259 8.649 ( 6.830 -8.429 5.405) 12.121 9.382 ( 0.099 6.209 -3.080) 6.932 10.336 ( 2.542 -2.289 -1.337) 3.673 10.529 ( -2.840 -13.175 -0.811) 13.502 11.408 ( -0.301 -4.539 4.001) 6.058 20.198 ( -0.002 -1.246 0.498) 1.342 20.430 ( 0.956 -0.571 -0.769) 1.353 20.520 ( -1.590 0.461 -0.412) 1.705 20.694 ( 0.813 -0.106 -0.089) 0.825 24.899 ( 0.009 -0.833 0.678) 1.074 25.472 ( -0.013 -0.084 -0.138) 0.162 32.490 ( 0.236 0.023 -1.442) 1.462 32.515 ( -0.327 -0.813 0.926) 1.275 42.034 ( -0.116 -0.761 2.508) 2.624 43.830 ( -2.480 4.506 -2.317) 5.641 44.450 ( 2.265 6.674 -1.432) 7.192 45.054 ( 0.242 10.103 -3.954) 10.852 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 22.611 -9.756 -4.278) 24.995 2.888 ( 14.665 -0.653 2.215) 14.845 3.596 ( -6.344 -2.450 8.118) 10.590 3.911 ( 1.790 -1.619 -8.909) 9.230 4.311 ( 2.270 -0.446 0.417) 2.351 4.605 ( -0.195 4.851 1.692) 5.142 5.123 ( -12.311 5.326 0.127) 13.414 5.594 ( 4.037 -7.537 -0.332) 8.557 5.738 ( -2.477 3.522 -2.083) 4.783 6.130 ( -7.026 3.585 0.793) 7.928 6.502 ( 3.905 1.077 -10.274) 11.043 6.689 ( -2.968 7.009 6.001) 9.692 7.008 ( 7.554 8.796 2.785) 11.924 7.684 ( 2.361 6.097 -3.662) 7.494 8.212 ( -3.049 -2.625 2.063) 4.522 8.402 ( -0.146 9.216 0.600) 9.237 8.685 ( 7.065 -12.494 3.012) 14.666 9.428 ( -0.752 6.093 -1.531) 6.328 10.334 ( 3.327 -9.289 -2.458) 10.169 10.411 ( -2.186 0.481 2.142) 3.098 11.342 ( -5.080 -2.910 3.279) 6.710 20.208 ( 2.054 -0.759 0.167) 2.196 20.430 ( 0.164 -1.070 -0.245) 1.110 20.503 ( -1.509 1.932 -0.320) 2.472 20.681 ( -1.662 -0.697 -0.020) 1.802 24.889 ( -0.483 -0.770 -0.106) 0.915 25.472 ( 0.036 0.087 0.008) 0.094 32.488 ( 0.205 0.239 -1.253) 1.292 32.507 ( -0.609 -0.264 1.173) 1.348 42.116 ( 8.268 -0.598 4.160) 9.274 43.795 ( -5.017 6.215 -5.669) 9.794 44.432 ( 0.190 -4.387 -13.947) 14.622 45.209 ( 1.454 10.610 13.772) 17.445 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 16.080 -8.346 -7.331) 19.544 3.207 ( 12.447 -1.053 2.002) 12.651 3.496 ( 1.365 -6.835 3.217) 7.677 3.895 ( 10.582 -6.097 -9.407) 15.416 4.345 ( -0.698 1.523 -1.208) 2.065 4.722 ( 1.529 6.404 5.641) 8.670 4.977 ( -8.578 5.022 -3.583) 10.567 5.384 ( -11.416 -2.946 0.068) 11.790 5.865 ( -14.625 -3.290 0.725) 15.008 5.936 ( 13.526 -3.846 -0.533) 14.073 6.393 ( -11.004 1.482 -2.931) 11.484 6.977 ( 19.305 5.830 2.673) 20.342 7.222 ( 5.964 5.341 -0.622) 8.030 7.731 ( -0.793 3.842 -3.336) 5.150 8.109 ( -5.590 -6.638 6.283) 10.714 8.477 ( -1.604 8.583 -1.067) 8.797 8.701 ( 8.108 -11.526 1.139) 14.138 9.458 ( -0.353 3.476 0.560) 3.538 10.290 ( 1.218 -3.200 -1.921) 3.926 10.447 ( 0.728 4.151 2.732) 5.023 11.231 ( -6.609 -1.090 1.824) 6.942 20.252 ( 3.407 0.056 0.113) 3.410 20.410 ( -1.339 -0.565 0.204) 1.468 20.505 ( -0.504 1.908 -0.243) 1.988 20.631 ( -2.917 -1.116 -0.065) 3.124 24.868 ( -0.773 -0.738 -0.649) 1.251 25.475 ( 0.101 0.170 0.130) 0.237 32.485 ( -0.503 0.256 -0.683) 0.886 32.506 ( -0.033 0.293 0.934) 0.979 42.324 ( 13.460 -0.390 5.374) 14.499 43.716 ( -7.680 6.691 -9.649) 14.030 44.254 ( -3.206 -13.680 -10.511) 17.547 45.434 ( 4.256 10.875 15.752) 19.609 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 1.696 2.924 -4.251) 5.432 3.232 ( 3.756 -17.289 1.978) 17.803 3.527 ( 12.693 -9.549 -8.967) 18.240 4.080 ( 5.344 2.363 2.133) 6.221 4.307 ( 0.762 6.441 -5.762) 8.675 4.726 ( -10.132 0.663 5.697) 11.642 4.855 ( -6.156 -9.304 -7.146) 13.249 5.204 ( -4.891 -1.013 1.234) 5.145 5.724 ( 2.650 -4.753 5.533) 7.761 6.067 ( 6.020 -4.429 0.060) 7.474 6.247 ( -7.961 6.490 -3.134) 10.739 7.286 ( 2.770 -0.901 0.237) 2.923 7.335 ( 15.729 -0.918 0.162) 15.757 7.680 ( -5.917 -0.909 -3.595) 6.983 7.996 ( -3.269 -2.638 6.019) 7.340 8.508 ( -3.098 6.268 -2.621) 7.467 8.754 ( 8.697 -7.796 1.245) 11.746 9.510 ( 1.626 3.601 2.591) 4.725 10.281 ( -0.419 0.470 -1.421) 1.555 10.528 ( 0.088 6.311 4.186) 7.574 11.151 ( -2.805 2.668 -0.608) 3.919 20.322 ( 3.638 1.525 0.601) 3.990 20.385 ( -1.249 -0.149 0.363) 1.309 20.502 ( -1.455 -0.143 -0.153) 1.469 20.578 ( -1.707 -0.127 -0.407) 1.759 24.843 ( -0.833 -0.729 -0.810) 1.372 25.479 ( 0.109 0.134 0.164) 0.238 32.470 ( -0.967 -0.065 -0.186) 0.987 32.520 ( 0.498 0.889 0.536) 1.152 42.587 ( 13.547 0.483 5.308) 14.558 43.561 ( -9.098 2.450 -11.623) 14.962 43.958 ( -8.536 -19.003 -3.241) 21.082 45.739 ( 9.596 13.284 11.758) 20.169 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -1.214 2.860 1.725) 3.554 3.066 ( -1.251 -19.861 0.337) 19.903 3.644 ( 14.223 -8.694 -7.058) 18.102 4.001 ( -10.290 2.194 1.262) 10.596 4.431 ( -16.035 3.044 -1.523) 16.392 4.499 ( -12.097 -16.954 -5.265) 21.483 4.530 ( 4.739 -0.333 -2.880) 5.555 5.218 ( 5.639 -3.987 2.283) 7.274 5.844 ( 10.158 -2.431 4.076) 11.212 6.086 ( 2.269 -3.039 0.548) 3.832 6.204 ( -5.123 6.745 -0.884) 8.516 7.292 ( 4.926 -6.427 -4.574) 9.300 7.434 ( -13.572 -1.405 8.276) 15.959 7.565 ( 2.653 1.781 0.175) 3.200 8.079 ( 11.348 2.123 -3.087) 11.951 8.443 ( -6.773 1.858 -4.921) 8.576 8.839 ( 7.967 -6.975 2.470) 10.873 9.599 ( 1.630 4.888 3.301) 6.120 10.254 ( -2.859 0.214 0.023) 2.867 10.578 ( -1.698 1.768 3.495) 4.268 11.231 ( 4.892 12.055 -1.635) 13.112 20.367 ( -0.396 -0.699 0.380) 0.888 20.391 ( -0.017 1.170 0.631) 1.329 20.470 ( 1.195 -0.950 0.360) 1.569 20.572 ( -0.442 2.094 -0.803) 2.286 24.820 ( -0.677 -0.699 -0.568) 1.127 25.482 ( 0.057 0.047 0.104) 0.128 32.452 ( -0.786 -0.326 -0.134) 0.862 32.543 ( 0.641 1.170 0.339) 1.377 42.807 ( 7.092 2.693 2.527) 7.996 43.370 ( -4.041 -5.095 -10.929) 12.718 43.583 ( -13.411 -18.858 3.946) 23.475 46.115 ( 12.052 15.294 6.240) 20.448 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -0.550 -4.972 6.248) 8.004 2.831 ( -4.242 -21.498 2.792) 22.090 3.656 ( -2.524 -14.099 0.259) 14.325 3.864 ( -5.259 1.027 -0.200) 5.362 4.050 ( -20.177 -1.546 -0.410) 20.240 4.252 ( 2.433 -5.224 -7.345) 9.336 4.586 ( 0.866 -2.996 -3.116) 4.408 5.327 ( 7.952 2.793 -1.500) 8.561 5.999 ( 7.149 0.018 0.548) 7.170 6.117 ( 0.692 -0.482 -0.257) 0.881 6.157 ( -4.530 0.689 4.336) 6.309 7.159 ( -10.619 -10.409 7.967) 16.869 7.320 ( -0.997 5.278 -6.212) 8.212 7.647 ( 0.794 5.979 3.068) 6.767 8.272 ( -3.406 0.859 -7.245) 8.052 8.307 ( 3.481 4.892 -3.059) 6.739 8.898 ( 7.101 -9.980 3.110) 12.637 9.670 ( -1.237 5.726 1.406) 6.024 10.195 ( -3.527 -1.103 0.936) 3.813 10.568 ( 1.243 -3.538 1.214) 3.942 11.489 ( 8.726 15.377 -0.833) 17.700 20.334 ( -2.267 -2.699 0.980) 3.659 20.369 ( 0.458 -1.629 -0.999) 1.965 20.544 ( 3.536 2.604 1.400) 4.609 20.584 ( -0.535 3.208 -1.090) 3.430 24.803 ( -0.342 -0.612 0.018) 0.701 25.483 ( -0.005 -0.010 -0.011) 0.015 32.438 ( -0.257 -0.491 -0.118) 0.567 32.566 ( 0.585 1.114 0.011) 1.259 42.866 ( -2.733 3.262 -4.604) 6.270 43.175 ( -6.755 -16.352 -4.538) 18.265 43.302 ( -3.236 -6.349 8.670) 11.223 46.465 ( 9.364 14.104 0.292) 16.932 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 6.452 11.011 -3.101) 13.134 2.775 ( 11.253 1.691 7.950) 13.881 3.362 ( 8.999 7.220 0.050) 11.537 3.885 ( 5.754 0.886 2.655) 6.399 4.122 ( 5.834 -4.453 1.859) 7.571 4.372 ( -2.530 7.577 8.429) 11.613 4.558 ( -1.248 5.760 8.478) 10.326 5.484 ( -16.400 -6.961 4.200) 18.304 5.945 ( 6.982 2.187 -7.823) 10.711 6.089 ( -3.028 4.081 0.336) 5.092 6.110 ( -4.589 -1.529 2.557) 5.471 6.862 ( 1.431 4.287 -4.068) 6.081 7.402 ( -0.373 0.592 -3.944) 4.006 7.690 ( -4.188 0.803 -0.883) 4.354 8.327 ( 2.376 8.508 1.367) 8.939 8.413 ( -8.168 -0.712 1.261) 8.295 8.716 ( 0.144 -2.130 -0.446) 2.182 9.633 ( -6.677 2.329 -5.722) 9.096 10.174 ( 3.481 0.680 1.210) 3.748 10.544 ( 4.207 -3.179 -0.605) 5.308 11.730 ( -0.754 -11.947 -4.395) 12.752 20.268 ( 2.205 0.996 -1.417) 2.804 20.365 ( 0.494 1.134 1.418) 1.882 20.550 ( -3.375 -1.103 -1.543) 3.872 20.662 ( -0.080 -2.210 0.604) 2.293 24.815 ( 1.103 -0.384 1.367) 1.798 25.480 ( -0.152 0.122 -0.124) 0.231 32.436 ( 0.407 0.170 0.367) 0.574 32.574 ( -0.591 -0.475 -0.762) 1.074 42.729 ( 8.523 9.051 -11.869) 17.188 43.070 ( -2.565 -1.493 8.678) 9.172 43.320 ( -0.318 6.493 13.474) 14.961 46.503 ( -12.884 -3.775 -13.461) 19.011 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 10.823 8.874 -0.330) 14.000 3.027 ( 8.791 2.415 12.369) 15.366 3.561 ( -0.257 9.442 2.395) 9.744 4.067 ( 10.641 -6.909 -0.558) 12.700 4.191 ( 5.611 14.121 4.443) 15.831 4.506 ( 2.690 9.588 7.721) 12.601 4.642 ( -0.288 4.289 4.679) 6.354 5.112 ( -19.168 -5.526 -1.180) 19.983 5.890 ( -5.476 -6.684 -0.170) 8.642 5.994 ( -5.885 5.004 0.183) 7.727 6.206 ( 5.203 4.303 -1.010) 6.827 6.995 ( 5.399 12.304 -4.797) 14.267 7.317 ( -7.247 2.932 -8.305) 11.406 7.665 ( 0.998 -0.669 3.004) 3.235 8.195 ( -14.165 -2.020 3.495) 14.729 8.479 ( 2.422 6.801 -1.688) 7.414 8.685 ( -2.355 0.841 2.816) 3.766 9.512 ( -6.389 2.876 -6.822) 9.779 10.268 ( 4.665 1.100 2.010) 5.197 10.584 ( 6.993 -6.671 -3.167) 10.170 11.528 ( -3.064 -17.189 -2.690) 17.666 20.316 ( 2.623 1.306 -1.706) 3.390 20.404 ( 2.043 0.623 1.208) 2.454 20.458 ( -4.299 -1.168 -1.137) 4.598 20.638 ( -0.379 -2.617 0.645) 2.722 24.839 ( 1.297 -0.434 1.548) 2.066 25.478 ( -0.127 0.092 -0.198) 0.252 32.450 ( 0.752 0.214 0.231) 0.815 32.552 ( -0.560 -0.972 -0.817) 1.388 42.796 ( -6.871 0.146 -4.551) 8.243 43.128 ( 7.687 12.596 -2.476) 14.962 43.564 ( 7.978 10.335 19.158) 23.184 46.099 ( -18.544 -6.842 -17.012) 26.078 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 11.815 -2.017 2.209) 12.188 3.140 ( -9.687 1.435 12.018) 15.503 3.559 ( -7.730 7.452 11.096) 15.440 4.086 ( -5.885 1.621 0.557) 6.130 4.526 ( 5.170 4.113 0.033) 6.606 4.584 ( 0.241 -6.691 0.236) 6.700 4.720 ( 6.917 16.189 1.676) 17.685 4.926 ( 2.328 9.754 -7.538) 12.545 5.754 ( -0.692 -6.805 0.579) 6.865 5.942 ( -7.991 5.613 2.215) 10.013 6.345 ( 7.061 3.120 0.010) 7.720 7.088 ( -11.013 10.660 -4.496) 15.973 7.221 ( -2.582 8.571 -2.331) 9.250 7.747 ( 8.966 -1.878 0.207) 9.163 7.977 ( -10.216 -0.983 2.091) 10.474 8.465 ( -8.063 7.759 -6.505) 12.943 8.719 ( 1.529 -1.844 7.656) 8.022 9.419 ( -4.158 3.638 -5.737) 7.964 10.342 ( 0.974 0.651 3.048) 3.266 10.599 ( 7.571 -12.230 -5.294) 15.328 11.325 ( -1.181 -12.413 0.585) 12.483 20.339 ( -2.177 -0.758 -1.291) 2.642 20.368 ( 0.212 -0.806 -0.371) 0.912 20.486 ( 3.451 1.702 0.541) 3.886 20.609 ( -0.499 -1.903 0.406) 2.009 24.863 ( 1.250 -0.550 1.312) 1.894 25.476 ( -0.104 0.031 -0.208) 0.235 32.466 ( 0.827 0.225 -0.148) 0.869 32.530 ( -0.326 -1.132 -0.507) 1.282 42.564 ( -14.962 -2.420 0.153) 15.157 43.438 ( 12.971 15.565 -8.965) 22.156 43.938 ( 10.822 10.366 21.422) 26.143 45.619 ( -19.360 -4.861 -17.881) 26.799 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( -25.641 -3.960 8.470) 27.292 3.132 ( 4.700 4.606 3.264) 7.346 3.521 ( -10.274 -3.975 7.259) 13.193 3.949 ( -8.515 6.754 5.376) 12.125 4.435 ( -1.546 -7.612 -2.169) 8.064 4.636 ( 7.363 -5.240 -12.741) 15.621 4.973 ( 1.124 14.913 1.268) 15.009 5.202 ( 16.938 8.967 -0.258) 19.167 5.798 ( 1.269 3.627 -3.992) 5.541 5.851 ( -1.883 2.828 4.068) 5.300 6.489 ( 6.954 0.472 3.557) 7.826 6.892 ( -12.304 1.758 -8.665) 15.151 7.249 ( -10.446 10.871 7.443) 16.813 7.839 ( -6.055 7.545 -2.199) 9.921 7.927 ( 11.209 -4.924 -2.642) 12.525 8.383 ( -4.658 7.130 -5.201) 9.979 8.715 ( -2.860 -4.997 7.219) 9.234 9.393 ( -1.469 5.418 -2.999) 6.365 10.343 ( -2.136 -0.140 2.013) 2.939 10.538 ( 3.295 -13.530 -2.705) 14.186 11.285 ( 4.808 -5.549 2.445) 7.739 20.267 ( -3.492 -1.056 0.349) 3.665 20.390 ( 1.539 0.314 -0.754) 1.742 20.534 ( 1.080 -1.107 -0.234) 1.564 20.616 ( 2.318 0.730 0.282) 2.446 24.882 ( 0.953 -0.673 0.718) 1.370 25.474 ( -0.082 0.007 -0.135) 0.158 32.477 ( 0.547 0.080 -0.846) 1.010 32.517 ( 0.013 -0.801 0.305) 0.858 42.297 ( -13.773 -1.866 1.195) 13.950 43.716 ( 9.233 10.245 -8.012) 15.950 44.286 ( 8.451 5.213 12.606) 16.047 45.246 ( -12.758 3.347 -9.978) 16.539 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -22.774 5.941 5.516) 24.174 2.985 ( -16.438 -11.485 -0.539) 20.060 3.506 ( 8.007 0.713 3.558) 8.791 3.996 ( -1.500 6.644 4.571) 8.202 4.304 ( -2.122 -6.553 -6.359) 9.374 4.605 ( 2.642 -5.145 -8.491) 10.274 5.112 ( 6.117 2.756 0.898) 6.769 5.591 ( 14.782 2.094 4.718) 15.657 5.630 ( -8.419 7.534 -5.588) 12.605 6.042 ( 3.758 5.207 -4.850) 8.048 6.631 ( 2.360 5.386 5.569) 8.099 6.704 ( -1.378 -3.124 -2.016) 3.965 7.120 ( -13.615 0.437 3.645) 14.101 7.761 ( -7.631 5.654 -3.661) 10.179 8.088 ( 9.190 2.361 -1.952) 9.688 8.407 ( 1.361 4.751 -2.563) 5.568 8.623 ( -4.220 -6.934 5.943) 10.060 9.437 ( 0.090 6.741 -0.236) 6.746 10.306 ( -2.241 -1.042 0.902) 2.630 10.456 ( 0.610 -7.375 0.431) 7.412 11.347 ( 4.710 -3.445 3.096) 6.606 20.212 ( -2.301 -0.603 0.669) 2.471 20.410 ( 0.834 0.369 -0.688) 1.143 20.531 ( 0.201 -0.512 0.025) 0.550 20.668 ( 2.239 0.544 -0.018) 2.304 24.889 ( 0.487 -0.753 -0.087) 0.901 25.472 ( -0.048 0.068 0.008) 0.083 32.478 ( 0.315 0.034 -1.225) 1.265 32.517 ( 0.070 -0.248 0.993) 1.026 42.104 ( -7.741 -1.293 2.295) 8.177 43.848 ( 2.458 3.380 -4.314) 6.006 44.378 ( 2.328 -1.883 -15.176) 15.469 45.222 ( -1.938 11.430 15.251) 19.158 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -4.335 0.004 1.181) 4.493 2.726 ( 1.518 -2.647 -1.575) 3.434 3.583 ( 2.441 -9.602 -0.531) 9.922 3.947 ( -8.335 -0.779 -4.984) 9.743 4.254 ( 3.344 0.540 -3.654) 4.983 4.609 ( 4.291 2.641 -3.167) 5.951 5.235 ( 5.127 -3.692 0.788) 6.367 5.445 ( -4.235 -0.471 0.276) 4.270 5.843 ( -4.999 -3.516 -7.802) 9.911 6.100 ( 12.824 9.931 1.729) 16.312 6.523 ( -11.647 -3.556 -6.481) 13.795 6.886 ( 3.421 4.214 12.015) 13.184 6.944 ( -1.073 -1.383 1.409) 2.246 7.706 ( -1.466 4.380 -3.996) 6.108 8.213 ( 1.864 2.350 0.740) 3.090 8.449 ( 0.391 2.677 -1.186) 2.954 8.529 ( 1.202 -10.803 3.314) 11.364 9.493 ( -0.765 3.480 1.880) 4.029 10.268 ( -1.684 0.657 -0.167) 1.815 10.441 ( 0.796 0.886 2.153) 2.461 11.381 ( -0.023 -1.919 3.514) 4.004 20.188 ( -0.264 -0.318 0.396) 0.572 20.420 ( 0.298 0.460 -0.489) 0.735 20.533 ( -0.207 0.530 0.470) 0.738 20.690 ( -0.021 0.046 -0.061) 0.079 24.883 ( -0.007 -0.773 -0.887) 1.177 25.474 ( -0.002 0.173 0.164) 0.239 32.480 ( 0.348 0.442 -1.149) 1.279 32.521 ( -0.272 0.044 1.329) 1.357 42.049 ( 0.868 -1.023 3.735) 3.968 43.850 ( -0.942 0.809 -3.885) 4.079 44.256 ( 0.959 -5.513 -25.585) 26.190 45.432 ( -0.766 9.990 26.596) 28.421 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 14.459 -5.680 -2.416) 15.721 2.970 ( 19.473 6.211 -1.541) 20.498 3.411 ( -2.649 -18.908 -4.644) 19.649 3.742 ( -5.750 -3.291 -8.251) 10.582 4.318 ( 3.286 2.338 -3.980) 5.666 4.735 ( 4.422 5.358 -0.758) 6.988 5.154 ( -7.383 -2.018 0.012) 7.654 5.427 ( -3.589 -7.410 -2.578) 8.628 5.708 ( 5.756 -3.643 0.712) 6.850 6.163 ( -18.648 -3.212 0.722) 18.936 6.424 ( 8.763 0.941 -5.119) 10.192 6.867 ( -0.580 7.260 3.863) 8.244 7.113 ( 8.406 -5.354 4.245) 10.833 7.739 ( 2.211 2.281 -3.023) 4.385 8.194 ( -5.894 0.024 4.325) 7.311 8.470 ( 5.915 -10.827 0.239) 12.340 8.502 ( 2.958 -1.018 -0.866) 3.246 9.500 ( -0.974 -0.095 3.516) 3.650 10.266 ( -0.592 2.995 -1.321) 3.327 10.526 ( 1.216 10.147 3.658) 10.855 11.340 ( -5.337 -0.615 3.159) 6.232 20.205 ( 2.196 0.381 0.259) 2.243 20.424 ( -0.413 0.515 0.075) 0.665 20.538 ( -0.597 1.373 0.479) 1.572 20.665 ( -2.489 -0.694 -0.174) 2.590 24.865 ( -0.390 -0.762 -1.463) 1.695 25.477 ( 0.027 0.232 0.272) 0.359 32.486 ( 0.185 0.764 -1.041) 1.305 32.523 ( -0.525 0.368 1.584) 1.709 42.149 ( 9.124 -0.931 5.216) 10.551 43.802 ( -3.283 1.394 -8.505) 9.222 44.054 ( 0.088 -12.104 -20.704) 23.982 45.638 ( -1.463 8.533 27.506) 28.836 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 22.522 4.033 -4.998) 23.419 3.112 ( -5.891 -15.479 1.811) 16.661 3.199 ( 6.500 -10.985 -12.744) 18.037 3.819 ( 20.856 1.710 -2.253) 21.047 4.334 ( -0.703 1.124 -6.665) 6.796 4.736 ( -4.073 -7.045 -5.360) 9.745 5.028 ( -8.788 1.352 3.225) 9.458 5.209 ( -6.275 -11.586 0.434) 13.183 5.795 ( -3.408 -2.074 1.099) 4.138 5.931 ( 1.541 -2.908 3.927) 5.124 6.413 ( -5.575 4.419 -3.131) 7.773 7.029 ( 9.000 -5.583 -4.758) 11.611 7.184 ( 9.633 -4.472 8.584) 13.655 7.756 ( -0.831 2.980 -6.663) 7.346 8.080 ( -7.949 -5.338 7.627) 12.241 8.496 ( 10.162 -11.283 1.329) 15.243 8.540 ( 1.744 0.623 -3.918) 4.333 9.526 ( 1.589 0.572 4.883) 5.167 10.282 ( 0.235 2.092 -1.433) 2.547 10.705 ( -1.044 19.531 5.883) 20.425 11.238 ( -6.365 0.245 0.503) 6.389 20.273 ( 4.212 1.760 0.719) 4.621 20.414 ( -1.516 0.459 0.672) 1.721 20.543 ( -1.636 1.787 0.238) 2.434 20.600 ( -2.741 -1.653 -0.671) 3.270 24.841 ( -0.557 -0.758 -1.661) 1.909 25.481 ( 0.014 0.200 0.305) 0.365 32.484 ( -0.689 0.425 -0.540) 0.973 32.532 ( -0.094 1.089 1.265) 1.672 42.373 ( 14.249 -0.744 6.240) 15.573 43.618 ( -7.904 -5.639 -19.595) 21.869 43.857 ( -1.738 -12.729 -4.216) 13.521 45.857 ( 1.999 10.505 22.860) 25.237 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 3.439 5.282 -6.928) 9.367 2.859 ( -2.700 -19.749 0.866) 19.952 3.231 ( 19.301 -6.126 -8.904) 22.122 4.126 ( 1.979 -1.586 1.038) 2.741 4.291 ( 7.534 -6.096 -9.006) 13.230 4.498 ( -6.368 -6.003 -2.397) 9.074 4.736 ( -16.863 -15.973 -0.221) 23.228 5.111 ( -0.411 -2.184 2.289) 3.190 5.753 ( 1.735 1.243 2.057) 2.964 6.006 ( 4.885 -3.468 4.731) 7.634 6.359 ( -5.851 4.738 -0.340) 7.537 7.046 ( 9.739 -9.866 -3.512) 14.301 7.437 ( 13.988 -0.077 6.019) 15.228 7.666 ( -9.771 2.011 -4.763) 11.055 7.963 ( 0.061 -6.226 3.679) 7.232 8.510 ( -2.514 -0.414 -5.358) 5.933 8.582 ( 10.976 -10.407 0.451) 15.133 9.604 ( 3.593 0.236 5.106) 6.248 10.291 ( -0.516 0.663 -0.284) 0.887 10.815 ( -13.097 13.590 8.016) 20.506 11.253 ( 5.240 12.582 -3.984) 14.200 20.377 ( 2.947 2.654 0.743) 4.035 20.397 ( -0.228 1.039 1.639) 1.954 20.473 ( -4.393 -2.668 -0.298) 5.148 20.588 ( 0.383 1.820 -0.912) 2.071 24.817 ( -0.464 -0.756 -1.430) 1.683 25.484 ( -0.040 0.118 0.273) 0.300 32.468 ( -1.245 0.111 -0.102) 1.254 32.551 ( 0.221 1.481 0.783) 1.690 42.650 ( 14.454 -0.221 6.320) 15.777 43.285 ( -7.005 -13.378 -19.661) 24.791 43.657 ( -8.510 -11.231 4.128) 14.683 46.152 ( 7.009 13.796 14.821) 21.427 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 0.555 -23.065 -0.761) 23.084 2.679 ( -3.618 -4.459 -1.312) 5.890 3.507 ( 10.781 3.251 -3.199) 11.706 3.941 ( -9.435 -6.352 -6.343) 13.023 4.179 ( -2.036 -8.880 1.769) 9.281 4.231 ( -11.132 -19.666 -6.997) 23.656 4.600 ( 0.914 5.009 4.289) 6.657 5.141 ( 6.984 -1.405 -0.556) 7.145 5.864 ( 8.165 1.035 -1.827) 8.430 6.087 ( 3.793 -0.336 5.085) 6.353 6.286 ( -6.055 -0.477 3.679) 7.101 7.112 ( 5.323 -6.353 1.052) 8.355 7.436 ( -9.213 -0.325 -5.634) 10.804 7.680 ( 5.034 0.189 10.697) 11.824 8.039 ( 13.843 -0.903 -6.439) 15.294 8.406 ( -4.896 -1.409 -4.065) 6.517 8.655 ( 9.047 -8.961 -1.465) 12.818 9.688 ( 3.663 -0.743 3.420) 5.066 10.268 ( -2.912 -0.466 1.927) 3.523 10.686 ( -13.025 4.888 3.419) 14.326 11.520 ( 6.176 19.596 -3.388) 20.824 20.361 ( -3.193 -2.605 -1.355) 4.338 20.369 ( -2.209 -0.169 1.522) 2.688 20.509 ( 4.422 2.522 1.888) 5.429 20.612 ( 0.276 2.982 -1.010) 3.161 24.799 ( -0.148 -0.703 -0.824) 1.094 25.485 ( -0.102 0.060 0.198) 0.231 32.447 ( -1.128 0.045 0.063) 1.131 32.572 ( 0.189 1.373 0.404) 1.443 42.862 ( 2.902 -1.132 -0.475) 3.150 42.984 ( 2.639 -13.387 -10.571) 17.261 43.423 ( -9.878 -9.261 9.059) 16.292 46.475 ( 7.541 13.963 6.357) 17.095 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 6.000 9.627 -8.338) 14.078 2.708 ( 8.664 6.448 7.616) 13.215 3.221 ( 15.510 9.913 -2.927) 18.638 3.675 ( 8.175 -12.629 -2.178) 15.201 4.053 ( 3.023 0.415 7.485) 8.083 4.522 ( -2.555 5.545 5.973) 8.541 4.751 ( -5.756 7.003 12.267) 15.253 5.513 ( 6.278 -9.636 -2.242) 11.717 5.845 ( 2.233 4.142 -5.239) 7.042 6.097 ( 1.504 -0.976 1.251) 2.186 6.219 ( -5.235 -1.534 3.625) 6.550 6.908 ( -3.684 1.704 0.195) 4.064 7.355 ( 4.738 1.542 -2.900) 5.765 7.690 ( -1.432 -7.328 -0.976) 7.530 8.242 ( 11.494 -2.568 3.938) 12.418 8.460 ( 3.397 -2.220 1.129) 4.212 8.697 ( 1.838 5.048 -9.270) 10.714 9.664 ( -0.777 -2.567 -2.217) 3.479 10.189 ( -2.507 1.577 2.131) 3.649 10.582 ( -6.949 6.065 0.458) 9.235 11.665 ( -6.752 -8.198 -7.023) 12.732 20.248 ( 0.975 2.173 -1.378) 2.751 20.393 ( -1.106 1.894 1.239) 2.519 20.576 ( -1.467 -0.957 -0.979) 2.007 20.646 ( -1.011 -3.250 0.703) 3.475 24.797 ( 1.150 -0.396 0.820) 1.467 25.485 ( -0.248 0.163 0.013) 0.297 32.444 ( -0.510 0.689 0.638) 1.069 32.580 ( -1.037 -0.278 -0.592) 1.226 42.596 ( 9.479 8.443 -12.612) 17.894 43.078 ( 3.133 -5.992 11.817) 13.615 43.449 ( 0.108 5.039 11.820) 12.850 46.610 ( -11.353 -3.345 -10.441) 15.783 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 7.570 8.572 -4.456) 12.274 2.991 ( 10.497 6.924 9.805) 15.946 3.608 ( 14.501 13.769 -1.466) 20.050 3.739 ( 10.220 -4.043 -3.700) 11.597 4.168 ( 7.200 2.937 4.293) 8.882 4.563 ( 0.440 0.315 9.188) 9.204 4.789 ( -5.110 6.439 7.355) 11.031 5.358 ( -10.895 -8.919 0.913) 14.110 5.889 ( -1.360 0.901 -2.999) 3.414 6.080 ( 0.736 -0.901 -2.616) 2.863 6.177 ( -1.380 0.443 3.253) 3.561 6.978 ( 6.163 10.705 -2.942) 12.698 7.392 ( -2.084 2.347 -1.720) 3.580 7.626 ( 1.594 -6.195 1.187) 6.506 8.394 ( 1.784 -1.355 2.104) 3.073 8.404 ( -3.032 -2.143 -0.215) 3.719 8.734 ( 1.993 3.997 -4.617) 6.423 9.585 ( -4.513 -0.532 -3.590) 5.791 10.208 ( 1.828 1.765 1.194) 2.808 10.538 ( -3.846 3.114 -0.647) 4.991 11.425 ( -4.624 -13.659 -4.524) 15.113 20.292 ( 1.687 3.069 -1.422) 3.780 20.401 ( -0.253 0.543 0.778) 0.982 20.510 ( -3.612 -1.203 -0.718) 3.874 20.614 ( 0.255 -3.277 0.752) 3.372 24.819 ( 1.310 -0.390 0.997) 1.692 25.482 ( -0.252 0.156 -0.084) 0.308 32.449 ( 0.014 0.474 0.579) 0.749 32.554 ( -1.057 -0.642 -0.741) 1.441 42.786 ( 6.820 9.138 -12.456) 16.887 43.124 ( 2.544 -2.252 9.379) 9.975 43.624 ( 5.675 7.816 14.822) 17.691 46.258 ( -17.007 -6.176 -12.917) 22.231 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 7.610 0.308 -0.445) 7.629 3.275 ( 6.034 8.787 11.188) 15.453 3.789 ( -2.597 2.088 -1.642) 3.715 3.937 ( 15.209 3.811 2.594) 15.893 4.344 ( 7.407 -4.795 -5.440) 10.366 4.677 ( -12.305 -7.529 2.961) 14.727 4.733 ( 10.591 11.242 7.584) 17.207 5.120 ( -10.087 6.852 -3.262) 12.623 5.784 ( -8.623 -0.981 0.748) 8.711 6.079 ( -1.863 1.806 -0.137) 2.599 6.230 ( 7.154 -1.613 0.753) 7.372 7.219 ( 5.528 3.295 -3.293) 7.229 7.342 ( -3.863 15.625 -1.470) 16.162 7.626 ( 2.784 -4.226 2.092) 5.476 8.156 ( -13.700 -6.093 1.466) 15.065 8.485 ( 5.104 -3.385 -3.710) 7.160 8.773 ( -2.223 5.374 0.922) 5.889 9.492 ( -4.304 1.730 -3.252) 5.665 10.279 ( 4.786 -1.428 1.505) 5.216 10.496 ( -2.819 0.852 -1.583) 3.344 11.232 ( -1.519 -10.746 -1.526) 10.960 20.337 ( 1.105 2.244 -1.184) 2.767 20.379 ( -1.952 -1.840 -0.138) 2.686 20.476 ( 0.144 1.473 0.581) 1.590 20.591 ( 0.167 -2.651 0.362) 2.681 24.842 ( 1.302 -0.469 0.764) 1.580 25.479 ( -0.235 0.123 -0.108) 0.287 32.458 ( 0.391 0.184 0.291) 0.521 32.529 ( -0.775 -0.557 -0.552) 1.102 42.756 ( -9.288 -0.537 -2.303) 9.584 43.312 ( 12.271 8.971 -3.304) 15.556 43.918 ( 11.194 4.858 15.331) 19.595 45.829 ( -19.319 -3.491 -11.509) 22.757 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 8.934 -1.236 2.841) 9.456 3.371 ( -12.473 7.237 9.087) 17.045 3.692 ( -11.345 -2.263 3.281) 12.025 4.150 ( -3.099 1.014 3.221) 4.583 4.265 ( 10.337 -12.633 -9.189) 18.732 4.425 ( -3.281 -2.583 -9.892) 10.737 5.074 ( 4.514 8.985 5.595) 11.507 5.134 ( 5.274 7.195 -3.420) 9.554 5.681 ( -0.194 1.685 2.125) 2.719 6.044 ( -5.545 4.216 -0.970) 7.033 6.359 ( 8.731 -2.709 4.104) 10.020 7.061 ( -11.531 -2.066 -7.129) 13.713 7.553 ( -8.685 5.261 6.378) 11.991 7.688 ( 11.674 8.007 -2.283) 14.339 7.926 ( -3.425 -7.208 1.666) 8.153 8.468 ( -0.598 -0.566 -6.587) 6.638 8.760 ( -5.082 1.795 3.136) 6.236 9.459 ( -1.605 3.825 -0.544) 4.184 10.335 ( 4.297 -5.210 2.192) 7.101 10.449 ( -3.699 2.503 -0.537) 4.498 11.167 ( 3.415 -5.226 0.166) 6.245 20.319 ( -3.136 -0.542 0.452) 3.214 20.369 ( 1.184 1.134 -0.587) 1.741 20.508 ( 1.137 0.241 0.293) 1.199 20.584 ( 1.629 -0.901 -0.110) 1.865 24.860 ( 1.112 -0.599 0.177) 1.275 25.476 ( -0.183 0.106 -0.027) 0.213 32.466 ( 0.430 -0.104 -0.351) 0.564 32.515 ( -0.229 -0.110 0.157) 0.298 42.527 ( -14.427 -2.065 1.102) 14.616 43.588 ( 12.062 8.488 -7.328) 16.469 44.180 ( 10.204 -4.278 6.719) 12.945 45.495 ( -14.912 5.711 -1.641) 16.052 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -15.555 7.776 7.854) 19.082 3.150 ( -16.117 -3.467 -1.183) 16.529 3.414 ( -5.557 -9.412 -2.122) 11.134 4.130 ( -3.513 5.753 3.546) 7.616 4.219 ( 0.249 -6.700 -9.034) 11.250 4.407 ( 6.593 -4.271 -10.749) 13.313 5.087 ( -1.081 -5.089 2.776) 5.897 5.368 ( 15.191 6.703 -2.971) 16.868 5.765 ( -1.791 -1.589 -2.510) 3.469 6.046 ( 1.303 11.722 2.728) 12.106 6.519 ( 10.225 -2.454 6.480) 12.352 6.791 ( -11.321 -4.299 -6.033) 13.529 7.333 ( -12.560 -9.526 3.713) 16.195 7.814 ( -0.265 -3.886 1.470) 4.163 8.028 ( 7.398 10.848 1.064) 13.174 8.433 ( -0.535 3.274 -6.856) 7.617 8.664 ( -7.041 -2.806 2.017) 7.844 9.495 ( 0.165 3.765 2.654) 4.610 10.361 ( 3.306 -3.593 2.825) 5.641 10.416 ( -5.367 5.853 0.750) 7.977 11.228 ( 6.935 -2.483 1.365) 7.492 20.264 ( -3.490 0.018 0.845) 3.591 20.399 ( 1.128 1.337 -0.454) 1.807 20.515 ( 0.493 -0.803 0.471) 1.053 20.627 ( 3.225 0.373 -0.369) 3.267 24.869 ( 0.777 -0.716 -0.631) 1.231 25.475 ( -0.099 0.142 0.130) 0.217 32.468 ( 0.346 0.101 -0.877) 0.948 32.519 ( 0.187 0.161 0.941) 0.972 42.279 ( -12.931 -1.820 2.397) 13.277 43.775 ( 6.899 3.605 -6.548) 10.171 44.197 ( 3.480 -10.954 -12.011) 16.625 45.471 ( -4.283 12.323 16.832) 21.296 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -29.835 7.648 3.583) 31.008 2.781 ( -13.169 -4.079 -4.257) 14.429 3.380 ( 6.294 -11.725 -6.039) 14.614 4.040 ( -6.647 -3.324 -3.845) 8.367 4.169 ( 1.962 -2.986 -3.047) 4.695 4.470 ( 10.390 0.901 -6.580) 12.331 5.090 ( 5.836 -3.550 -0.598) 6.857 5.556 ( -6.163 -6.231 -8.396) 12.136 5.694 ( 9.827 4.564 -1.012) 10.882 6.159 ( -3.954 7.407 0.964) 8.451 6.584 ( -4.092 -8.320 1.233) 9.353 6.727 ( 11.854 -2.056 4.218) 12.749 7.082 ( -8.574 -5.729 7.100) 12.520 7.750 ( -2.969 -2.759 0.175) 4.057 8.218 ( 4.837 5.689 1.468) 7.610 8.399 ( 0.770 -11.355 -1.557) 11.487 8.521 ( -7.699 4.324 -4.140) 9.752 9.533 ( -0.495 -0.555 4.620) 4.680 10.378 ( -3.561 3.124 -0.637) 4.779 10.447 ( 1.082 9.566 4.661) 10.696 11.337 ( 5.762 -0.759 3.179) 6.624 20.216 ( -2.665 0.282 0.632) 2.753 20.423 ( 0.298 1.722 -0.622) 1.855 20.526 ( 1.044 -0.707 1.098) 1.671 20.678 ( 2.111 0.600 -0.229) 2.207 24.866 ( 0.375 -0.756 -1.458) 1.684 25.477 ( -0.023 0.221 0.277) 0.355 32.474 ( 0.422 0.703 -1.000) 1.293 32.531 ( 0.129 0.272 1.446) 1.477 42.107 ( -6.859 -1.482 3.564) 7.870 43.821 ( 1.303 -1.551 -4.123) 4.594 44.039 ( 1.654 -9.529 -23.352) 25.276 45.670 ( -0.264 9.286 27.287) 28.825 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -15.040 -1.455 0.726) 15.128 2.747 ( 9.350 5.638 -5.161) 12.077 3.203 ( -2.285 -19.615 -10.792) 22.504 3.828 ( -10.535 -5.588 -4.850) 12.874 4.213 ( 7.576 -3.497 -3.929) 9.223 4.661 ( 9.381 4.665 -4.070) 11.240 5.166 ( 3.624 -0.846 -1.378) 3.968 5.352 ( -1.904 -7.323 -5.008) 9.073 5.710 ( -6.088 -3.198 -3.522) 7.727 6.234 ( 5.285 0.646 -3.428) 6.332 6.388 ( -8.660 -5.587 5.913) 11.881 6.880 ( 8.460 -8.240 1.500) 11.905 7.044 ( -2.594 3.583 9.805) 10.757 7.690 ( 0.329 -5.117 0.611) 5.164 8.244 ( 2.235 -18.783 3.221) 19.188 8.326 ( 1.531 4.380 -1.529) 4.885 8.446 ( -3.701 2.260 -6.011) 7.412 9.521 ( -0.900 -3.273 5.268) 6.267 10.342 ( -3.821 3.498 -0.909) 5.260 10.638 ( 2.753 17.630 3.881) 18.261 11.415 ( -0.033 1.197 5.428) 5.559 20.196 ( -0.342 0.874 0.385) 1.014 20.439 ( -0.180 1.846 -0.267) 1.874 20.543 ( 0.873 -0.362 1.042) 1.406 20.696 ( -0.820 0.357 0.011) 0.894 24.852 ( -0.013 -0.713 -2.100) 2.217 25.481 ( 0.003 0.278 0.349) 0.446 32.485 ( 0.393 1.222 -0.989) 1.620 32.542 ( -0.184 0.521 1.806) 1.889 42.070 ( 1.702 -1.273 4.811) 5.260 43.774 ( -0.581 -4.719 -8.777) 9.982 43.838 ( 0.286 -9.304 -20.523) 22.535 45.882 ( -1.142 5.468 30.938) 31.438 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 15.482 1.683 -1.089) 15.611 2.862 ( 0.781 -21.246 -15.232) 26.154 3.050 ( 12.319 -0.557 -0.880) 12.363 3.591 ( -1.939 -5.401 -6.425) 8.614 4.257 ( 4.569 -5.127 -5.984) 9.109 4.716 ( -2.405 -4.286 -4.248) 6.497 5.150 ( -4.559 1.664 2.769) 5.588 5.237 ( -5.230 -6.554 -7.501) 11.250 5.666 ( 8.033 -3.167 4.301) 9.647 6.035 ( -10.590 -8.860 -0.762) 13.828 6.446 ( 3.309 2.767 -0.630) 4.359 6.850 ( 1.911 -15.173 0.538) 15.302 7.110 ( 1.219 3.995 8.576) 9.539 7.664 ( 4.822 -7.552 -2.526) 9.309 8.208 ( 2.984 -10.466 8.901) 14.060 8.263 ( -4.654 -0.618 -6.881) 8.330 8.440 ( 5.277 -2.997 -3.637) 7.075 9.516 ( 1.100 -3.191 5.575) 6.517 10.315 ( -2.215 2.455 -1.105) 3.486 10.918 ( 4.800 24.377 1.663) 24.901 11.396 ( -8.507 2.281 7.369) 11.484 20.233 ( 2.823 2.058 0.652) 3.554 20.448 ( -0.966 1.505 0.592) 1.884 20.561 ( 0.860 0.603 0.233) 1.076 20.651 ( -4.294 -0.791 -0.080) 4.367 24.831 ( -0.289 -0.663 -2.395) 2.502 25.485 ( -0.029 0.267 0.351) 0.442 32.496 ( -0.174 1.239 -0.732) 1.450 32.554 ( -0.325 1.070 1.781) 2.103 42.186 ( 9.872 -1.099 5.946) 11.577 43.518 ( -5.352 -13.588 -21.794) 26.234 43.757 ( 1.164 -5.077 -4.887) 7.143 46.066 ( -0.842 5.106 29.809) 30.255 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 14.593 -10.414 -12.717) 21.980 2.699 ( 18.174 -5.409 -4.209) 19.424 2.989 ( -7.212 -8.440 -1.896) 11.263 3.795 ( 25.079 -2.949 -1.913) 25.324 4.170 ( -1.739 -11.220 -9.372) 14.722 4.541 ( -6.095 -6.961 -0.884) 9.294 4.834 ( -19.364 -15.750 -1.017) 24.982 5.198 ( -2.505 6.052 -2.010) 6.852 5.751 ( -0.138 -5.937 0.307) 5.946 5.911 ( 5.615 -3.735 6.977) 9.703 6.453 ( -3.327 -3.018 1.102) 4.625 6.784 ( 8.600 -6.583 -3.020) 11.243 7.256 ( 8.355 0.098 6.755) 10.744 7.674 ( 4.619 -3.156 -8.101) 9.845 8.006 ( -11.059 -8.767 4.159) 14.712 8.324 ( 9.073 -7.468 2.303) 11.974 8.464 ( 3.168 -2.446 -4.985) 6.393 9.551 ( 3.412 -3.752 5.380) 7.394 10.302 ( -0.806 0.764 -0.340) 1.162 11.241 ( -6.658 -0.051 -0.686) 6.694 11.294 ( -2.131 31.895 6.658) 32.652 20.333 ( 5.066 3.211 1.377) 6.154 20.441 ( -1.919 1.317 1.308) 2.669 20.541 ( -6.112 -2.528 -0.559) 6.638 20.587 ( 0.934 1.738 -0.534) 2.043 24.807 ( -0.320 -0.673 -2.228) 2.350 25.488 ( -0.096 0.201 0.323) 0.393 32.493 ( -1.161 0.904 -0.168) 1.481 32.571 ( -0.162 1.601 1.234) 2.028 42.423 ( 14.799 -0.937 6.589) 16.227 43.160 ( -7.002 -15.799 -18.910) 25.617 43.668 ( -2.852 -8.137 -0.693) 8.650 46.281 ( 2.699 8.542 23.223) 24.891 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 7.550 -21.768 -12.762) 26.338 2.708 ( -7.318 -8.056 0.209) 10.885 3.284 ( 27.703 12.823 -2.781) 30.653 3.917 ( -1.457 -18.996 -6.733) 20.206 4.059 ( 2.971 -16.781 6.759) 18.333 4.179 ( -15.791 -14.570 -9.284) 23.406 4.601 ( 4.486 4.343 2.091) 6.585 5.175 ( -5.531 5.090 -0.923) 7.573 5.730 ( 5.833 -4.902 -1.381) 7.744 6.039 ( 5.450 -0.737 9.087) 10.622 6.333 ( -2.787 -10.446 3.933) 11.504 6.950 ( 10.506 3.648 -3.560) 11.677 7.428 ( 8.224 -3.858 0.545) 9.101 7.611 ( -1.903 -4.559 -2.847) 5.702 7.857 ( 2.786 -6.865 2.552) 7.836 8.354 ( 2.342 -7.361 -1.667) 7.902 8.485 ( 4.731 -0.682 -3.334) 5.828 9.605 ( 4.629 -4.381 4.059) 7.556 10.293 ( -0.686 -0.916 1.593) 1.962 11.019 ( -16.212 1.299 4.187) 16.794 11.655 ( 2.591 29.536 -3.536) 29.860 20.401 ( -5.206 -2.423 -1.315) 5.891 20.418 ( -1.733 0.451 1.428) 2.291 20.473 ( 3.777 3.131 2.376) 5.451 20.621 ( 1.151 2.412 -0.902) 2.821 24.787 ( -0.048 -0.693 -1.586) 1.732 25.489 ( -0.160 0.139 0.285) 0.355 32.476 ( -1.658 0.779 0.199) 1.843 32.590 ( -0.177 1.573 0.689) 1.726 42.701 ( 14.734 -1.948 5.327) 15.788 42.814 ( -5.392 -13.513 -14.476) 20.524 43.505 ( -6.376 -10.194 5.254) 13.122 46.544 ( 4.915 11.282 13.070) 17.952 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 14.730 10.291 -7.635) 19.524 2.589 ( 6.767 -6.567 1.011) 9.483 3.092 ( 13.433 17.508 -2.957) 22.265 3.431 ( 7.555 -9.536 3.237) 12.589 4.032 ( 5.254 -1.849 8.163) 9.882 4.613 ( -0.952 1.156 2.071) 2.556 4.962 ( -2.280 5.479 9.117) 10.878 5.240 ( 5.867 -11.167 -2.002) 12.773 5.794 ( 6.648 4.371 -5.188) 9.499 6.004 ( 6.926 -6.818 1.331) 9.810 6.307 ( -3.018 1.195 6.664) 7.412 6.933 ( 1.905 -6.094 -1.522) 6.563 7.279 ( 3.358 3.519 -2.451) 5.447 7.569 ( 5.860 -10.618 0.707) 12.149 8.034 ( 9.191 -0.830 8.107) 12.284 8.380 ( 4.576 -0.505 0.660) 4.651 8.578 ( 8.058 0.611 -13.872) 16.054 9.627 ( 2.608 -1.170 -0.799) 2.968 10.259 ( -2.760 0.688 2.778) 3.976 10.848 ( -10.701 11.400 3.167) 15.953 11.737 ( -15.939 -5.860 -10.690) 20.066 20.265 ( -0.326 3.930 -1.315) 4.157 20.445 ( -2.064 1.883 0.737) 2.889 20.570 ( 0.377 -0.916 -0.304) 1.036 20.641 ( -1.957 -4.226 0.622) 4.698 24.778 ( 1.135 -0.407 0.689) 1.388 25.491 ( -0.254 0.131 0.028) 0.287 32.472 ( -1.411 0.938 0.704) 1.835 32.596 ( -1.340 -0.062 -0.631) 1.483 42.457 ( 8.928 7.845 -11.065) 16.238 42.981 ( 6.273 -9.936 12.412) 17.092 43.519 ( 3.431 3.619 9.766) 10.966 46.712 ( -9.836 -1.926 -10.036) 14.183 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 5.568 16.660 -5.795) 18.497 2.814 ( 18.723 -1.648 8.582) 20.662 3.285 ( 12.135 -9.232 -7.690) 17.077 3.746 ( 12.445 25.867 3.128) 28.875 4.109 ( 2.941 -2.953 7.150) 8.276 4.581 ( -0.892 -4.396 4.238) 6.171 4.981 ( -7.225 3.592 5.846) 9.964 5.216 ( 10.146 -17.760 0.088) 20.454 5.906 ( 3.296 2.197 -5.334) 6.644 6.021 ( 0.838 1.125 -2.023) 2.462 6.265 ( -6.182 -0.269 4.908) 7.898 6.953 ( 5.198 0.904 0.820) 5.339 7.398 ( 5.507 6.638 -4.338) 9.654 7.545 ( 0.422 -6.586 5.622) 8.670 8.229 ( 10.009 -3.390 1.219) 10.637 8.439 ( 2.022 -1.932 2.733) 3.910 8.625 ( 6.798 -0.791 -10.034) 12.146 9.635 ( -1.394 1.519 -1.461) 2.527 10.248 ( -1.629 2.498 1.271) 3.242 10.769 ( -14.501 12.234 1.165) 19.008 11.373 ( -8.534 -13.456 -6.798) 17.324 20.306 ( 0.452 4.969 -1.285) 5.152 20.426 ( -1.765 0.423 -0.056) 1.816 20.547 ( -2.791 -1.597 -0.154) 3.219 20.576 ( 0.482 -3.831 0.881) 3.960 24.798 ( 1.257 -0.396 0.852) 1.569 25.488 ( -0.263 0.110 -0.070) 0.294 32.463 ( -0.810 0.402 0.648) 1.113 32.567 ( -1.401 -0.271 -0.743) 1.609 42.668 ( 10.624 11.585 -12.453) 20.054 43.057 ( 5.795 -9.860 14.599) 18.545 43.665 ( 4.112 4.083 8.659) 10.420 46.419 ( -14.706 -2.947 -11.516) 18.909 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -0.882 8.245 -1.888) 8.505 3.198 ( 18.209 3.994 10.020) 21.164 3.433 ( 19.517 -5.607 -9.290) 22.331 4.046 ( -0.614 5.585 8.806) 10.445 4.221 ( 3.052 6.142 -4.145) 8.013 4.621 ( 10.746 -2.976 6.419) 12.866 4.805 ( -11.076 -10.535 1.193) 15.332 5.225 ( 0.722 -2.575 -0.135) 2.678 5.939 ( 5.609 2.262 -6.535) 8.904 6.037 ( -5.060 3.023 1.973) 6.216 6.168 ( -2.933 -2.537 0.992) 4.003 7.123 ( 8.711 2.564 3.473) 9.722 7.517 ( -0.949 13.072 -2.789) 13.400 7.537 ( 3.725 -4.826 3.728) 7.146 8.236 ( -1.792 -10.617 -8.434) 13.677 8.385 ( -2.903 -3.101 4.682) 6.322 8.768 ( 9.074 3.507 -0.282) 9.732 9.590 ( -5.587 3.385 -1.797) 6.775 10.258 ( -0.595 2.078 0.123) 2.165 10.626 ( -10.604 5.372 -1.392) 11.968 11.162 ( -2.202 -7.890 -1.485) 8.325 20.350 ( 0.049 3.563 -1.017) 3.705 20.395 ( -1.586 -0.467 -0.365) 1.693 20.494 ( -0.944 -1.072 0.392) 1.481 20.563 ( 0.209 -2.012 0.527) 2.090 24.819 ( 1.245 -0.461 0.596) 1.455 25.484 ( -0.253 0.085 -0.093) 0.283 32.459 ( -0.210 -0.169 0.412) 0.492 32.540 ( -1.168 0.042 -0.540) 1.288 42.824 ( 0.946 5.483 -7.794) 9.577 43.171 ( 9.935 -2.641 8.773) 13.515 43.827 ( 8.180 -1.035 6.602) 10.562 46.079 ( -17.373 1.523 -8.563) 19.428 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 3.672 5.012 -0.603) 6.243 3.502 ( 8.022 -1.725 4.768) 9.490 3.694 ( 14.539 3.415 -4.088) 15.484 4.069 ( -0.075 -10.478 -3.538) 11.060 4.151 ( -8.522 2.004 5.369) 10.270 4.493 ( -8.962 -6.660 -3.474) 11.694 4.867 ( 16.489 -9.871 1.469) 19.274 5.200 ( -4.283 5.279 -0.136) 6.799 5.900 ( -13.045 7.533 2.858) 15.332 6.076 ( 4.881 3.382 -5.790) 8.294 6.185 ( 8.383 -3.882 3.099) 9.744 7.162 ( -6.132 -4.058 1.604) 7.526 7.575 ( -0.721 -0.260 -2.150) 2.282 7.692 ( 10.212 7.335 -1.121) 12.623 7.964 ( -10.783 -5.708 0.640) 12.217 8.371 ( 2.792 -6.019 2.030) 6.938 8.898 ( -1.065 7.115 -0.727) 7.231 9.524 ( -3.791 2.662 -0.320) 4.643 10.262 ( 0.793 -1.135 -0.142) 1.392 10.557 ( -3.055 5.015 0.345) 5.883 11.097 ( -0.296 -1.506 -0.084) 1.537 20.359 ( -1.089 0.258 0.452) 1.207 20.373 ( -0.738 1.471 -0.505) 1.721 20.500 ( 1.096 0.595 0.082) 1.250 20.549 ( 0.317 -1.631 -0.029) 1.662 24.836 ( 1.094 -0.584 -0.000) 1.240 25.480 ( -0.203 0.079 0.000) 0.218 32.457 ( 0.220 -0.430 0.001) 0.483 32.525 ( -0.679 0.506 -0.001) 0.847 42.729 ( -10.365 -1.095 0.339) 10.428 43.408 ( 13.277 3.302 -1.045) 13.721 43.949 ( 9.777 -11.130 0.793) 14.836 45.827 ( -15.268 10.081 -0.088) 18.296 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 10.448 6.069 0.852) 12.113 3.426 ( -8.382 -12.926 -6.096) 16.568 3.595 ( -25.425 -2.014 2.545) 25.631 4.013 ( 8.210 -4.663 -7.516) 12.068 4.127 ( 5.132 2.956 -6.683) 8.930 4.415 ( -5.401 3.291 1.610) 6.526 5.029 ( 20.050 -13.384 -0.948) 24.125 5.092 ( -7.978 -9.579 3.852) 13.048 5.852 ( -5.638 10.097 0.014) 11.565 6.124 ( 1.859 5.767 -2.531) 6.567 6.360 ( 10.678 -1.711 4.590) 11.748 6.926 ( -14.118 -5.728 -2.443) 15.431 7.397 ( -8.684 -11.769 -1.446) 14.697 7.759 ( 3.884 -8.782 2.317) 9.878 8.035 ( 3.321 12.418 3.761) 13.393 8.364 ( 2.510 -7.586 0.950) 8.047 8.859 ( -9.753 9.248 -5.709) 14.603 9.528 ( 0.354 1.011 3.841) 3.987 10.279 ( 3.278 -2.305 1.195) 4.181 10.604 ( -2.617 11.989 2.576) 12.539 11.113 ( 3.393 -0.073 -0.374) 3.415 20.330 ( -3.102 0.804 0.947) 3.342 20.394 ( 1.154 1.609 0.132) 1.984 20.513 ( -0.320 0.151 0.455) 0.576 20.563 ( 3.377 -0.871 -0.986) 3.624 24.844 ( 0.841 -0.708 -0.815) 1.369 25.479 ( -0.109 0.118 0.172) 0.235 32.459 ( 0.446 -0.023 -0.385) 0.589 32.526 ( -0.132 0.652 0.678) 0.949 42.507 ( -14.116 -1.924 2.732) 14.506 43.623 ( 10.393 1.738 -4.718) 11.546 43.923 ( 6.299 -17.785 -7.923) 20.464 45.784 ( -8.270 14.808 12.032) 20.795 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -15.306 -6.077 -3.764) 16.893 3.087 ( -7.326 -13.906 -11.294) 19.355 3.203 ( -13.807 13.283 3.140) 19.415 3.982 ( 1.229 -5.100 -10.507) 11.743 4.201 ( -10.610 -11.179 -3.562) 15.819 4.303 ( 5.592 8.022 -0.866) 9.817 4.935 ( 4.392 -13.798 3.420) 14.878 5.268 ( 18.099 -7.380 -6.628) 20.639 5.798 ( -7.941 5.029 -0.389) 9.408 6.249 ( 3.826 5.491 -0.192) 6.695 6.536 ( 10.053 -2.993 1.855) 10.652 6.618 ( -11.819 -8.684 3.907) 15.178 7.172 ( -6.334 -6.904 4.288) 10.304 7.734 ( 0.321 -7.029 1.875) 7.281 8.164 ( 3.606 -3.095 2.896) 5.565 8.279 ( -1.651 -10.561 0.386) 10.696 8.742 ( -10.663 11.696 -10.054) 18.750 9.554 ( -0.540 -2.198 5.882) 6.303 10.340 ( 4.506 -1.213 1.466) 4.891 10.716 ( -5.927 21.963 4.144) 23.123 11.213 ( 8.729 -0.610 1.296) 8.846 20.284 ( -3.919 1.148 1.009) 4.207 20.432 ( 0.903 2.232 -0.299) 2.426 20.513 ( 0.137 -0.357 1.215) 1.274 20.621 ( 4.453 -0.350 -0.899) 4.557 24.842 ( 0.555 -0.750 -1.673) 1.916 25.481 ( -0.011 0.196 0.318) 0.373 32.468 ( 0.568 0.764 -0.623) 1.138 32.539 ( 0.202 0.668 1.305) 1.480 42.277 ( -12.401 -1.699 3.879) 13.104 43.728 ( 5.361 -1.510 -7.084) 9.011 43.769 ( 3.245 -17.170 -13.484) 22.072 45.918 ( -2.712 11.521 21.963) 24.950 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -24.075 -7.601 -8.598) 26.670 2.735 ( -7.590 -2.256 -8.649) 11.726 3.141 ( -15.455 -2.674 0.020) 15.685 3.875 ( -0.512 -7.318 -9.577) 12.064 3.972 ( 3.609 -11.937 -1.285) 12.537 4.489 ( 10.683 3.541 -5.651) 12.594 4.985 ( 11.784 -9.771 1.522) 15.383 5.301 ( -0.511 -3.888 -11.385) 12.042 5.756 ( -3.144 2.903 -2.651) 5.034 6.251 ( -5.625 -0.518 0.369) 5.661 6.428 ( -2.217 -10.675 7.542) 13.257 6.666 ( 7.831 -7.186 3.763) 11.275 7.137 ( 0.417 1.761 8.401) 8.593 7.639 ( -2.230 -10.488 0.700) 10.745 8.036 ( 0.019 -19.420 1.782) 19.502 8.271 ( 2.838 -0.293 1.083) 3.051 8.615 ( -10.206 8.506 -11.318) 17.453 9.527 ( -1.431 -4.945 5.831) 7.778 10.387 ( 0.882 0.045 -0.210) 0.908 10.870 ( -4.606 24.605 1.868) 25.102 11.401 ( 8.563 3.181 7.688) 11.939 20.240 ( -3.085 1.675 0.733) 3.586 20.461 ( 0.100 2.732 -0.763) 2.838 20.525 ( 0.973 -0.829 1.637) 2.077 20.682 ( 2.855 -0.140 -0.263) 2.871 24.831 ( 0.272 -0.658 -2.409) 2.512 25.485 ( 0.033 0.271 0.358) 0.450 32.486 ( 0.580 1.490 -0.741) 1.762 32.558 ( 0.197 0.841 1.779) 1.977 42.121 ( -6.333 -1.381 4.816) 8.075 43.577 ( 2.017 -14.481 -19.000) 23.974 43.715 ( 1.126 -4.628 -5.318) 7.139 46.104 ( -1.194 5.713 28.653) 29.242 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -8.692 -7.461 -8.232) 14.107 2.655 ( -5.702 -11.826 -6.203) 14.520 2.832 ( 4.094 -4.149 -4.710) 7.494 3.632 ( -11.599 -8.383 -7.490) 16.153 4.025 ( 10.192 -9.712 -3.750) 14.569 4.615 ( 6.601 -6.772 -5.880) 11.136 5.078 ( 9.046 -11.159 -5.083) 15.237 5.251 ( 0.232 8.958 -2.546) 9.315 5.643 ( -6.312 -2.571 -1.024) 6.892 6.055 ( -9.106 -14.413 -2.098) 17.178 6.418 ( 2.791 -0.044 4.482) 5.280 6.685 ( 2.475 -12.425 4.863) 13.570 7.205 ( -0.325 0.494 7.725) 7.747 7.510 ( 0.134 -8.270 -1.313) 8.374 7.969 ( 9.155 -12.705 5.282) 16.527 8.318 ( 3.754 -2.222 -0.529) 4.394 8.430 ( -11.686 2.426 -10.137) 15.659 9.490 ( 0.085 -5.688 5.612) 7.991 10.374 ( -2.346 1.418 -1.313) 3.039 11.057 ( 1.831 20.127 -4.730) 20.756 11.602 ( -0.375 10.132 15.636) 18.635 20.234 ( -0.144 2.530 0.640) 2.613 20.481 ( -0.511 2.475 0.029) 2.528 20.544 ( 1.276 -0.306 0.714) 1.494 20.695 ( -1.124 -0.761 0.107) 1.361 24.814 ( -0.012 -0.500 -2.885) 2.928 25.490 ( -0.001 0.296 0.312) 0.430 32.507 ( 0.268 1.872 -0.670) 2.007 32.579 ( -0.056 1.204 1.920) 2.267 42.100 ( 2.228 -1.132 5.629) 6.159 43.340 ( -2.202 -14.816 -18.783) 24.025 43.654 ( 1.451 -5.350 -6.001) 8.170 46.276 ( -1.160 1.978 32.158) 32.240 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 16.281 -13.777 -14.027) 25.527 2.361 ( 3.722 -16.028 -1.820) 16.555 3.017 ( 3.339 -0.583 0.353) 3.408 3.391 ( 8.081 -7.436 -7.944) 13.554 4.009 ( 2.287 -11.178 -7.062) 13.418 4.508 ( -1.578 -14.951 -1.233) 15.084 4.971 ( -6.540 -14.617 -9.572) 18.656 5.287 ( -6.715 7.229 1.973) 10.062 5.642 ( 4.259 -5.400 -0.062) 6.877 5.776 ( 3.068 -12.137 2.310) 12.730 6.456 ( -2.295 -6.385 5.079) 8.475 6.631 ( 4.150 -0.999 -1.583) 4.552 7.237 ( 0.920 0.181 4.646) 4.739 7.485 ( 5.006 -4.439 -3.787) 7.688 8.083 ( 7.015 -13.496 11.762) 19.228 8.169 ( -7.890 -0.299 -10.897) 13.457 8.356 ( 3.142 -2.252 -1.871) 4.295 9.482 ( 2.248 -5.729 5.116) 8.003 10.337 ( -2.461 0.932 -0.880) 2.774 11.238 ( 3.759 9.940 -8.485) 13.598 11.758 ( -7.775 22.309 16.833) 29.008 20.298 ( 3.564 3.529 1.160) 5.148 20.491 ( -1.265 1.934 1.177) 2.593 20.564 ( 0.547 -0.079 -0.991) 1.134 20.630 ( -4.496 -1.290 0.239) 4.683 24.793 ( -0.199 -0.446 -2.911) 2.952 25.494 ( -0.081 0.262 0.255) 0.374 32.520 ( -0.616 1.813 -0.281) 1.935 32.598 ( -0.274 1.600 1.544) 2.240 42.229 ( 10.329 -0.885 6.218) 12.089 43.027 ( -6.064 -15.672 -16.292) 23.405 43.593 ( 1.014 -6.972 -4.610) 8.419 46.449 ( 0.486 2.837 30.020) 30.158 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 8.574 -23.965 -16.746) 30.467 2.613 ( 23.277 -12.048 0.356) 26.213 2.927 ( 3.658 2.671 0.961) 4.630 3.652 ( 15.135 -9.473 -5.682) 18.738 3.833 ( 2.635 -12.131 -2.277) 12.621 4.294 ( -11.647 -14.758 -2.567) 18.975 4.581 ( -3.549 -13.704 -4.730) 14.925 5.282 ( -1.437 4.103 -0.562) 4.384 5.550 ( 2.158 -9.340 -0.716) 9.613 5.963 ( 10.158 0.098 10.188) 14.387 6.293 ( -6.283 -13.026 6.570) 15.885 6.797 ( 10.804 7.416 -8.291) 15.507 7.295 ( 3.896 -0.936 3.489) 5.313 7.520 ( 5.540 -2.427 -9.643) 11.383 7.838 ( -9.247 -11.709 3.925) 15.428 8.246 ( 5.942 -4.743 4.518) 8.844 8.373 ( 4.017 -1.857 -4.134) 6.056 9.503 ( 3.899 -5.490 3.767) 7.716 10.309 ( -1.194 -0.260 1.130) 1.665 11.223 ( -7.197 -0.658 -0.820) 7.274 11.983 ( -4.635 31.752 3.020) 32.230 20.413 ( 3.893 2.733 1.797) 5.085 20.470 ( -5.610 -1.623 -1.323) 5.989 20.499 ( -1.780 1.146 1.917) 2.856 20.614 ( 1.204 1.534 -0.726) 2.081 24.772 ( -0.054 -0.549 -2.273) 2.339 25.495 ( -0.158 0.205 0.225) 0.343 32.517 ( -1.624 1.605 0.187) 2.291 32.615 ( -0.439 1.652 0.874) 1.920 42.464 ( 13.687 -1.623 4.878) 14.620 42.703 ( -4.945 -13.359 -11.877) 18.547 43.492 ( -1.985 -9.821 1.014) 10.070 46.656 ( 2.612 6.783 20.283) 21.546 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 26.451 0.626 1.854) 26.523 2.404 ( 12.489 -1.708 -6.034) 13.975 3.047 ( 1.374 3.151 -3.297) 4.763 3.276 ( 12.204 6.131 6.615) 15.175 3.900 ( 10.197 -4.857 6.858) 13.213 4.525 ( 11.099 -4.660 -3.299) 12.482 4.820 ( 15.067 -14.443 9.739) 23.032 5.314 ( -14.134 -2.266 -0.890) 14.342 5.615 ( 12.927 -4.015 1.621) 13.632 5.822 ( 9.227 7.124 -2.690) 11.963 6.418 ( -2.120 3.413 7.648) 8.639 6.705 ( 7.688 -9.393 -8.276) 14.691 7.275 ( 1.312 0.087 -0.212) 1.332 7.408 ( 5.485 -0.578 5.460) 7.761 8.017 ( -1.868 -3.921 8.606) 9.640 8.243 ( 13.911 1.753 -6.023) 15.260 8.384 ( 3.689 -1.674 -7.932) 8.907 9.536 ( 5.658 -1.294 -1.568) 6.012 10.316 ( -1.980 -0.102 1.849) 2.711 11.121 ( -5.832 9.349 6.432) 12.759 11.991 ( -24.697 -0.487 -12.981) 27.905 20.318 ( -1.219 5.245 -1.387) 5.560 20.500 ( -2.286 1.082 0.148) 2.534 20.553 ( 0.292 -1.176 0.239) 1.235 20.629 ( -1.181 -4.236 0.487) 4.425 24.760 ( 0.956 -0.367 1.147) 1.538 25.496 ( -0.242 0.078 -0.049) 0.259 32.514 ( -2.117 0.779 0.478) 2.306 32.617 ( -1.547 0.231 -0.807) 1.760 42.344 ( 7.427 7.820 -8.506) 13.736 42.811 ( 8.253 -11.917 11.572) 18.548 43.502 ( 6.364 1.032 7.130) 9.612 46.792 ( -7.568 -0.008 -13.663) 15.619 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 24.644 -1.670 5.693) 25.348 2.675 ( 8.042 20.322 -0.927) 21.875 3.002 ( 5.488 -11.660 -2.967) 13.224 3.756 ( 17.311 23.438 3.081) 29.300 4.041 ( 7.009 -5.404 7.062) 11.323 4.545 ( 1.674 -7.342 -1.157) 7.619 4.805 ( 8.207 -25.789 2.665) 27.194 5.153 ( -7.005 1.868 3.574) 8.083 5.770 ( 8.311 -4.178 -2.461) 9.622 6.009 ( 4.708 7.549 -5.368) 10.391 6.419 ( -4.928 1.808 5.367) 7.507 6.776 ( 11.273 -2.660 -1.643) 11.699 7.339 ( 5.193 6.092 -4.063) 8.977 7.532 ( 2.918 -0.954 9.632) 10.109 8.033 ( 7.353 -6.437 1.261) 9.854 8.388 ( 3.104 -1.486 0.930) 3.564 8.431 ( 9.129 0.798 -7.817) 12.045 9.611 ( 4.407 0.809 -2.242) 5.010 10.297 ( -1.304 1.027 0.446) 1.719 11.157 ( -6.245 11.379 6.031) 14.313 11.457 ( -25.962 -6.899 -10.258) 28.755 20.355 ( -0.430 6.121 -1.352) 6.283 20.460 ( -2.347 -0.371 -1.080) 2.610 20.530 ( -0.282 -5.947 0.855) 6.015 20.579 ( -1.510 0.494 0.571) 1.688 24.780 ( 1.041 -0.376 1.201) 1.633 25.492 ( -0.239 0.031 -0.150) 0.284 32.488 ( -1.571 -0.065 0.365) 1.614 32.588 ( -1.609 0.203 -0.815) 1.815 42.547 ( 10.137 11.537 -9.238) 17.922 42.900 ( 8.369 -12.307 14.508) 20.784 43.634 ( 5.488 -1.134 3.711) 6.722 46.568 ( -10.995 1.436 -13.335) 17.343 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 10.455 2.053 3.185) 11.121 2.896 ( 11.050 -4.342 -1.695) 11.993 3.137 ( 13.203 11.245 1.978) 17.456 4.061 ( -0.282 -8.552 8.860) 12.317 4.235 ( 13.907 14.317 -1.140) 19.992 4.474 ( -0.681 -7.390 1.177) 7.514 4.736 ( 6.595 -21.833 -0.644) 22.817 5.115 ( 2.585 -0.123 1.458) 2.970 5.800 ( 3.101 -1.219 -3.890) 5.121 6.087 ( 2.199 3.706 -5.609) 7.073 6.334 ( -9.376 1.472 3.009) 9.956 6.992 ( 11.831 3.670 3.502) 12.873 7.470 ( 2.870 0.326 2.514) 3.829 7.612 ( 2.073 8.251 1.322) 8.610 8.055 ( 4.574 -9.442 -7.493) 12.892 8.433 ( -0.915 -2.676 4.472) 5.291 8.582 ( 13.494 2.310 -0.173) 13.692 9.664 ( 0.593 2.822 -2.426) 3.768 10.294 ( -0.891 1.219 -0.439) 1.572 10.931 ( -21.787 -5.558 -6.580) 23.428 11.187 ( -5.371 8.841 4.199) 11.164 20.384 ( -1.262 1.321 -0.210) 1.839 20.425 ( -1.419 2.868 -1.936) 3.740 20.469 ( 0.365 -4.861 0.198) 4.879 20.573 ( -1.315 1.022 1.025) 1.956 24.799 ( 1.036 -0.443 0.854) 1.414 25.488 ( -0.211 0.000 -0.175) 0.274 32.465 ( -0.846 -0.697 0.196) 1.113 32.562 ( -1.413 0.553 -0.556) 1.616 42.775 ( 7.773 10.886 -9.893) 16.637 43.006 ( 9.379 -11.254 16.409) 21.997 43.694 ( 5.195 -6.687 -0.730) 8.499 46.339 ( -13.405 6.763 -9.012) 17.511 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -2.218 4.134 -2.565) 5.347 3.118 ( 21.405 -10.130 -5.149) 24.235 3.537 ( 16.260 11.252 6.127) 20.701 3.976 ( -2.081 -10.017 4.548) 11.197 4.364 ( -9.015 -5.858 5.507) 12.080 4.444 ( 7.122 -16.548 2.115) 18.139 4.569 ( 0.344 -4.011 -6.976) 8.054 5.239 ( 6.029 2.190 -0.336) 6.424 5.894 ( 9.125 2.920 -1.760) 9.742 6.112 ( 0.942 1.160 -3.029) 3.378 6.190 ( -10.105 2.988 0.708) 10.561 7.204 ( 3.482 1.495 6.653) 7.656 7.478 ( 4.540 -7.744 1.356) 9.079 7.667 ( -5.206 2.947 -11.327) 12.810 8.036 ( 3.023 4.393 2.114) 5.736 8.358 ( -4.912 -5.470 5.833) 9.385 8.855 ( 12.045 4.085 0.496) 12.729 9.641 ( -5.565 3.177 -1.926) 6.691 10.265 ( -2.083 -1.172 -1.422) 2.781 10.628 ( -5.072 -2.432 -2.760) 6.266 11.197 ( -6.431 10.329 2.663) 12.455 20.367 ( -0.096 -0.328 0.249) 0.423 20.400 ( -1.115 -1.291 -0.497) 1.777 20.481 ( 1.085 2.228 -1.044) 2.689 20.559 ( -1.667 0.410 0.862) 1.921 24.814 ( 0.907 -0.557 0.223) 1.088 25.484 ( -0.152 0.001 -0.072) 0.169 32.450 ( -0.109 -0.770 0.070) 0.781 32.547 ( -1.027 0.892 -0.155) 1.369 42.844 ( -3.170 1.434 -1.085) 3.644 43.201 ( 13.444 -3.054 8.079) 15.979 43.672 ( 6.261 -14.049 -5.888) 16.469 46.180 ( -13.094 13.275 -2.127) 18.768 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 5.351 5.118 -3.463) 8.175 3.239 ( 8.378 -14.586 -10.841) 20.012 3.781 ( -0.589 0.951 0.857) 1.410 3.946 ( -3.956 -12.316 -9.198) 15.873 4.068 ( 1.317 0.202 8.999) 9.097 4.410 ( 5.396 -15.483 2.792) 16.633 4.625 ( 8.863 -1.233 3.047) 9.453 5.220 ( -10.735 -2.681 0.261) 11.068 6.041 ( -2.254 4.144 1.925) 5.095 6.107 ( 1.053 4.087 -5.378) 6.836 6.170 ( 8.309 -0.744 1.088) 8.413 7.121 ( -13.239 -3.707 2.361) 13.949 7.396 ( -3.499 -12.527 -5.837) 14.256 7.593 ( 4.236 -1.064 0.119) 4.369 8.171 ( -3.131 8.055 4.503) 9.745 8.271 ( 0.919 -7.036 5.540) 9.003 9.004 ( 0.157 5.845 -5.249) 7.858 9.568 ( -3.162 1.013 1.831) 3.792 10.224 ( 0.803 -2.556 0.126) 2.682 10.658 ( 6.583 4.565 0.017) 8.011 11.202 ( -6.834 11.988 0.644) 13.814 20.374 ( -0.418 -0.649 0.125) 0.782 20.389 ( 1.467 0.998 0.884) 1.982 20.507 ( 0.550 1.328 -1.252) 1.906 20.538 ( -1.327 0.327 0.465) 1.444 24.820 ( 0.690 -0.685 -0.595) 1.139 25.482 ( -0.061 0.044 0.123) 0.144 32.448 ( 0.499 -0.276 -0.006) 0.570 32.543 ( -0.551 1.057 0.340) 1.239 42.723 ( -10.978 -1.322 3.279) 11.533 43.427 ( 11.936 -2.003 2.758) 12.413 43.577 ( 6.860 -19.445 -9.875) 22.862 46.142 ( -9.902 16.498 5.840) 20.108 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 6.535 -4.495 -4.820) 9.282 3.005 ( -7.373 -9.840 -12.820) 17.763 3.496 ( -13.884 -10.200 -9.257) 19.557 3.860 ( 5.260 2.069 -4.720) 7.364 4.257 ( 3.789 -8.382 2.028) 9.420 4.354 ( 0.311 -1.240 2.116) 2.473 4.773 ( -9.101 -8.436 1.864) 12.549 4.946 ( 6.617 -6.205 5.342) 10.527 5.975 ( -7.846 3.465 -1.691) 8.742 6.184 ( 4.975 0.533 0.050) 5.004 6.318 ( 10.149 -5.168 -2.579) 11.678 6.827 ( -14.880 -4.171 2.565) 15.665 7.232 ( -5.365 -3.622 3.145) 7.197 7.627 ( 3.229 -6.820 -0.768) 7.585 8.089 ( -2.851 -13.468 5.022) 14.654 8.283 ( -2.063 1.481 2.466) 3.540 8.941 ( -7.902 6.388 -11.259) 15.167 9.571 ( -0.426 -1.802 5.586) 5.885 10.254 ( 4.478 -2.028 2.089) 5.341 10.910 ( 12.764 10.852 3.694) 17.156 11.206 ( -7.800 14.756 -1.667) 16.773 20.361 ( -1.892 0.925 1.147) 2.398 20.436 ( 0.865 2.159 1.055) 2.554 20.526 ( 2.606 -0.398 -1.858) 3.225 20.531 ( 0.155 0.267 0.469) 0.561 24.818 ( 0.473 -0.747 -1.460) 1.707 25.484 ( 0.037 0.125 0.291) 0.319 32.461 ( 0.862 0.547 -0.104) 1.026 32.552 ( -0.070 1.147 0.899) 1.459 42.511 ( -14.111 -1.441 4.625) 14.919 43.432 ( 5.886 -18.390 -14.798) 24.328 43.574 ( 8.035 -5.837 2.392) 10.216 46.213 ( -5.992 14.423 13.646) 20.739 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -13.266 -18.157 -19.684) 29.885 2.833 ( -11.789 -3.662 -3.140) 12.738 3.409 ( 12.194 -0.401 -8.614) 14.935 3.826 ( -34.663 -16.750 -0.180) 38.499 3.922 ( -0.944 4.724 -2.699) 5.522 4.335 ( 3.862 -11.457 -2.727) 12.394 4.655 ( 10.742 -9.451 3.636) 14.763 5.170 ( 9.788 2.876 -3.439) 10.766 5.846 ( -7.130 -0.956 -3.646) 8.065 6.244 ( 4.055 -8.320 6.403) 11.254 6.362 ( 3.908 -4.978 -4.953) 8.036 6.628 ( -7.901 -3.367 8.404) 12.016 7.185 ( -1.498 0.688 5.988) 6.211 7.541 ( -0.558 -13.603 -1.183) 13.666 7.919 ( -2.978 -12.631 3.402) 13.415 8.270 ( -1.332 0.208 2.351) 2.711 8.780 ( -9.217 3.811 -13.517) 16.798 9.539 ( -2.430 -5.294 5.679) 8.136 10.331 ( 4.587 -1.229 1.313) 4.927 11.195 ( -1.310 6.223 -3.721) 7.368 11.325 ( 7.938 25.092 9.464) 27.968 20.333 ( -4.190 2.538 1.526) 5.131 20.469 ( 1.155 1.505 -0.350) 1.929 20.527 ( -0.677 0.799 0.713) 1.266 20.596 ( 5.716 -1.216 -0.698) 5.886 24.808 ( 0.321 -0.666 -2.258) 2.376 25.488 ( 0.094 0.213 0.331) 0.405 32.485 ( 0.931 1.436 -0.257) 1.731 32.572 ( 0.280 1.270 1.404) 1.914 42.296 ( -12.290 -1.060 5.369) 13.453 43.272 ( 4.970 -17.129 -15.605) 23.698 43.608 ( 3.132 -7.251 -0.383) 7.908 46.341 ( -3.367 8.987 21.171) 23.245 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -13.626 -19.951 -22.141) 32.770 2.695 ( -0.859 4.202 -1.999) 4.732 3.006 ( -37.535 -19.494 2.796) 42.387 3.533 ( 9.478 -13.533 -8.953) 18.792 3.883 ( -5.230 2.584 -1.186) 5.953 4.308 ( 11.727 -17.646 -6.459) 22.150 4.756 ( 9.920 -11.646 -2.706) 15.536 5.281 ( 3.015 6.922 -3.087) 8.157 5.670 ( -4.623 -8.576 -6.913) 11.946 6.158 ( -12.951 -4.850 1.711) 13.935 6.360 ( 5.040 -3.799 2.523) 6.798 6.577 ( 2.152 -7.937 9.054) 12.231 7.189 ( -0.398 -7.456 7.240) 10.400 7.455 ( 4.093 -3.009 -0.186) 5.084 7.798 ( -1.410 -7.963 2.321) 8.413 8.270 ( 0.715 -1.854 2.768) 3.408 8.567 ( -10.027 0.002 -13.841) 17.091 9.470 ( -1.632 -6.627 5.579) 8.815 10.379 ( 1.748 -0.345 -0.896) 1.994 11.205 ( -2.848 11.021 -7.478) 13.619 11.764 ( 7.461 21.261 16.709) 28.052 20.298 ( -3.565 3.279 1.102) 4.968 20.503 ( 1.199 2.005 -1.113) 2.588 20.531 ( -0.007 0.291 1.396) 1.426 20.663 ( 3.473 -1.619 -0.111) 3.833 24.793 ( 0.187 -0.439 -2.932) 2.971 25.494 ( 0.075 0.269 0.252) 0.376 32.516 ( 0.716 2.135 -0.373) 2.282 32.598 ( 0.311 1.446 1.656) 2.220 42.155 ( -6.349 -0.732 5.834) 8.653 43.101 ( 2.633 -15.928 -15.052) 22.073 43.552 ( 0.509 -7.281 -3.403) 8.053 46.481 ( -2.134 3.187 28.273) 28.532 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 1.961 -21.650 -18.783) 28.729 2.293 ( -19.184 -26.947 1.930) 33.135 2.864 ( 12.134 8.865 0.880) 15.053 3.328 ( -8.821 -14.631 -7.561) 18.682 3.836 ( 1.960 -6.386 -3.375) 7.484 4.253 ( 7.190 -24.085 -4.170) 25.479 4.659 ( 5.207 -28.445 -11.030) 30.950 5.443 ( 4.075 5.834 3.466) 7.915 5.535 ( 3.533 -0.184 -4.322) 5.585 5.820 ( -19.264 -2.197 -0.393) 19.393 6.440 ( 3.439 -1.515 1.335) 3.988 6.573 ( 1.069 -5.548 5.465) 7.861 7.169 ( 3.843 -5.264 3.804) 7.547 7.494 ( -4.466 4.106 -2.616) 6.606 7.803 ( 12.542 -11.853 7.549) 18.836 8.268 ( -4.416 -1.657 -4.008) 6.190 8.317 ( -5.530 -3.943 -5.365) 8.655 9.424 ( 0.529 -6.219 4.977) 7.983 10.373 ( -1.303 0.184 -1.857) 2.276 11.247 ( 0.818 9.453 -9.227) 13.235 12.130 ( 0.064 21.697 19.262) 29.014 20.305 ( 0.082 3.796 0.954) 3.915 20.530 ( -0.203 2.389 -0.350) 2.423 20.546 ( 0.873 -0.064 0.498) 1.007 20.666 ( -1.083 -2.193 0.046) 2.446 24.775 ( -0.010 -0.233 -3.320) 3.328 25.498 ( -0.004 0.272 0.152) 0.311 32.544 ( 0.106 2.430 -0.278) 2.448 32.625 ( 0.008 1.598 1.487) 2.183 42.142 ( 2.298 -0.611 5.990) 6.445 42.880 ( -2.555 -15.355 -12.694) 20.085 43.474 ( 1.359 -6.615 -6.010) 9.040 46.625 ( -0.843 0.129 32.385) 32.396 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 9.551 -24.487 -14.778) 30.153 1.998 ( 18.531 -26.599 4.517) 32.730 3.020 ( -7.225 -6.047 -2.383) 9.718 3.239 ( 22.162 2.032 -1.403) 22.300 3.715 ( -4.563 -11.913 -10.137) 16.294 4.071 ( 12.563 -36.454 2.827) 38.662 4.328 ( -3.746 -26.581 -10.267) 28.741 5.419 ( -6.934 2.743 3.236) 8.129 5.568 ( -8.831 4.576 -3.417) 10.517 5.817 ( 14.504 5.969 7.756) 17.497 6.357 ( -8.103 -9.000 6.871) 13.924 6.645 ( 8.307 2.985 -8.647) 12.357 7.251 ( 5.447 0.709 0.523) 5.518 7.397 ( -2.113 -0.864 -7.193) 7.547 7.894 ( -3.323 -15.323 9.142) 18.150 8.090 ( 4.477 0.062 -4.348) 6.241 8.306 ( 1.468 -3.056 1.179) 3.590 9.414 ( 2.299 -5.302 3.247) 6.629 10.337 ( -1.750 -0.148 -0.297) 1.781 11.286 ( -1.132 4.166 -5.072) 6.661 12.389 ( -5.241 24.888 10.698) 27.592 20.386 ( 3.785 3.908 1.548) 5.656 20.528 ( -3.261 -1.282 -1.670) 3.881 20.545 ( -1.086 1.224 1.579) 2.274 20.613 ( -0.974 -0.381 -0.327) 1.096 24.755 ( -0.065 -0.332 -2.868) 2.888 25.500 ( -0.098 0.234 0.103) 0.274 32.560 ( -0.983 2.294 0.044) 2.496 32.643 ( -0.415 1.581 0.901) 1.866 42.277 ( 9.965 -0.641 5.525) 11.412 42.604 ( -5.306 -13.430 -9.775) 17.437 43.402 ( 1.171 -7.879 -3.530) 8.713 46.792 ( 0.861 2.369 26.698) 26.817 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -0.000 0.000 27.488) 27.488 0.872 ( -0.000 0.000 27.488) 27.488 1.817 ( -0.000 0.000 57.690) 57.690 2.984 ( -0.000 0.000 2.645) 2.645 2.984 ( -0.000 0.000 2.645) 2.645 3.805 ( -0.000 0.000 1.726) 1.726 5.603 ( 0.000 -0.000 -4.016) 4.016 5.603 ( 0.000 -0.000 -4.016) 4.016 5.617 ( 0.000 -0.000 -4.738) 4.738 5.800 ( -0.000 0.000 0.105) 0.105 6.148 ( 0.000 -0.000 -7.393) 7.393 6.148 ( 0.000 -0.000 -7.393) 7.393 7.234 ( -0.000 0.000 2.611) 2.611 7.234 ( -0.000 0.000 2.611) 2.611 7.832 ( 0.000 -0.000 -19.367) 19.367 8.174 ( -0.000 0.000 5.884) 5.884 8.174 ( -0.000 0.000 5.884) 5.884 9.353 ( -0.000 0.000 2.567) 2.567 10.291 ( 0.000 -0.000 -1.677) 1.677 10.291 ( 0.000 -0.000 -1.677) 1.677 13.047 ( -0.000 0.000 3.222) 3.222 20.492 ( 0.000 0.000 0.257) 0.257 20.492 ( -0.000 0.000 0.257) 0.257 20.587 ( 0.000 -0.000 -0.491) 0.491 20.587 ( 0.000 -0.000 -0.491) 0.491 25.260 ( 0.000 -0.000 -2.589) 2.589 25.555 ( -0.000 0.000 2.272) 2.272 32.663 ( 0.000 -0.000 -0.000) 0.000 32.698 ( -0.000 0.000 0.047) 0.047 42.272 ( -0.000 0.000 3.462) 3.462 42.272 ( -0.000 0.000 3.462) 3.462 43.075 ( 0.000 -0.000 -3.830) 3.830 43.075 ( 0.000 -0.000 -3.830) 3.830 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 15.349 37.934 18.512) 44.914 1.622 ( 39.109 10.276 23.032) 46.536 2.302 ( 25.784 3.627 46.809) 53.563 2.957 ( 0.126 2.718 -0.607) 2.788 3.275 ( 19.040 5.910 7.390) 21.262 3.697 ( -8.246 -5.325 0.778) 9.846 5.010 ( -27.390 -7.667 18.411) 33.881 5.509 ( -8.146 -6.523 -5.467) 11.781 5.631 ( 3.494 -1.884 -0.785) 4.046 5.771 ( -7.145 6.185 -14.460) 17.274 6.042 ( -7.915 5.213 -6.392) 11.432 6.471 ( 25.107 -5.622 -3.700) 25.993 7.123 ( -5.784 -4.379 -0.036) 7.254 7.296 ( 2.351 -3.385 -0.658) 4.174 7.734 ( 1.459 5.231 -12.017) 13.188 8.155 ( -1.992 -2.788 6.515) 7.362 8.314 ( 4.226 8.825 7.017) 12.041 9.190 ( -4.352 -2.886 -0.814) 5.285 10.248 ( -1.639 -0.293 -2.546) 3.042 10.878 ( 27.406 15.368 -11.631) 33.505 12.955 ( -7.094 -4.670 -0.234) 8.497 20.452 ( -1.552 -1.544 -0.473) 2.240 20.507 ( -0.816 0.504 1.129) 1.481 20.554 ( -1.433 -0.697 -1.450) 2.155 20.608 ( 1.108 0.338 -0.005) 1.158 25.096 ( -9.851 -5.658 4.762) 12.318 25.531 ( -1.609 -0.927 1.859) 2.627 32.629 ( -2.521 -1.296 -0.107) 2.836 32.677 ( -1.284 -0.838 -0.102) 1.537 42.269 ( 3.995 0.200 2.378) 4.654 42.420 ( 4.940 4.807 7.281) 10.026 42.966 ( -1.110 -3.378 -7.597) 8.388 44.258 ( 72.923 44.718 -45.518) 96.899 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 17.380 26.185 10.831) 33.242 2.319 ( 12.993 14.701 36.928) 41.816 2.989 ( 10.910 -2.632 2.521) 11.503 3.250 ( 29.862 17.042 17.708) 38.675 3.473 ( 14.163 -14.323 2.739) 20.328 3.774 ( 13.002 9.969 7.563) 18.045 4.765 ( -15.378 7.772 15.506) 23.180 5.281 ( -6.338 -4.449 -5.721) 9.628 5.539 ( -6.562 -2.474 -16.285) 17.731 5.750 ( 3.185 6.036 -0.886) 6.882 5.903 ( -8.218 0.440 -3.235) 8.843 6.779 ( 19.134 -6.245 -0.540) 20.134 7.004 ( 1.287 -7.284 -5.094) 8.981 7.272 ( -0.557 -2.090 -2.846) 3.575 7.830 ( 4.918 11.465 -8.154) 14.903 8.133 ( 0.179 -4.993 6.958) 8.566 8.529 ( 3.416 13.174 7.453) 15.517 9.173 ( 3.693 0.904 -4.321) 5.755 10.203 ( -1.402 -0.823 -2.806) 3.243 11.161 ( 3.507 2.179 -3.721) 5.559 12.746 ( -9.408 -6.446 -5.167) 12.520 20.406 ( -1.781 -1.710 -0.797) 2.594 20.495 ( -1.168 0.515 0.405) 1.339 20.514 ( -1.830 -0.339 -1.541) 2.417 20.632 ( 1.392 -0.072 0.306) 1.427 24.953 ( -5.518 -3.143 5.594) 8.462 25.509 ( -1.020 -0.585 0.694) 1.365 32.569 ( -2.698 -1.267 -0.690) 3.059 32.642 ( -1.447 -1.044 -0.523) 1.859 42.419 ( 10.428 1.073 4.250) 11.312 42.593 ( 3.718 5.300 10.109) 12.005 42.900 ( 1.396 -0.371 -10.373) 10.473 45.349 ( 44.003 27.871 -46.822) 70.038 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -3.543 13.350 1.558) 13.899 2.835 ( 11.735 11.592 30.907) 35.033 3.167 ( 9.592 -0.566 10.379) 14.144 3.389 ( 8.169 -8.548 6.204) 13.352 3.889 ( -0.804 2.912 11.763) 12.145 4.262 ( 23.925 8.668 2.306) 25.551 4.775 ( 3.193 7.235 7.370) 10.810 5.140 ( -3.151 -3.485 -12.754) 13.592 5.442 ( 4.345 10.304 -4.236) 11.958 5.791 ( -3.264 4.016 -5.189) 7.329 5.884 ( 6.034 2.097 3.955) 7.513 6.884 ( 3.137 -4.788 -4.619) 7.356 7.077 ( 14.497 -4.655 -3.929) 15.724 7.221 ( -0.405 -0.183 -4.741) 4.762 8.014 ( 5.354 12.827 -2.883) 14.195 8.140 ( 4.661 -8.538 5.477) 11.163 8.737 ( 0.754 13.989 6.218) 15.328 9.253 ( 6.128 2.548 -5.507) 8.624 10.161 ( -0.403 -1.767 -1.892) 2.620 11.093 ( -7.478 -3.729 0.065) 8.356 12.465 ( -11.984 -7.691 -6.461) 15.637 20.351 ( -2.173 -1.896 -0.403) 2.912 20.465 ( -2.632 -0.248 -1.407) 2.994 20.493 ( 0.059 1.216 -0.593) 1.355 20.656 ( 1.539 -0.466 0.376) 1.651 24.888 ( -2.863 -1.607 4.184) 5.318 25.492 ( -0.685 -0.394 0.016) 0.790 32.511 ( -2.362 -1.048 -0.674) 2.671 32.607 ( -1.093 -0.895 -0.908) 1.680 42.659 ( 13.271 -0.518 7.222) 15.117 42.695 ( 1.053 -0.609 1.232) 1.731 42.944 ( 3.509 8.725 -1.010) 9.458 45.911 ( 24.877 16.503 -34.892) 45.920 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -10.585 8.048 -3.520) 13.756 3.126 ( -8.709 2.820 17.104) 19.400 3.264 ( 6.352 -9.865 12.402) 17.073 3.589 ( 15.631 -3.720 10.660) 19.282 3.968 ( 2.070 7.149 9.070) 11.733 4.427 ( -1.846 3.810 3.839) 5.715 4.693 ( -11.927 -7.669 -7.704) 16.138 5.323 ( 16.879 5.982 2.178) 18.040 5.713 ( 10.202 10.529 -2.517) 14.875 5.858 ( 6.958 7.757 -5.763) 11.908 6.013 ( 4.493 1.359 5.156) 6.973 6.863 ( 0.171 -0.827 -3.066) 3.180 7.222 ( 7.685 7.378 -9.433) 14.230 7.292 ( 12.343 -2.753 -2.949) 12.985 8.128 ( 2.283 -8.515 10.805) 13.946 8.240 ( 8.381 6.150 -4.655) 11.390 8.870 ( -3.399 12.092 3.013) 12.917 9.361 ( 7.186 3.268 -6.576) 10.274 10.147 ( 1.508 -2.053 0.253) 2.559 10.887 ( -11.096 -4.946 -0.302) 12.152 12.147 ( -12.401 -7.528 -6.070) 15.726 20.299 ( -1.670 -1.474 -0.404) 2.264 20.409 ( -2.866 -0.490 -0.328) 2.925 20.514 ( 1.122 1.812 -1.395) 2.547 20.675 ( 1.090 -0.715 0.345) 1.348 24.857 ( -1.756 -0.970 2.921) 3.543 25.480 ( -0.262 -0.155 -0.236) 0.385 32.466 ( -1.643 -0.733 -0.230) 1.813 32.582 ( -0.449 -0.473 -1.057) 1.242 42.653 ( 0.564 -3.981 -9.203) 10.043 42.914 ( 11.068 -1.021 11.754) 16.178 43.127 ( 2.883 11.267 8.298) 14.287 46.215 ( 15.377 10.503 -25.334) 31.442 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -6.502 6.179 -2.914) 9.431 2.874 ( -14.956 -8.851 5.132) 18.121 3.367 ( -2.624 1.849 10.762) 11.231 3.809 ( 7.746 -2.308 7.242) 10.852 4.158 ( 9.194 -1.610 10.323) 13.917 4.311 ( -11.807 -6.016 -8.648) 15.823 4.557 ( 3.280 2.269 12.904) 13.507 5.597 ( 6.425 5.249 2.382) 8.632 5.817 ( 1.247 -1.542 -5.915) 6.238 5.992 ( 4.629 0.669 -4.292) 6.348 6.161 ( 4.541 8.594 5.710) 11.273 6.870 ( -1.523 7.110 1.277) 7.382 7.317 ( 5.112 -2.812 -6.893) 9.030 7.555 ( 14.259 7.742 -6.813) 17.597 8.140 ( 6.555 -9.590 5.522) 12.862 8.394 ( 5.228 3.699 -0.930) 6.472 8.864 ( -8.968 5.779 -0.349) 10.674 9.509 ( 9.837 4.773 -6.218) 12.579 10.164 ( 0.930 -1.103 2.190) 2.623 10.649 ( -10.466 -3.782 -0.685) 11.149 11.871 ( -8.435 -5.179 -6.315) 11.741 20.261 ( -1.367 -0.659 -0.980) 1.807 20.367 ( -1.302 -0.501 0.867) 1.643 20.548 ( 1.575 1.827 -1.423) 2.800 20.681 ( 0.290 -0.695 0.348) 0.830 24.835 ( -1.381 -0.761 1.977) 2.528 25.478 ( 0.107 0.054 -0.190) 0.224 32.440 ( -0.708 -0.392 0.264) 0.851 32.572 ( 0.172 0.019 -0.966) 0.981 42.558 ( -0.461 -4.330 -11.800) 12.577 43.115 ( 5.602 -0.700 14.034) 15.127 43.316 ( 2.156 7.885 11.018) 13.720 46.402 ( 10.728 7.182 -19.086) 23.042 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -4.473 6.084 -1.922) 7.793 2.627 ( -5.724 -6.511 2.206) 8.946 3.271 ( -12.541 -2.714 5.405) 13.923 3.886 ( -5.968 3.083 2.187) 7.064 4.055 ( -2.770 -5.650 1.613) 6.496 4.345 ( 11.584 -6.009 5.087) 14.006 4.763 ( 4.797 4.940 17.741) 19.031 5.529 ( -3.823 -15.618 -5.539) 17.007 5.833 ( -2.213 5.587 -3.522) 6.965 6.045 ( 5.448 0.031 -0.532) 5.474 6.325 ( -0.253 8.707 6.274) 10.735 6.959 ( -0.710 10.916 3.695) 11.546 7.282 ( 0.688 -6.379 -7.320) 9.734 7.727 ( 4.169 3.245 -3.366) 6.264 8.220 ( 5.761 -3.977 -0.203) 7.003 8.458 ( 1.530 -3.588 -1.137) 4.063 8.684 ( -11.755 -2.465 -2.623) 12.294 9.666 ( 4.136 3.712 -4.467) 7.130 10.187 ( 1.257 2.927 2.796) 4.239 10.526 ( -0.064 0.318 -0.101) 0.340 11.714 ( -1.878 -1.499 -7.786) 8.148 20.230 ( -1.036 0.061 -1.296) 1.660 20.370 ( 1.124 0.021 1.452) 1.836 20.578 ( 0.854 0.879 -1.197) 1.713 20.680 ( 0.054 0.018 0.402) 0.406 24.815 ( -1.271 -0.710 1.413) 2.029 25.482 ( 0.283 0.155 -0.076) 0.332 32.437 ( 0.322 -0.001 0.614) 0.693 32.576 ( 0.580 0.374 -0.858) 1.101 42.438 ( -1.322 -4.321 -11.924) 12.752 43.220 ( -1.576 -0.284 14.858) 14.944 43.458 ( 1.410 3.056 11.606) 12.084 46.533 ( 8.423 5.302 -15.782) 18.658 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -9.913 2.571 -1.755) 10.391 2.593 ( 5.103 -5.795 3.787) 8.600 3.016 ( -15.509 0.010 -0.203) 15.511 3.712 ( -14.230 2.910 2.418) 14.724 4.063 ( 0.167 -4.944 6.196) 7.929 4.492 ( 10.163 -8.133 5.396) 14.091 4.950 ( 2.975 3.751 13.163) 14.007 5.271 ( -4.445 -13.593 -3.776) 14.792 5.764 ( -4.094 -1.259 -5.147) 6.696 6.134 ( -0.484 2.905 2.799) 4.063 6.373 ( -4.162 3.839 6.081) 8.309 7.025 ( -4.031 1.736 -3.078) 5.361 7.204 ( 2.404 -0.797 -3.164) 4.053 7.755 ( -5.587 2.467 -3.892) 7.242 8.115 ( -10.469 -9.251 7.083) 15.664 8.372 ( -1.486 -5.722 -0.540) 5.936 8.500 ( -3.125 -4.626 -8.703) 10.340 9.658 ( -3.107 -0.004 -2.865) 4.226 10.281 ( 1.366 4.494 3.067) 5.610 10.673 ( 12.425 5.942 0.850) 13.799 11.703 ( 5.484 2.935 -10.679) 12.358 20.221 ( 0.408 0.714 -1.190) 1.447 20.413 ( 2.465 0.718 1.312) 2.883 20.577 ( -0.389 -0.414 -0.990) 1.141 20.690 ( 0.072 0.861 0.446) 0.972 24.794 ( -1.178 -0.669 1.304) 1.881 25.488 ( 0.293 0.163 -0.051) 0.339 32.457 ( 1.306 0.449 0.785) 1.589 32.588 ( 0.815 0.553 -0.975) 1.386 42.315 ( -1.487 -3.980 -10.655) 11.471 43.207 ( -7.811 -1.611 14.877) 16.880 43.537 ( -0.480 -0.458 10.692) 10.712 46.629 ( 6.977 4.247 -15.577) 17.589 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -15.497 -7.862 6.131) 18.427 2.642 ( -6.258 7.486 -2.973) 10.200 2.786 ( -5.249 -6.191 1.247) 8.212 3.529 ( -14.632 4.405 5.660) 16.295 3.965 ( -4.337 -10.565 4.528) 12.285 4.528 ( -0.115 -11.879 4.787) 12.808 4.977 ( -6.625 -9.172 7.504) 13.577 5.231 ( 10.943 1.395 0.121) 11.032 5.646 ( -6.016 -2.204 -1.492) 6.579 6.017 ( -17.595 2.418 2.923) 17.999 6.392 ( 1.693 -0.509 5.960) 6.217 6.823 ( -9.805 -5.533 -10.854) 15.639 7.292 ( 1.140 3.729 -2.680) 4.732 7.486 ( -11.672 -5.761 0.653) 13.033 8.004 ( -0.657 -9.876 2.435) 10.193 8.282 ( -4.301 -1.006 2.537) 5.093 8.386 ( -3.464 -0.081 -4.411) 5.610 9.562 ( -4.717 -2.513 -3.450) 6.361 10.342 ( 0.347 2.702 2.839) 3.935 10.975 ( 12.734 6.222 5.138) 15.075 11.850 ( 13.474 7.956 -15.524) 22.042 20.247 ( 2.153 1.353 -1.067) 2.758 20.473 ( 2.698 1.163 0.971) 3.095 20.558 ( -0.382 -0.727 -0.909) 1.225 20.693 ( -1.073 0.578 0.383) 1.278 24.777 ( -0.943 -0.539 1.784) 2.088 25.494 ( 0.246 0.141 -0.115) 0.306 32.496 ( 1.992 0.862 0.718) 2.286 32.604 ( 1.062 0.673 -1.304) 1.812 42.209 ( -0.779 -3.304 -8.549) 9.198 43.085 ( -12.220 -3.775 14.255) 19.152 43.541 ( -3.020 -2.803 8.676) 9.604 46.682 ( 5.059 3.352 -19.760) 20.671 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 17.098 18.064 19.139) 31.384 1.778 ( -5.786 32.487 26.374) 42.243 2.583 ( -5.938 23.692 41.430) 48.094 3.128 ( 11.059 10.888 4.901) 16.275 3.164 ( -12.076 14.231 3.593) 19.007 3.746 ( -1.666 -3.896 1.977) 4.675 5.024 ( 6.244 -29.873 14.159) 33.643 5.450 ( -4.928 -7.249 -8.384) 12.129 5.601 ( 4.145 -0.327 -1.922) 4.580 5.868 ( 0.883 5.521 -9.026) 10.617 6.000 ( 14.899 -5.409 -7.112) 17.373 6.434 ( -19.381 20.126 -4.916) 28.369 7.212 ( 4.436 -0.076 -0.556) 4.471 7.268 ( -10.818 -3.128 0.367) 11.267 7.569 ( 5.104 -3.868 -15.338) 16.621 8.220 ( -2.464 0.490 5.835) 6.353 8.348 ( 6.464 8.078 7.621) 12.850 9.184 ( -0.265 -7.221 0.156) 7.228 10.317 ( 0.734 2.403 -1.614) 2.986 10.787 ( -0.597 33.815 -12.778) 36.154 12.880 ( -0.447 -20.694 3.118) 20.932 20.442 ( -0.410 -3.356 -0.056) 3.381 20.531 ( 0.587 2.094 0.454) 2.221 20.550 ( 0.217 -1.549 -0.934) 1.822 20.600 ( -0.271 0.352 -0.308) 0.540 25.117 ( 0.024 -9.458 2.930) 9.902 25.541 ( 0.001 -2.230 2.062) 3.037 32.628 ( 0.133 -2.951 -0.096) 2.956 32.676 ( -0.090 -1.725 -0.003) 1.728 42.187 ( -1.085 -5.551 2.139) 6.047 42.531 ( 0.957 14.923 8.641) 17.271 43.189 ( -4.201 9.240 -2.541) 10.464 43.822 ( 4.115 66.525 -41.520) 78.526 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 37.095 17.537 15.372) 43.817 2.259 ( 15.463 28.166 21.395) 38.603 2.898 ( -1.245 14.156 15.894) 21.321 3.150 ( 1.236 4.123 17.375) 17.901 3.526 ( -3.236 17.537 9.053) 19.999 3.715 ( 8.270 9.960 3.047) 13.300 4.950 ( 0.286 -12.953 12.499) 18.003 5.275 ( -2.773 -5.384 -7.360) 9.531 5.574 ( -6.174 3.488 -11.962) 13.906 5.785 ( -4.093 1.794 -1.588) 4.743 6.225 ( -12.749 12.283 -3.161) 17.983 6.313 ( 17.735 -2.295 -4.669) 18.482 7.007 ( -9.007 -6.594 -2.075) 11.354 7.252 ( 0.974 -0.158 -0.397) 1.064 7.659 ( 12.397 1.877 -13.879) 18.704 8.194 ( -4.071 -0.383 6.385) 7.582 8.616 ( 6.972 12.454 7.237) 16.003 9.132 ( 0.350 0.116 -1.900) 1.935 10.270 ( -5.686 3.427 -2.578) 7.122 11.105 ( 7.919 15.410 -9.110) 19.575 12.644 ( -0.868 -25.364 0.101) 25.379 20.401 ( -0.394 -2.840 -0.692) 2.949 20.516 ( -1.067 -1.383 -1.653) 2.405 20.547 ( -1.878 1.945 1.075) 2.910 20.608 ( 0.966 -0.304 -0.042) 1.014 25.017 ( -3.670 -6.003 4.355) 8.274 25.522 ( -0.871 -1.460 1.202) 2.082 32.585 ( -1.522 -2.495 -0.574) 2.979 32.647 ( -0.999 -1.986 -0.186) 2.230 42.212 ( 8.781 -5.692 2.849) 10.845 42.751 ( -1.342 17.186 11.035) 20.468 43.048 ( -13.044 15.043 -7.029) 21.115 44.677 ( 42.334 39.813 -44.274) 73.057 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 6.103 25.922 11.417) 28.974 2.972 ( 6.399 15.525 27.145) 31.919 3.045 ( 7.839 -1.793 7.985) 11.332 3.286 ( 10.034 4.974 -2.804) 11.545 3.753 ( 15.211 10.366 17.351) 25.296 4.093 ( 10.519 11.604 9.860) 18.507 4.794 ( -5.936 -12.031 -1.498) 13.499 5.205 ( -9.565 0.692 -10.353) 14.112 5.455 ( 3.617 12.306 -9.065) 15.707 5.818 ( 2.317 1.070 8.725) 9.091 6.070 ( -15.070 15.547 -3.033) 21.864 6.617 ( 21.223 -7.213 -4.320) 22.828 6.874 ( -0.085 -0.325 -3.275) 3.292 7.246 ( -1.287 1.322 -1.477) 2.363 7.840 ( 13.751 1.742 -11.423) 17.961 8.155 ( -3.363 -0.698 6.993) 7.791 8.861 ( 4.142 11.335 4.973) 13.052 9.182 ( 3.417 4.785 -2.433) 6.363 10.195 ( -4.659 2.003 -2.091) 5.485 11.183 ( -4.287 2.106 -2.663) 5.469 12.376 ( -0.786 -24.207 -4.759) 24.683 20.364 ( -0.980 -1.587 -1.361) 2.309 20.479 ( -0.859 -0.750 -2.026) 2.325 20.529 ( -2.536 1.362 1.232) 3.131 20.620 ( 1.361 -1.331 0.409) 1.947 24.939 ( -2.974 -2.983 4.003) 5.811 25.500 ( -0.816 -0.889 0.338) 1.253 32.532 ( -1.903 -1.612 -0.813) 2.624 32.608 ( -1.045 -1.852 -0.507) 2.186 42.379 ( 14.656 -6.352 4.340) 16.553 42.817 ( -8.944 11.567 -0.852) 14.646 43.118 ( -1.359 21.259 6.120) 22.165 45.390 ( 33.430 19.373 -38.094) 54.258 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -23.481 30.301 -5.315) 38.701 3.176 ( 8.987 -1.236 15.893) 18.300 3.228 ( 7.907 -3.272 9.875) 13.067 3.538 ( -0.198 10.753 20.821) 23.435 4.091 ( -0.827 2.666 13.925) 14.202 4.441 ( 10.097 6.250 -0.077) 11.875 4.685 ( 10.827 -12.173 -2.763) 16.524 4.915 ( 0.156 -4.890 -12.738) 13.646 5.750 ( 10.877 12.689 -2.134) 16.848 5.894 ( -4.013 9.814 1.628) 10.727 6.046 ( -2.245 11.219 2.757) 11.769 6.805 ( 10.310 -1.324 -0.009) 10.394 6.974 ( 9.894 1.651 -5.117) 11.261 7.258 ( 0.790 8.940 -4.608) 10.089 7.976 ( 7.913 -8.540 -0.933) 11.680 8.184 ( 3.420 4.336 1.529) 5.730 9.022 ( 1.157 9.195 1.557) 9.398 9.277 ( 3.195 4.965 -4.055) 7.163 10.145 ( -2.036 1.071 0.383) 2.332 11.029 ( -10.657 -3.179 -0.757) 11.147 12.098 ( -2.505 -21.250 -6.523) 22.369 20.323 ( -1.889 -0.324 -1.183) 2.253 20.445 ( -1.625 -0.364 -1.903) 2.529 20.513 ( -0.917 0.877 0.856) 1.530 20.634 ( 1.969 -2.093 0.501) 2.917 24.894 ( -2.110 -1.551 3.051) 4.021 25.483 ( -0.452 -0.415 -0.125) 0.627 32.485 ( -1.703 -0.892 -0.478) 1.981 32.575 ( -0.461 -1.340 -0.796) 1.625 42.553 ( 7.857 -4.323 -1.991) 9.186 42.821 ( 1.048 8.287 2.951) 8.859 43.344 ( -2.356 19.564 12.213) 23.183 45.824 ( 24.162 8.242 -29.878) 39.299 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -22.811 26.007 -6.233) 35.150 3.130 ( -15.333 -2.874 9.945) 18.500 3.455 ( 7.998 6.140 8.238) 13.020 3.742 ( 2.855 2.129 15.471) 15.875 4.077 ( -1.108 -3.118 4.186) 5.336 4.417 ( -11.057 -8.107 -4.440) 14.412 4.593 ( 2.985 3.827 9.523) 10.689 5.261 ( 26.714 -7.844 -2.725) 27.975 5.875 ( 0.548 5.506 -6.414) 8.471 5.951 ( -1.479 7.294 -2.448) 7.834 6.205 ( 3.996 10.232 7.292) 13.185 6.990 ( 3.902 9.975 6.177) 12.364 7.088 ( 9.219 -4.861 -7.052) 12.584 7.443 ( 8.000 17.833 -8.652) 21.374 7.967 ( 4.702 -13.221 5.768) 15.172 8.314 ( 6.069 2.008 -1.685) 6.611 9.064 ( -6.882 6.394 -1.981) 9.601 9.366 ( 7.588 3.684 -5.529) 10.085 10.160 ( 0.866 1.747 2.975) 3.557 10.793 ( -11.614 -4.405 -1.252) 12.484 11.828 ( -2.921 -16.862 -6.666) 18.366 20.287 ( -1.938 0.861 -0.994) 2.343 20.399 ( -2.258 -0.355 -0.434) 2.326 20.526 ( 1.251 0.503 -0.349) 1.393 20.648 ( 1.848 -2.320 0.484) 3.005 24.864 ( -1.672 -0.981 2.168) 2.909 25.476 ( -0.018 -0.037 -0.207) 0.211 32.454 ( -1.157 -0.410 0.066) 1.229 32.560 ( 0.289 -0.699 -0.888) 1.167 42.531 ( -2.896 2.114 -9.992) 10.616 43.030 ( 10.086 1.754 11.817) 15.635 43.521 ( -4.584 14.585 13.863) 20.638 46.091 ( 18.369 2.397 -23.335) 29.794 ======================= Grid point 339 (184/294) ======================= q-point: ( 0.67 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -16.377 25.288 -3.254) 30.303 2.862 ( -19.064 2.928 5.266) 19.994 3.495 ( -10.707 -2.663 6.035) 12.576 3.889 ( 8.013 2.343 6.973) 10.877 4.082 ( -1.162 -1.880 -5.862) 6.264 4.190 ( -1.422 -7.243 7.848) 10.774 4.814 ( 6.519 4.598 18.755) 20.381 5.373 ( 2.409 -11.964 -5.477) 13.376 5.911 ( -3.855 0.159 -6.208) 7.309 5.973 ( 5.286 7.899 -0.994) 9.556 6.400 ( 3.946 5.706 8.129) 10.687 7.102 ( 2.669 -4.006 -7.939) 9.284 7.171 ( -0.621 11.100 5.387) 12.354 7.665 ( 5.015 9.947 -5.827) 12.572 8.026 ( 11.501 -4.862 1.980) 12.642 8.369 ( 2.831 -5.312 -1.440) 6.190 8.893 ( -14.008 -0.164 -3.924) 14.548 9.553 ( 10.470 5.123 -4.522) 12.503 10.220 ( 1.100 3.611 3.603) 5.218 10.578 ( -7.256 -2.524 -1.563) 7.840 11.625 ( 0.013 -11.851 -7.090) 13.810 20.261 ( -2.043 1.779 -1.225) 2.973 20.373 ( -0.500 0.042 0.859) 0.995 20.553 ( 1.761 -0.011 -0.972) 2.011 20.655 ( 1.517 -2.308 0.562) 2.819 24.839 ( -1.475 -0.781 1.600) 2.312 25.478 ( 0.248 0.156 -0.140) 0.325 32.440 ( -0.325 -0.039 0.471) 0.573 32.561 ( 0.795 -0.245 -0.865) 1.200 42.434 ( -5.125 3.543 -11.042) 12.679 43.253 ( 6.282 0.106 14.694) 15.981 43.613 ( -5.767 8.307 12.996) 16.467 46.269 ( 14.886 -0.169 -19.183) 24.282 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -17.719 19.421 3.393) 26.507 2.657 ( -11.557 7.477 3.592) 14.226 3.281 ( -10.396 0.280 -1.316) 10.482 3.906 ( -5.932 -6.529 1.819) 9.007 4.058 ( -2.138 3.888 5.465) 7.040 4.267 ( 9.097 -6.350 5.645) 12.448 5.016 ( 2.427 2.511 13.781) 14.217 5.202 ( -4.179 -11.650 0.209) 12.379 5.798 ( -4.144 -1.110 -5.294) 6.815 6.141 ( 4.994 6.650 1.176) 8.399 6.498 ( -1.209 0.814 6.842) 6.996 7.003 ( -1.352 -7.497 -11.470) 13.770 7.223 ( -3.367 5.755 0.606) 6.695 7.787 ( 0.987 6.500 -2.776) 7.137 8.176 ( 3.379 -1.946 4.090) 5.651 8.308 ( 0.897 -7.611 -0.906) 7.717 8.589 ( -15.325 -2.750 -4.353) 16.167 9.673 ( 1.011 1.292 -3.949) 4.276 10.319 ( 1.997 5.262 3.230) 6.489 10.559 ( 6.890 5.193 -1.612) 8.777 11.531 ( 5.123 -8.286 -8.287) 12.790 20.244 ( -1.550 2.623 -1.193) 3.272 20.393 ( 1.558 0.827 1.291) 2.186 20.564 ( 0.555 -0.842 -1.234) 1.594 20.665 ( 1.948 -2.234 0.617) 3.028 24.816 ( -1.307 -0.696 1.467) 2.084 25.484 ( 0.306 0.178 -0.124) 0.375 32.447 ( 0.688 0.306 0.677) 1.012 32.570 ( 0.999 -0.036 -0.995) 1.411 42.323 ( -5.663 3.900 -10.189) 12.292 43.361 ( -2.530 -2.355 16.770) 17.122 43.638 ( -4.216 3.120 9.750) 11.072 46.400 ( 12.168 -0.299 -17.839) 21.596 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -23.695 6.190 11.210) 26.934 2.637 ( -3.573 5.874 4.637) 8.293 3.196 ( -12.578 21.124 -6.201) 25.356 3.754 ( -7.963 -6.794 5.839) 11.986 3.941 ( -7.303 -8.782 2.785) 11.756 4.388 ( 6.712 -6.546 7.358) 11.918 5.000 ( -5.792 -14.968 1.128) 16.089 5.134 ( 3.387 2.420 8.341) 9.322 5.730 ( -3.145 2.134 0.326) 3.814 6.243 ( -2.258 5.365 1.224) 5.948 6.445 ( -5.898 -2.970 4.184) 7.818 6.807 ( -4.977 -8.225 -12.798) 16.006 7.243 ( 3.453 0.805 -4.765) 5.940 7.663 ( -13.577 -5.488 -3.094) 14.967 8.037 ( -12.589 -6.696 2.640) 14.501 8.290 ( 0.884 -1.525 -0.843) 1.954 8.475 ( -1.228 7.078 5.135) 8.831 9.608 ( -4.818 -0.994 -4.458) 6.639 10.371 ( 0.236 0.633 1.976) 2.088 10.867 ( 14.260 13.803 1.669) 19.917 11.558 ( 12.749 -5.642 -11.682) 18.189 20.254 ( -0.221 3.785 -1.057) 3.936 20.446 ( 2.508 1.178 1.214) 3.025 20.548 ( -0.228 -1.144 -1.306) 1.751 20.676 ( 1.640 -2.823 0.446) 3.295 24.798 ( -1.006 -0.595 1.845) 2.184 25.490 ( 0.271 0.122 -0.195) 0.355 32.475 ( 1.630 0.518 0.681) 1.841 32.582 ( 1.130 0.143 -1.356) 1.771 42.223 ( -5.163 4.262 -8.306) 10.668 43.294 ( -9.669 -6.800 16.761) 20.511 43.630 ( -3.943 -0.182 6.556) 7.653 46.485 ( 8.613 1.276 -20.209) 22.005 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -28.215 18.260 13.810) 36.335 2.305 ( -11.276 12.657 34.537) 38.473 2.985 ( 1.540 7.206 1.649) 7.551 3.310 ( -10.313 17.490 13.982) 24.653 3.628 ( -18.025 23.912 13.819) 32.980 3.780 ( 2.321 17.122 5.484) 18.128 4.721 ( 8.218 -17.302 14.156) 23.818 5.398 ( 10.869 -5.547 -5.991) 13.595 5.435 ( -1.985 -3.997 -11.280) 12.130 5.684 ( 5.802 -2.628 -2.180) 6.732 5.937 ( 0.235 4.124 -6.862) 8.010 6.834 ( -9.394 13.146 -0.834) 16.179 7.132 ( 4.951 3.764 -3.960) 7.373 7.309 ( 3.052 3.136 -6.612) 7.929 7.517 ( -13.322 -7.606 -9.105) 17.839 8.281 ( 3.181 4.787 8.795) 10.506 8.389 ( -3.061 1.925 5.976) 6.985 9.149 ( -1.073 0.971 -2.474) 2.866 10.264 ( 5.068 3.347 -1.816) 6.339 11.106 ( -7.390 14.967 -9.205) 19.062 12.662 ( 0.405 -24.282 -0.254) 24.287 20.413 ( -0.222 -2.808 -0.352) 2.839 20.505 ( 2.122 -1.569 -1.708) 3.143 20.528 ( 2.169 1.430 0.823) 2.725 20.619 ( -1.512 0.040 0.005) 1.513 25.016 ( 3.688 -6.036 4.354) 8.306 25.522 ( 0.872 -1.461 1.207) 2.086 32.580 ( 1.659 -2.692 -0.546) 3.209 32.651 ( 0.890 -1.783 -0.177) 2.000 42.255 ( -10.795 -4.509 2.425) 11.948 42.724 ( 1.783 17.063 12.289) 21.103 43.103 ( 14.888 16.271 -7.497) 23.294 44.615 ( -42.841 37.913 -44.748) 72.630 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 13.966 19.677 10.243) 26.214 2.531 ( -0.019 15.839 32.420) 36.082 3.084 ( -8.250 -3.895 3.852) 9.903 3.364 ( 9.470 18.655 9.734) 23.075 3.800 ( -7.349 21.710 15.626) 27.740 3.938 ( -8.668 24.166 4.816) 26.122 4.836 ( 4.968 -2.343 11.068) 12.356 5.231 ( -1.900 -2.572 -9.930) 10.432 5.601 ( 4.408 2.336 -2.190) 5.449 5.796 ( 19.885 -7.687 -7.010) 22.442 5.897 ( -5.638 5.837 -5.421) 9.759 6.703 ( -17.199 9.126 -0.936) 19.492 7.098 ( -8.945 -7.899 -2.217) 12.138 7.242 ( -1.718 1.597 -5.897) 6.346 7.413 ( 8.747 4.110 -11.727) 15.197 8.303 ( -4.554 1.803 5.827) 7.612 8.607 ( 10.468 9.113 7.481) 15.767 9.133 ( -0.424 2.354 -1.796) 2.991 10.344 ( 0.398 2.110 -2.122) 3.019 11.148 ( -0.047 16.835 -11.998) 20.673 12.372 ( -0.986 -33.189 4.554) 33.515 20.368 ( -0.342 -4.066 0.188) 4.085 20.497 ( 0.340 -1.702 -1.933) 2.597 20.589 ( -1.145 0.079 0.608) 1.298 20.597 ( 1.423 2.111 -0.329) 2.567 25.006 ( 0.041 -5.663 3.701) 6.765 25.519 ( -0.000 -1.734 0.991) 1.998 32.566 ( 0.212 -2.771 -0.740) 2.877 32.635 ( -0.202 -2.428 -0.075) 2.437 42.113 ( -1.477 -4.160 2.303) 4.979 43.026 ( 0.889 22.910 15.055) 27.428 43.363 ( -3.935 10.886 -2.397) 11.821 44.413 ( 4.147 42.533 -47.218) 63.686 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 39.446 8.503 2.124) 40.407 2.892 ( 5.157 9.043 24.218) 26.360 3.015 ( 6.178 5.886 12.477) 15.116 3.697 ( -15.409 29.945 9.212) 34.914 3.935 ( 0.439 12.623 6.445) 14.180 4.031 ( 1.997 2.915 9.674) 10.299 4.799 ( -7.441 -4.637 0.002) 8.768 5.298 ( 2.192 10.835 -2.302) 11.292 5.517 ( -8.108 7.443 -17.069) 20.310 5.880 ( -0.834 4.556 9.761) 10.805 6.125 ( 25.596 -5.655 -5.447) 26.773 6.483 ( -16.987 8.418 -1.461) 19.014 6.908 ( -4.623 1.952 -3.190) 5.946 7.246 ( 2.088 -0.145 -2.330) 3.132 7.581 ( 11.616 5.142 -10.364) 16.395 8.257 ( -5.323 0.210 5.634) 7.753 8.865 ( 6.905 6.822 2.194) 9.952 9.193 ( 2.648 6.560 0.652) 7.104 10.302 ( -5.206 2.505 -2.552) 6.316 11.227 ( 0.493 5.512 -9.068) 10.623 12.068 ( 0.859 -32.618 3.497) 32.816 20.335 ( 0.616 -3.244 -0.208) 3.308 20.471 ( -0.458 -1.057 -2.055) 2.356 20.565 ( -0.489 -1.369 0.104) 1.457 20.624 ( -1.287 2.230 0.422) 2.609 24.964 ( -1.520 -3.629 3.312) 5.143 25.502 ( -0.495 -1.320 0.401) 1.466 32.532 ( -0.768 -1.948 -0.995) 2.319 32.601 ( -0.781 -2.451 -0.106) 2.575 42.150 ( 8.219 -3.918 3.739) 9.843 43.175 ( -15.795 16.113 -0.539) 22.570 43.414 ( -1.623 23.167 11.402) 25.872 44.857 ( 28.316 23.782 -39.871) 54.379 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 17.548 -4.836 1.296) 18.248 3.192 ( 9.049 8.062 22.798) 25.819 3.561 ( -11.209 27.379 3.449) 29.785 3.677 ( 10.524 26.232 0.731) 28.274 3.965 ( 6.114 -9.617 13.389) 17.582 4.233 ( 8.334 -3.227 10.144) 13.519 4.595 ( -10.470 -2.523 -1.230) 10.840 5.070 ( -20.740 1.665 -15.553) 25.977 5.671 ( 10.364 11.622 -2.400) 15.755 6.006 ( 1.356 8.211 5.821) 10.156 6.306 ( -10.375 8.086 -3.580) 13.632 6.459 ( 20.189 -2.054 -0.988) 20.318 6.951 ( 2.859 8.078 -1.472) 8.695 7.306 ( 2.742 8.128 -0.477) 8.591 7.756 ( 9.262 1.023 -6.527) 11.377 8.211 ( -2.320 0.412 3.820) 4.489 9.015 ( 5.409 4.578 -1.443) 7.232 9.301 ( 1.036 5.643 -0.436) 5.753 10.230 ( -4.826 2.880 -0.120) 5.621 11.146 ( -6.712 -3.289 -4.979) 8.981 11.810 ( 2.534 -27.937 -0.526) 28.057 20.320 ( 0.598 -1.565 -0.935) 1.918 20.443 ( -0.734 -0.626 -1.891) 2.122 20.548 ( -0.145 -1.240 0.140) 1.256 20.611 ( -1.856 0.549 0.966) 2.163 24.924 ( -1.710 -2.093 2.632) 3.773 25.485 ( -0.441 -0.721 -0.053) 0.846 32.497 ( -1.084 -0.982 -0.828) 1.680 32.565 ( -0.617 -1.994 -0.264) 2.105 42.324 ( 12.935 -3.832 4.881) 14.347 43.053 ( -12.564 15.995 -6.087) 21.231 43.682 ( -3.900 22.386 17.428) 28.637 45.304 ( 27.081 9.178 -32.320) 43.153 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 6.015 5.919 1.925) 8.656 3.254 ( -13.125 -1.276 4.936) 14.080 3.583 ( -9.067 33.143 3.122) 34.503 3.839 ( -1.297 -2.537 13.123) 13.428 4.201 ( -11.862 -3.202 7.011) 14.146 4.460 ( -0.461 -5.155 2.595) 5.790 4.578 ( 29.739 7.025 1.215) 30.582 4.716 ( -1.502 -4.434 -4.881) 6.763 5.849 ( 2.563 5.586 -6.871) 9.218 6.085 ( -3.970 7.615 -0.537) 8.605 6.294 ( 0.883 7.307 3.533) 8.165 6.755 ( 15.553 -0.775 -2.269) 15.736 7.093 ( 5.790 8.376 2.658) 10.524 7.506 ( 4.245 19.631 -1.886) 20.173 7.807 ( 2.568 -7.228 0.134) 7.672 8.240 ( 2.886 0.747 -0.009) 2.982 9.137 ( 3.702 4.399 -2.389) 6.226 9.309 ( -0.983 1.629 -4.806) 5.169 10.211 ( -1.968 3.391 3.322) 5.138 10.922 ( -10.278 -6.724 -3.638) 12.810 11.600 ( 2.313 -22.097 -2.997) 22.419 20.313 ( -0.245 0.544 -1.139) 1.286 20.411 ( -0.997 -1.064 -1.567) 2.141 20.535 ( -0.865 -0.110 0.454) 0.983 20.599 ( 0.635 -1.604 0.900) 1.945 24.891 ( -1.591 -1.311 1.876) 2.787 25.475 ( -0.104 -0.184 -0.188) 0.283 32.469 ( -1.099 -0.364 -0.241) 1.183 32.543 ( 0.108 -1.256 -0.503) 1.358 42.500 ( 6.854 -0.612 0.576) 6.905 43.043 ( -2.084 12.683 -0.924) 12.886 43.868 ( -7.972 17.044 17.942) 25.999 45.622 ( 23.113 0.845 -25.630) 34.522 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( -13.779 7.404 -1.570) 15.720 3.236 ( -11.491 12.140 1.025) 16.748 3.679 ( -15.376 8.826 2.908) 17.966 3.881 ( 1.033 0.938 10.601) 10.693 4.036 ( 0.956 0.745 -1.152) 1.672 4.248 ( -8.506 -7.403 2.682) 11.591 4.810 ( 8.574 2.706 14.677) 17.212 5.124 ( 18.972 0.095 -3.515) 19.296 5.863 ( 1.638 0.708 -6.671) 6.906 6.044 ( -4.709 4.522 -3.070) 7.214 6.422 ( 3.034 2.584 7.583) 8.567 6.900 ( 7.138 -2.260 -7.516) 10.609 7.364 ( 4.414 16.739 7.070) 18.699 7.732 ( -0.736 13.544 -2.531) 13.798 7.785 ( 9.795 -4.796 1.327) 10.987 8.262 ( 1.799 -5.816 -1.052) 6.178 9.065 ( -9.537 -1.965 -5.743) 11.305 9.407 ( 9.707 5.425 -3.400) 11.628 10.257 ( 0.761 3.721 4.193) 5.657 10.671 ( -8.897 -5.811 -3.842) 11.300 11.431 ( 2.103 -16.327 -3.969) 16.934 20.308 ( -1.425 2.328 -1.166) 2.968 20.380 ( -0.371 -1.071 -0.505) 1.241 20.529 ( 0.219 -0.129 0.048) 0.258 20.604 ( 1.634 -2.632 0.772) 3.193 24.863 ( -1.456 -0.976 1.338) 2.205 25.475 ( 0.187 0.121 -0.151) 0.269 32.451 ( -0.759 -0.036 0.269) 0.806 32.539 ( 0.764 -0.636 -0.636) 1.180 42.527 ( -3.771 5.894 -6.750) 9.722 43.207 ( 7.156 5.091 8.322) 12.099 43.923 ( -11.117 9.734 15.713) 21.570 45.855 ( 19.915 -2.345 -20.296) 28.531 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( -7.145 6.005 2.672) 9.708 3.121 ( -21.086 23.846 1.459) 31.864 3.357 ( -15.411 -7.610 -1.701) 17.272 3.921 ( -3.134 -4.634 6.335) 8.452 4.114 ( 7.329 -3.750 2.181) 8.517 4.216 ( -1.518 10.601 3.465) 11.256 5.037 ( 6.115 -0.979 14.514) 15.781 5.198 ( -4.308 -1.981 -2.424) 5.325 5.822 ( -2.233 -1.371 -4.857) 5.519 6.092 ( 6.821 3.781 -0.859) 7.846 6.497 ( 2.067 -4.119 6.939) 8.330 6.896 ( -0.037 -1.352 -10.236) 10.325 7.398 ( -10.767 3.001 0.258) 11.181 7.876 ( -2.424 10.877 -1.929) 11.310 8.034 ( 17.355 5.920 3.906) 18.748 8.197 ( 1.784 -9.073 1.730) 9.407 8.804 ( -14.258 -2.986 -5.310) 15.505 9.597 ( 7.557 2.987 -3.485) 8.841 10.340 ( 1.987 2.527 3.134) 4.490 10.530 ( -0.114 2.354 -3.906) 4.562 11.317 ( 3.463 -12.419 -4.373) 13.615 20.297 ( -1.896 2.989 -1.241) 3.751 20.384 ( 1.168 0.389 0.541) 1.345 20.535 ( 0.933 -0.597 -0.826) 1.382 20.606 ( 1.719 -3.495 0.992) 4.020 24.837 ( -1.283 -0.831 1.192) 1.938 25.480 ( 0.281 0.184 -0.145) 0.366 32.447 ( -0.005 0.202 0.491) 0.531 32.546 ( 1.024 -0.327 -0.767) 1.321 42.456 ( -7.605 8.632 -8.675) 14.408 43.401 ( 4.962 -0.586 13.567) 14.458 43.854 ( -11.578 2.309 10.732) 15.955 46.050 ( 16.939 -1.227 -17.141) 24.130 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -21.505 6.363 10.685) 24.842 2.957 ( -16.749 5.147 5.917) 18.494 3.264 ( 6.466 7.533 -4.717) 10.991 3.854 ( -2.600 -1.787 5.733) 6.544 4.137 ( -11.901 3.239 3.297) 12.767 4.301 ( 3.593 4.796 0.745) 6.039 4.984 ( -10.734 -10.696 -2.243) 15.318 5.129 ( 2.774 -8.066 10.281) 13.359 5.799 ( -0.773 5.907 -0.376) 5.969 6.245 ( 6.548 0.899 0.483) 6.627 6.476 ( -1.401 -8.436 4.987) 9.900 6.776 ( -5.868 -0.099 -11.847) 13.221 7.237 ( -6.232 0.449 -4.058) 7.450 7.772 ( -7.861 -5.232 -3.236) 9.982 8.190 ( -2.632 -3.621 1.276) 4.654 8.276 ( -2.862 1.482 0.538) 3.268 8.608 ( -2.448 9.283 5.804) 11.218 9.637 ( -1.286 -0.362 -4.727) 4.913 10.355 ( 0.762 -2.982 -0.168) 3.082 10.762 ( 15.967 16.195 -1.664) 22.803 11.259 ( 6.029 -11.359 -4.677) 13.684 20.301 ( -0.957 4.173 -1.159) 4.436 20.424 ( 2.076 1.036 0.702) 2.424 20.532 ( 0.132 -0.736 -1.189) 1.405 20.606 ( 2.206 -4.551 1.009) 5.157 24.817 ( -0.989 -0.731 1.485) 1.928 25.485 ( 0.248 0.116 -0.229) 0.357 32.460 ( 0.926 0.237 0.492) 1.075 32.557 ( 1.085 -0.055 -1.068) 1.524 42.366 ( -8.176 9.412 -7.685) 14.645 43.451 ( -5.564 -7.159 18.070) 20.218 43.724 ( -6.439 -2.666 2.928) 7.559 46.223 ( 12.854 2.742 -17.118) 21.582 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -10.436 17.352 5.837) 21.073 2.770 ( -16.114 4.598 31.622) 35.788 3.055 ( -12.794 0.005 5.855) 14.070 3.549 ( -3.516 8.951 4.130) 10.467 3.956 ( 2.766 4.690 9.623) 11.056 4.351 ( -8.164 36.588 10.417) 38.908 4.572 ( -5.262 -9.597 11.681) 16.007 5.158 ( 6.148 -0.458 -11.464) 13.017 5.362 ( 0.160 3.589 -7.556) 8.367 5.640 ( -4.329 -4.989 -4.161) 7.807 5.946 ( 0.989 5.910 0.766) 6.041 6.965 ( 1.949 4.987 -1.808) 5.651 7.068 ( 0.614 -3.024 -8.345) 8.897 7.330 ( 1.935 16.616 -4.782) 17.398 7.682 ( -17.920 -4.336 -6.116) 19.426 8.319 ( 3.854 6.067 9.236) 11.703 8.529 ( -9.144 -1.706 4.564) 10.361 9.199 ( -3.204 3.946 -3.846) 6.374 10.218 ( 3.367 3.426 -0.972) 4.901 11.168 ( 4.498 1.163 -3.341) 5.723 12.402 ( 1.574 -23.052 -4.841) 23.607 20.392 ( 0.893 -0.486 -0.528) 1.145 20.443 ( 1.305 -2.224 -2.427) 3.541 20.500 ( 2.401 -0.059 1.136) 2.657 20.646 ( -1.649 -0.078 0.195) 1.662 24.938 ( 2.955 -3.030 3.992) 5.818 25.500 ( 0.815 -0.885 0.350) 1.253 32.524 ( 1.825 -1.885 -0.782) 2.738 32.615 ( 1.123 -1.514 -0.499) 1.950 42.463 ( -16.554 -4.798 3.850) 17.660 42.857 ( 8.569 14.004 3.829) 16.858 43.068 ( 5.584 20.213 1.702) 21.040 45.328 ( -35.245 16.963 -38.007) 54.539 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -27.979 13.925 9.717) 32.729 2.820 ( 0.650 6.256 25.737) 26.494 3.111 ( 5.160 4.431 8.869) 11.177 3.485 ( -8.389 8.255 5.975) 13.199 4.114 ( -0.221 9.679 3.617) 10.335 4.377 ( -11.597 15.342 12.702) 23.048 4.923 ( 11.339 24.265 8.876) 28.216 5.177 ( 1.448 1.989 -15.102) 15.301 5.363 ( 5.822 -3.229 -1.713) 6.874 5.590 ( 3.036 1.591 -2.018) 3.978 6.004 ( -1.106 6.954 -2.902) 7.616 6.937 ( -7.031 -4.175 -0.703) 8.207 7.034 ( 3.353 -3.548 -4.735) 6.801 7.306 ( -12.485 -0.313 -10.147) 16.091 7.465 ( -4.692 15.654 -6.652) 17.644 8.449 ( -5.743 3.368 5.000) 8.327 8.532 ( 10.325 4.594 9.086) 14.500 9.176 ( -1.978 4.264 -2.946) 5.547 10.309 ( 3.689 2.593 -1.323) 4.699 11.215 ( 0.732 4.886 -9.098) 10.352 12.102 ( -2.140 -31.623 2.867) 31.825 20.345 ( -1.533 -3.715 -0.081) 4.020 20.454 ( 1.676 -1.343 -1.867) 2.846 20.576 ( 3.641 2.139 0.063) 4.223 20.610 ( -1.705 -0.755 0.342) 1.896 24.962 ( 1.572 -3.634 3.314) 5.163 25.503 ( 0.489 -1.312 0.413) 1.460 32.526 ( 1.069 -1.969 -0.908) 2.418 32.608 ( 0.459 -2.295 -0.192) 2.348 42.195 ( -10.807 -3.891 2.595) 11.776 43.248 ( 12.487 20.069 7.699) 24.859 43.392 ( 5.527 19.415 4.290) 20.637 44.772 ( -26.839 23.646 -40.065) 53.710 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 9.219 3.967 1.979) 10.230 3.067 ( 3.796 6.168 14.894) 16.562 3.122 ( -7.390 5.599 22.958) 24.760 3.727 ( 16.035 5.066 4.091) 17.307 4.161 ( -6.601 8.488 10.433) 14.983 4.414 ( -12.854 20.463 -0.627) 24.173 4.963 ( -11.291 4.231 -3.222) 12.480 5.346 ( 4.985 10.550 1.753) 11.799 5.593 ( 21.634 1.455 -9.840) 23.811 5.667 ( -0.349 9.902 -7.229) 12.265 6.035 ( -3.473 9.502 5.940) 11.731 6.706 ( -10.047 -7.167 1.414) 12.422 7.010 ( -2.120 -1.296 -3.282) 4.116 7.158 ( -0.345 7.273 -12.914) 14.825 7.540 ( 0.373 13.456 -2.669) 13.723 8.400 ( -6.917 1.768 5.600) 9.074 8.794 ( 9.845 3.186 3.982) 11.087 9.209 ( 1.941 5.638 -1.215) 6.085 10.350 ( 0.049 1.079 -2.795) 2.997 11.176 ( 0.087 -2.914 -12.136) 12.481 11.818 ( -1.215 -26.783 9.728) 28.521 20.295 ( -0.096 -3.748 0.537) 3.787 20.451 ( 0.531 -0.826 -1.879) 2.120 20.562 ( -1.409 -1.674 -0.459) 2.236 20.653 ( 1.314 2.381 0.131) 2.723 24.957 ( 0.039 -3.075 2.640) 4.053 25.495 ( -0.009 -1.265 0.182) 1.278 32.513 ( 0.181 -1.520 -1.081) 1.874 32.585 ( -0.256 -2.499 0.033) 2.513 42.076 ( -1.083 -2.647 3.336) 4.394 43.537 ( -6.540 10.711 -2.431) 12.783 43.697 ( 3.754 24.597 19.543) 31.639 44.596 ( 3.530 24.905 -40.522) 47.695 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 30.752 -1.209 -3.674) 30.994 3.199 ( 9.718 3.124 15.298) 18.391 3.409 ( 9.256 6.507 19.694) 22.713 3.876 ( 3.700 -10.436 -1.921) 11.238 4.222 ( -2.136 5.854 9.942) 11.734 4.341 ( -18.053 27.718 -1.402) 33.109 4.794 ( -12.274 1.400 0.485) 12.363 5.436 ( -23.014 9.822 -12.319) 27.890 5.592 ( 11.317 8.741 -0.968) 14.332 5.944 ( 16.455 1.917 -10.198) 19.453 6.197 ( 5.485 9.039 13.223) 16.930 6.527 ( -6.872 0.195 -3.261) 7.609 6.949 ( -0.247 0.054 -4.130) 4.137 7.302 ( 8.482 13.467 -3.257) 16.245 7.696 ( 2.825 12.622 -0.855) 12.962 8.313 ( -6.820 -0.003 4.747) 8.309 8.952 ( 6.017 2.349 -0.909) 6.523 9.302 ( 2.948 2.366 -1.034) 3.919 10.323 ( -2.720 2.183 -1.667) 3.865 11.055 ( 2.232 -14.065 -9.673) 17.216 11.614 ( -3.960 -17.713 9.041) 20.277 20.276 ( 1.357 -2.787 0.369) 3.121 20.442 ( -0.179 0.355 -1.860) 1.902 20.523 ( -0.489 -2.511 -0.383) 2.587 20.669 ( -1.706 1.624 0.241) 2.367 24.936 ( -0.825 -2.188 1.934) 3.034 25.483 ( -0.224 -0.809 -0.071) 0.843 32.495 ( -0.327 -0.732 -1.094) 1.357 32.555 ( -0.582 -2.175 0.198) 2.260 42.137 ( 8.050 -2.223 5.164) 9.819 43.418 ( -15.197 13.966 -6.705) 21.701 44.052 ( -1.201 21.651 20.229) 29.655 44.831 ( 19.755 13.652 -32.046) 40.045 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 21.621 -0.314 -1.449) 21.672 3.464 ( -7.810 -4.375 9.529) 13.074 3.558 ( 21.077 -16.240 5.767) 27.225 4.020 ( 17.137 9.747 2.288) 19.848 4.268 ( -5.600 26.390 -3.298) 27.179 4.375 ( -3.946 0.975 10.835) 11.572 4.601 ( -11.944 3.946 4.028) 13.208 4.995 ( -27.610 6.095 -10.585) 30.191 5.836 ( 4.179 7.475 -1.839) 8.759 6.141 ( 10.750 3.043 -3.876) 11.825 6.297 ( -4.762 0.683 -1.472) 5.031 6.607 ( 9.312 10.600 4.448) 14.794 6.986 ( 8.868 -1.001 -2.537) 9.278 7.579 ( 7.420 11.077 1.666) 13.436 7.828 ( -2.324 13.786 -0.156) 13.982 8.250 ( -2.695 0.427 2.408) 3.639 9.064 ( 6.200 1.268 -2.011) 6.640 9.309 ( -0.617 -0.906 -4.389) 4.524 10.306 ( -2.704 3.415 2.354) 4.951 10.878 ( -0.038 -17.035 -7.511) 18.618 11.427 ( -4.483 -13.116 5.310) 14.843 20.286 ( 2.037 -1.391 -0.128) 2.470 20.424 ( -1.783 0.533 -1.387) 2.321 20.503 ( 1.482 -2.468 -0.509) 2.924 20.639 ( -3.154 0.794 0.716) 3.330 24.909 ( -1.156 -1.545 1.219) 2.282 25.474 ( -0.097 -0.264 -0.144) 0.316 32.479 ( -0.560 -0.077 -0.716) 0.913 32.529 ( -0.314 -1.537 0.151) 1.576 42.328 ( 12.249 -1.813 6.325) 13.905 43.292 ( -11.523 15.730 -8.447) 21.250 44.264 ( -7.045 15.112 18.322) 24.773 45.127 ( 21.119 4.855 -23.214) 31.756 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( 0.203 -15.220 -3.680) 15.660 3.435 ( 4.429 11.190 1.562) 12.136 3.742 ( 11.340 -11.280 7.131) 17.513 4.181 ( -14.377 -1.079 0.859) 14.443 4.221 ( -5.483 13.510 -1.737) 14.683 4.420 ( -25.611 4.549 4.571) 26.411 4.695 ( 18.372 9.175 2.588) 20.698 4.817 ( 11.563 9.085 2.327) 14.888 5.851 ( -2.322 1.706 -6.597) 7.199 6.167 ( -8.110 2.150 -2.911) 8.881 6.339 ( 10.205 -4.920 2.101) 11.522 6.838 ( 2.708 10.839 1.513) 11.274 7.271 ( 21.447 6.883 0.951) 22.544 7.680 ( -1.174 -2.807 2.097) 3.695 7.948 ( -2.840 20.586 1.008) 20.806 8.217 ( -2.413 -3.541 0.890) 4.377 9.086 ( -0.847 -6.705 -5.623) 8.791 9.322 ( 4.576 5.763 -2.402) 7.741 10.318 ( -1.527 2.713 4.501) 5.473 10.665 ( -2.668 -12.798 -6.716) 14.698 11.274 ( -2.128 -10.595 1.813) 10.958 20.314 ( 2.093 0.092 -0.388) 2.131 20.383 ( -2.132 -0.195 -0.944) 2.340 20.512 ( 1.674 -1.371 -0.456) 2.211 20.597 ( -2.386 -0.264 0.963) 2.586 24.880 ( -1.207 -1.192 0.706) 1.838 25.473 ( 0.123 0.096 -0.092) 0.182 32.466 ( -0.789 0.129 -0.066) 0.802 32.519 ( 0.415 -0.779 -0.154) 0.897 42.529 ( 7.457 1.190 3.402) 8.283 43.266 ( -3.458 12.315 -4.229) 13.472 44.289 ( -11.753 5.891 13.799) 19.059 45.403 ( 19.744 2.010 -15.604) 25.245 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 2.566 -13.019 -2.997) 13.604 3.557 ( -7.841 9.189 0.842) 12.109 3.814 ( -23.889 6.580 2.074) 24.865 3.894 ( 13.700 -4.442 -2.379) 14.597 4.077 ( -17.518 -3.310 9.150) 20.039 4.335 ( -0.130 13.442 -1.010) 13.480 4.955 ( 7.529 0.335 9.329) 11.993 5.176 ( 10.982 3.204 -1.688) 11.564 5.798 ( -0.569 2.014 -5.639) 6.014 6.053 ( -2.257 -0.787 -1.646) 2.902 6.409 ( 4.719 -8.625 2.660) 10.185 6.940 ( -3.273 10.528 -0.572) 11.040 7.577 ( -6.978 -3.914 0.788) 8.039 7.756 ( 22.914 10.338 -1.704) 25.195 8.020 ( -8.313 -0.596 -4.100) 9.288 8.163 ( 1.347 5.871 9.871) 11.564 8.921 ( -6.805 -4.386 -6.061) 10.114 9.480 ( 7.594 3.832 -1.697) 8.673 10.342 ( 0.013 -1.309 2.687) 2.989 10.523 ( 0.022 -1.415 -4.894) 5.095 11.167 ( -0.124 -8.305 -0.147) 8.307 20.344 ( -1.025 2.247 -1.034) 2.677 20.358 ( 1.652 -0.657 0.028) 1.778 20.520 ( 0.636 -0.512 -0.399) 0.908 20.567 ( -0.529 -2.024 0.963) 2.303 24.853 ( -1.097 -1.013 0.565) 1.596 25.477 ( 0.220 0.196 -0.077) 0.305 32.456 ( -0.551 0.133 0.268) 0.627 32.524 ( 0.842 -0.258 -0.371) 0.956 42.608 ( -2.812 7.249 -3.096) 8.369 43.364 ( 4.713 3.375 4.725) 7.478 44.135 ( -14.369 -3.507 8.715) 17.168 45.679 ( 17.874 4.009 -11.237) 21.490 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 9.117 -9.117 -1.168) 12.946 3.296 ( -22.661 -3.445 9.551) 24.832 3.634 ( -17.971 20.817 -1.612) 27.548 3.867 ( -5.255 -7.672 9.809) 13.516 4.102 ( 11.904 2.499 -3.189) 12.575 4.439 ( -1.697 8.946 -0.873) 9.147 4.985 ( 0.306 -17.678 5.049) 18.387 5.149 ( -10.970 0.288 -3.464) 11.508 5.856 ( 2.405 9.106 -0.630) 9.439 6.101 ( 7.424 -1.181 0.315) 7.524 6.384 ( 2.989 -11.036 1.795) 11.574 6.924 ( -9.332 9.993 -2.441) 13.889 7.389 ( -11.514 -1.009 -0.493) 11.569 7.796 ( -5.814 -10.377 -2.513) 12.158 8.103 ( 10.313 4.649 -4.926) 12.338 8.337 ( 0.845 2.861 5.368) 6.141 8.784 ( -4.743 7.290 2.736) 9.117 9.586 ( 3.758 -0.121 -3.527) 5.155 10.303 ( -0.094 -4.356 -1.557) 4.627 10.636 ( 10.730 7.369 -1.632) 13.118 11.113 ( 1.457 -4.111 -0.335) 4.374 20.344 ( -0.609 2.761 -0.812) 2.942 20.397 ( 2.275 0.493 -0.245) 2.341 20.521 ( 0.250 -0.183 -0.506) 0.594 20.546 ( 0.452 -3.354 1.163) 3.579 24.831 ( -0.848 -0.897 0.828) 1.486 25.482 ( 0.182 0.132 -0.160) 0.276 32.454 ( 0.124 -0.048 0.270) 0.301 32.536 ( 0.924 0.161 -0.588) 1.107 42.573 ( -7.935 10.491 -5.711) 14.340 43.486 ( 3.808 -4.252 11.571) 12.902 43.849 ( -13.921 -10.983 2.911) 17.969 45.962 ( 14.880 8.447 -10.714) 20.188 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 9.860 9.792 0.042) 13.896 3.136 ( -4.951 0.972 23.930) 24.456 3.577 ( -18.156 17.207 11.160) 27.391 3.675 ( -0.520 -2.139 3.258) 3.932 3.830 ( 5.598 4.303 6.940) 9.900 4.455 ( 4.166 1.974 8.964) 10.080 4.744 ( 2.957 -6.873 -1.706) 7.674 5.123 ( -9.170 -0.400 -5.114) 10.507 5.608 ( -12.331 21.214 -0.168) 24.538 5.691 ( -8.271 2.572 -4.929) 9.966 6.034 ( -2.768 4.119 4.451) 6.666 6.927 ( 5.632 2.228 -5.255) 8.019 7.005 ( -5.828 -0.143 -10.826) 12.296 7.449 ( 2.394 16.492 -1.040) 16.697 7.956 ( -18.992 -0.716 -2.995) 19.240 8.352 ( 3.331 4.170 6.537) 8.439 8.676 ( -7.371 -2.968 4.315) 9.042 9.279 ( -4.468 4.184 -5.432) 8.184 10.210 ( 1.998 4.301 0.748) 4.801 10.993 ( 10.662 -5.536 -1.859) 12.157 12.116 ( 3.573 -20.437 -6.335) 21.693 20.349 ( 3.690 0.771 -0.961) 3.891 20.413 ( -0.307 -1.352 -1.302) 1.902 20.470 ( 0.048 -1.486 0.361) 1.530 20.670 ( -1.230 -0.428 0.312) 1.339 24.893 ( 2.076 -1.598 3.039) 4.012 25.483 ( 0.455 -0.402 -0.114) 0.618 32.478 ( 1.452 -1.055 -0.452) 1.851 32.583 ( 0.720 -1.068 -0.795) 1.514 42.696 ( -9.299 -2.714 -2.384) 9.976 42.838 ( 1.594 10.218 0.456) 10.352 43.248 ( 3.367 18.475 14.590) 23.781 45.774 ( -26.047 6.290 -29.507) 39.858 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 8.454 16.973 7.296) 20.317 2.971 ( -37.242 -7.025 9.924) 39.177 3.270 ( -2.174 8.177 22.173) 23.733 3.752 ( -8.183 3.837 5.205) 10.430 4.123 ( 9.496 14.013 1.510) 16.994 4.628 ( -2.410 -1.452 9.311) 9.727 4.746 ( 15.030 2.769 -0.795) 15.303 5.073 ( 6.280 3.335 -15.167) 16.751 5.515 ( -10.692 3.539 -3.819) 11.892 5.732 ( -5.417 22.455 8.477) 24.606 6.059 ( -0.036 6.437 0.034) 6.437 6.850 ( -0.478 -5.388 -9.567) 10.990 7.035 ( 0.556 3.394 -1.003) 3.582 7.557 ( -16.593 3.737 -3.751) 17.417 7.658 ( -4.344 15.082 -6.781) 17.098 8.418 ( 4.489 -3.442 3.284) 6.541 8.640 ( -4.350 5.542 8.708) 11.201 9.237 ( -2.417 3.921 -3.992) 6.096 10.287 ( 1.824 3.394 0.448) 3.879 11.096 ( 8.409 -5.201 -5.403) 11.267 11.859 ( -1.897 -26.358 -0.905) 26.442 20.348 ( -2.723 -2.799 -1.010) 4.034 20.401 ( 2.461 -0.240 -1.311) 2.799 20.522 ( 4.539 1.096 0.765) 4.731 20.634 ( -1.970 -1.230 0.211) 2.332 24.922 ( 1.723 -2.094 2.640) 3.785 25.485 ( 0.438 -0.703 -0.040) 0.829 32.488 ( 1.134 -0.949 -0.715) 1.642 32.577 ( 0.592 -1.828 -0.415) 1.966 42.401 ( -15.819 -4.489 2.963) 16.708 43.149 ( 15.037 18.132 -7.690) 24.780 43.611 ( 5.088 21.493 19.581) 29.517 45.218 ( -28.011 8.654 -31.302) 42.887 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -29.844 -4.100 6.276) 30.771 3.108 ( 7.902 7.498 10.330) 15.012 3.429 ( -7.243 4.840 21.759) 23.438 3.639 ( -1.621 2.014 1.608) 3.045 4.349 ( -1.551 10.313 5.376) 11.733 4.653 ( 0.755 8.874 1.126) 8.977 5.027 ( 17.059 -3.228 -8.909) 19.514 5.181 ( 2.744 7.540 -14.425) 16.507 5.418 ( 0.539 7.294 5.429) 9.109 5.862 ( -3.816 11.492 1.470) 12.198 6.199 ( 0.534 16.868 1.851) 16.978 6.752 ( -2.515 -4.961 -4.910) 7.420 6.973 ( -5.283 -2.625 1.878) 6.191 7.328 ( -11.018 11.942 -9.353) 18.748 7.722 ( -4.390 15.710 -3.513) 16.686 8.508 ( 3.806 -0.934 0.430) 3.943 8.685 ( 1.856 0.596 10.035) 10.223 9.235 ( -0.330 4.565 -3.271) 5.626 10.329 ( 0.951 0.863 -1.548) 2.012 11.049 ( 0.052 -12.725 -8.499) 15.302 11.648 ( 1.845 -18.109 7.825) 19.814 20.278 ( -1.724 -3.035 0.279) 3.501 20.420 ( 1.303 -0.542 -1.271) 1.899 20.571 ( -1.152 -1.251 -0.828) 1.891 20.631 ( 3.089 1.473 0.544) 3.466 24.935 ( 0.875 -2.170 1.955) 3.049 25.483 ( 0.204 -0.799 -0.066) 0.827 32.490 ( 0.587 -0.716 -0.957) 1.332 32.563 ( 0.198 -2.094 -0.020) 2.104 42.161 ( -9.619 -2.765 3.381) 10.565 43.527 ( 13.259 13.976 -7.745) 20.763 43.993 ( 1.996 20.518 20.578) 29.128 44.766 ( -17.474 15.202 -29.886) 37.810 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 7.088 -1.267 0.568) 7.223 3.169 ( -3.342 -8.861 8.913) 13.005 3.509 ( 3.351 5.298 20.090) 21.045 3.735 ( 3.731 4.185 -4.060) 6.922 4.353 ( -4.418 0.993 5.103) 6.822 4.690 ( -5.840 4.238 -4.988) 8.772 5.069 ( -13.170 12.910 -5.206) 19.162 5.335 ( 21.851 0.454 0.281) 21.857 5.700 ( 11.653 10.310 -3.432) 15.933 5.829 ( -10.157 9.930 -6.920) 15.801 6.329 ( -0.876 11.361 5.350) 12.588 6.590 ( -8.502 -1.924 -2.783) 9.150 6.950 ( -0.930 -0.467 0.273) 1.076 7.316 ( 1.081 15.543 -7.821) 17.434 7.842 ( -0.005 17.571 2.391) 17.733 8.464 ( -7.205 -0.895 3.616) 8.111 8.812 ( 9.291 -4.286 2.324) 10.492 9.274 ( 1.405 3.301 -2.829) 4.569 10.334 ( 0.893 0.524 -2.851) 3.033 10.842 ( -1.295 -17.350 -4.152) 17.887 11.582 ( -0.606 -10.794 8.745) 13.905 20.239 ( 0.028 -2.616 0.791) 2.733 20.429 ( 0.960 0.061 -1.292) 1.610 20.525 ( -1.949 -1.260 -0.633) 2.406 20.686 ( 1.197 0.966 -0.069) 1.540 24.930 ( 0.020 -1.916 1.164) 2.242 25.477 ( -0.016 -0.573 -0.109) 0.583 32.485 ( 0.130 -0.359 -1.118) 1.181 32.544 ( -0.235 -1.782 0.388) 1.838 42.076 ( -0.196 -1.740 4.706) 5.021 43.686 ( -4.536 8.362 -4.427) 10.492 44.238 ( 4.056 13.645 -5.243) 15.170 44.726 ( 0.519 21.388 -4.491) 21.860 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 29.374 -0.798 -3.833) 29.634 3.112 ( 9.360 -18.202 5.217) 21.121 3.636 ( -5.852 2.508 10.882) 12.608 3.853 ( 10.034 4.145 -0.405) 10.864 4.352 ( 2.139 -0.598 2.968) 3.707 4.553 ( -6.749 1.018 -4.680) 8.276 4.942 ( -14.708 12.380 -1.354) 19.272 5.519 ( -24.400 11.225 -9.727) 28.566 5.723 ( 19.329 0.373 5.340) 20.056 5.985 ( 3.287 9.466 -4.541) 11.001 6.437 ( -2.721 -0.333 -7.607) 8.086 6.535 ( 6.129 11.495 8.028) 15.302 6.904 ( -0.950 1.708 -0.686) 2.071 7.528 ( 8.480 9.290 -2.182) 12.766 8.043 ( -0.582 18.305 3.942) 18.733 8.347 ( -6.380 -0.863 3.201) 7.190 8.907 ( 8.135 -7.278 -1.215) 10.983 9.299 ( -0.099 3.459 -3.021) 4.594 10.357 ( 1.349 2.148 -0.912) 2.696 10.645 ( -0.015 -18.028 -1.975) 18.136 11.473 ( -6.104 -8.092 7.101) 12.376 20.236 ( 1.727 -1.909 0.613) 2.646 20.444 ( 1.257 0.632 -1.157) 1.822 20.475 ( -2.359 -0.906 -0.430) 2.563 20.688 ( -1.482 0.173 0.024) 1.493 24.912 ( -0.557 -1.595 0.406) 1.738 25.472 ( -0.040 -0.177 -0.071) 0.195 32.478 ( 0.007 0.043 -1.096) 1.097 32.526 ( -0.532 -1.171 0.715) 1.472 42.163 ( 8.485 -1.499 6.611) 10.861 43.586 ( -11.575 11.221 -8.552) 18.249 44.381 ( 8.448 2.672 -13.837) 16.431 44.984 ( 2.008 19.034 10.749) 21.951 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 13.954 -12.626 -7.317) 20.191 3.238 ( 18.888 -4.760 2.028) 19.583 3.615 ( -0.571 -1.994 8.510) 8.759 4.020 ( 11.066 -8.331 -5.328) 14.840 4.361 ( -0.926 -3.587 1.074) 3.857 4.595 ( 5.348 9.857 2.964) 11.599 4.816 ( -9.444 9.466 -1.108) 13.418 5.181 ( -26.685 18.716 -4.745) 32.938 5.907 ( -6.357 1.207 -1.416) 6.623 6.049 ( 15.263 -7.217 -0.463) 16.890 6.340 ( -9.662 3.468 -3.825) 10.955 6.867 ( 18.558 7.175 3.569) 20.214 7.020 ( 5.643 10.593 0.571) 12.016 7.674 ( 2.520 1.603 0.182) 2.992 8.183 ( -2.219 11.069 5.123) 12.397 8.283 ( -5.077 3.539 0.673) 6.225 8.923 ( 5.731 -10.939 -3.605) 12.865 9.338 ( 0.355 7.152 -1.098) 7.244 10.394 ( -1.451 2.315 3.443) 4.395 10.477 ( 2.443 -15.014 -4.599) 15.892 11.313 ( -7.803 -5.692 4.664) 10.726 20.263 ( 2.829 -1.031 0.330) 3.029 20.424 ( -2.652 -0.380 -0.284) 2.694 20.470 ( 1.520 0.693 -0.828) 1.865 20.648 ( -2.913 -0.438 0.231) 2.955 24.887 ( -0.807 -1.344 -0.121) 1.573 25.472 ( 0.069 0.132 0.020) 0.151 32.475 ( -0.141 0.287 -0.798) 0.859 32.513 ( -0.390 -0.542 0.753) 1.006 42.374 ( 12.620 -1.162 7.788) 14.875 43.472 ( -9.387 12.327 -10.516) 18.726 44.403 ( 2.959 -6.432 -9.315) 11.700 45.248 ( 3.319 15.265 10.454) 18.797 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 1.706 -10.168 -5.322) 11.603 3.540 ( 18.046 -7.774 -0.579) 19.658 3.623 ( 0.663 -4.199 3.103) 5.263 4.065 ( 5.570 -4.030 -3.258) 7.608 4.228 ( -9.915 -0.083 0.738) 9.943 4.673 ( -14.638 6.638 3.607) 16.473 4.913 ( 12.190 1.942 -4.179) 13.032 5.041 ( -6.266 15.681 1.696) 16.972 5.816 ( -0.596 0.560 -0.933) 1.241 6.114 ( -4.253 -3.461 -2.702) 6.112 6.237 ( 3.494 -5.301 0.619) 6.378 7.137 ( -2.423 13.454 4.836) 14.501 7.333 ( 22.837 1.083 -3.621) 23.148 7.679 ( -0.382 0.594 -1.549) 1.703 8.134 ( -9.446 -6.427 4.491) 12.276 8.318 ( -1.823 13.082 3.195) 13.590 8.877 ( 2.410 -6.575 -4.148) 8.140 9.429 ( 2.826 5.367 0.383) 6.078 10.330 ( -1.122 -6.402 -0.201) 6.502 10.467 ( 2.709 1.654 -0.644) 3.238 11.168 ( -5.596 -3.658 2.038) 6.989 20.311 ( 3.058 -0.009 0.369) 3.080 20.382 ( -1.953 0.426 -0.296) 2.021 20.494 ( 1.102 0.227 -0.512) 1.236 20.592 ( -2.791 -0.964 0.271) 2.966 24.859 ( -0.797 -1.179 -0.263) 1.447 25.476 ( 0.137 0.231 0.059) 0.275 32.468 ( -0.587 0.127 -0.242) 0.648 32.513 ( 0.272 0.115 0.354) 0.460 42.604 ( 9.129 1.277 5.979) 10.987 43.406 ( -4.236 7.559 -7.696) 11.590 44.255 ( -5.321 -12.824 -3.742) 14.379 45.517 ( 7.400 13.900 5.616) 16.718 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 4.407 -3.379 -1.322) 5.708 3.472 ( -4.173 -17.528 6.432) 19.132 3.738 ( 10.842 -4.305 -7.979) 14.133 3.994 ( -6.688 1.671 5.719) 8.957 4.208 ( -9.745 11.523 -1.150) 15.135 4.484 ( -6.184 3.898 -2.492) 7.723 4.882 ( -4.800 -17.352 -0.078) 18.004 5.196 ( 5.110 4.652 0.256) 6.915 5.926 ( 4.516 10.411 1.374) 11.431 6.012 ( -0.598 -1.656 0.281) 1.783 6.220 ( 2.725 -9.586 -1.218) 10.040 7.180 ( -7.072 10.303 -0.177) 12.498 7.517 ( -0.825 -1.036 3.062) 3.337 7.709 ( 2.835 -12.603 -2.069) 13.083 7.985 ( 1.641 6.071 -1.677) 6.509 8.389 ( -2.312 2.395 0.257) 3.339 8.879 ( 2.175 3.072 1.120) 3.927 9.522 ( 2.862 2.942 -0.070) 4.105 10.270 ( -0.865 -2.683 -0.970) 2.982 10.553 ( 4.369 3.241 0.752) 5.491 11.097 ( -0.830 0.942 -0.077) 1.257 20.363 ( 2.069 0.904 0.458) 2.304 20.368 ( -0.358 1.098 -0.469) 1.246 20.501 ( 0.446 -1.350 -0.018) 1.421 20.548 ( -1.462 -0.242 0.028) 1.482 24.836 ( -0.601 -1.061 -0.000) 1.219 25.480 ( 0.096 0.172 0.000) 0.197 32.457 ( -0.520 -0.215 -0.001) 0.562 32.525 ( 0.602 0.648 0.000) 0.884 42.730 ( -0.874 6.447 0.270) 6.511 43.405 ( 3.476 -2.351 -0.757) 4.264 43.952 ( -11.831 -16.943 0.535) 20.672 45.826 ( 10.407 15.366 -0.046) 18.559 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 9.822 11.695 0.345) 15.277 3.122 ( 15.934 -5.500 9.320) 19.262 3.457 ( 5.506 3.006 4.743) 7.864 3.964 ( 2.394 11.879 9.642) 15.486 4.153 ( -13.759 6.606 9.943) 18.216 4.369 ( 8.251 -3.301 -2.902) 9.349 4.617 ( 1.182 2.163 6.149) 6.625 5.297 ( -18.494 -10.233 3.347) 21.400 5.869 ( -8.446 6.564 -2.697) 11.032 5.913 ( -3.758 8.092 -2.553) 9.280 6.123 ( -0.594 2.577 3.940) 4.745 6.826 ( 3.685 1.799 -4.780) 6.298 7.166 ( -13.423 5.824 -11.188) 18.420 7.560 ( 0.186 12.414 -0.150) 12.417 8.231 ( -13.537 0.118 1.182) 13.589 8.352 ( 4.283 5.111 2.018) 6.967 8.744 ( -2.916 -4.689 2.710) 6.151 9.389 ( -7.353 5.056 -6.676) 11.145 10.228 ( 2.277 3.760 2.390) 5.004 10.725 ( 10.473 -8.419 -2.229) 13.621 11.841 ( 3.559 -15.941 -6.491) 17.576 20.291 ( 2.986 0.420 -1.453) 3.347 20.393 ( 1.697 0.409 1.179) 2.107 20.484 ( -3.417 -1.559 -1.314) 3.979 20.680 ( -0.492 -1.108 0.398) 1.276 24.863 ( 1.634 -1.019 2.161) 2.894 25.476 ( 0.026 -0.021 -0.205) 0.208 32.451 ( 0.880 -0.320 0.143) 0.947 32.564 ( -0.007 -0.647 -0.950) 1.149 42.652 ( 7.098 7.922 -12.360) 16.307 43.049 ( -12.003 -1.609 10.144) 15.798 43.426 ( 4.224 13.712 17.500) 22.629 46.056 ( -19.941 1.205 -23.027) 30.485 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 14.064 13.753 5.438) 20.409 3.339 ( 3.689 -9.661 12.912) 16.543 3.501 ( -7.588 0.733 8.845) 11.677 3.962 ( -14.218 11.793 3.585) 18.817 4.245 ( 2.151 21.819 4.655) 22.413 4.518 ( 10.633 0.553 2.376) 10.910 4.669 ( 1.181 -0.069 -0.212) 1.202 4.941 ( -5.904 -10.412 -6.898) 13.815 5.728 ( -10.413 6.479 -2.213) 12.462 5.973 ( -2.032 0.716 8.632) 8.896 6.163 ( 0.236 11.836 -1.355) 11.915 6.872 ( -6.003 6.207 -6.261) 10.666 7.045 ( 0.724 7.922 -6.847) 10.496 7.702 ( 3.305 8.286 0.043) 8.921 7.948 ( -18.863 3.336 -2.680) 19.342 8.372 ( -2.258 -1.746 -1.332) 3.149 8.762 ( 0.722 2.173 8.663) 8.960 9.303 ( -4.320 4.273 -5.715) 8.341 10.311 ( 0.934 3.745 2.335) 4.511 10.811 ( 11.948 -10.566 -3.865) 16.411 11.645 ( -0.934 -20.172 -3.349) 20.469 20.334 ( 1.989 -0.185 -2.022) 2.842 20.394 ( -2.934 -0.875 -0.285) 3.075 20.462 ( 3.781 0.476 1.128) 3.974 20.650 ( -1.391 -1.843 0.267) 2.325 24.890 ( 1.585 -1.305 1.891) 2.791 25.476 ( 0.112 -0.167 -0.190) 0.277 32.464 ( 0.821 -0.164 -0.159) 0.852 32.551 ( 0.208 -1.292 -0.664) 1.468 42.621 ( -11.699 -2.831 -0.774) 12.061 43.076 ( 7.761 15.527 -4.885) 18.033 43.792 ( 8.431 16.606 21.699) 28.595 45.558 ( -24.366 0.652 -24.435) 34.514 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -36.220 -10.959 9.182) 38.940 3.048 ( 12.683 7.328 7.378) 16.401 3.636 ( -0.434 2.582 18.292) 18.479 3.814 ( -14.264 4.528 -1.089) 15.005 4.506 ( -1.706 12.147 1.784) 12.395 4.654 ( 4.704 3.658 -0.612) 5.990 4.671 ( 10.764 -2.690 -9.367) 14.520 5.007 ( 16.734 7.153 -8.585) 20.122 5.635 ( -8.903 9.641 -0.673) 13.140 5.930 ( -1.816 -5.370 5.488) 7.891 6.367 ( 3.978 15.908 1.253) 16.446 6.762 ( -6.872 4.694 -6.748) 10.714 7.105 ( -4.335 5.279 3.752) 7.794 7.635 ( -15.299 9.703 -4.996) 18.792 7.874 ( 1.039 10.001 -5.115) 11.281 8.340 ( 4.484 -3.976 -0.824) 6.050 8.808 ( -3.525 0.624 9.732) 10.370 9.271 ( -1.447 4.351 -4.177) 6.203 10.339 ( -1.263 1.284 0.268) 1.821 10.829 ( 5.975 -15.477 -3.873) 17.037 11.478 ( 2.984 -13.634 3.037) 14.284 20.295 ( -2.827 -1.742 -0.238) 3.330 20.387 ( 1.509 -0.281 -0.612) 1.653 20.543 ( 3.286 0.258 -0.112) 3.298 20.615 ( -0.313 -0.644 0.291) 0.773 24.908 ( 1.180 -1.513 1.262) 2.296 25.474 ( 0.094 -0.257 -0.153) 0.314 32.472 ( 0.538 -0.081 -0.579) 0.795 32.540 ( 0.326 -1.482 -0.160) 1.526 42.358 ( -14.287 -3.270 3.253) 15.013 43.394 ( 13.300 16.526 -10.806) 23.807 44.197 ( 6.402 13.696 19.949) 25.031 45.073 ( -20.434 6.700 -19.907) 29.304 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -27.112 -2.827 6.541) 28.033 3.215 ( -5.887 -8.438 4.355) 11.173 3.534 ( 0.890 -2.212 9.458) 9.754 3.827 ( -2.393 11.484 3.004) 12.109 4.415 ( -4.336 -6.118 -4.160) 8.575 4.659 ( 2.615 -5.221 -9.967) 11.552 5.017 ( 16.890 8.801 3.712) 19.404 5.300 ( 5.334 15.666 -11.540) 20.176 5.631 ( 0.551 5.303 6.472) 8.385 5.918 ( 0.938 2.162 -4.171) 4.791 6.496 ( -4.503 10.169 -1.340) 11.201 6.711 ( -0.767 1.529 2.049) 2.670 7.046 ( -9.444 6.004 4.520) 12.069 7.508 ( -10.467 14.512 -8.457) 19.791 7.983 ( 3.227 11.013 -0.671) 11.495 8.416 ( 8.080 -5.517 -2.028) 9.992 8.761 ( -4.930 -3.275 8.930) 10.713 9.293 ( 0.062 5.780 -2.477) 6.289 10.316 ( -0.855 -0.044 -1.850) 2.039 10.698 ( -0.534 -15.403 -0.265) 15.415 11.486 ( 5.228 -8.548 6.345) 11.860 20.238 ( -1.948 -1.674 0.792) 2.688 20.404 ( 1.169 -0.079 -0.792) 1.415 20.540 ( -1.029 -0.828 -0.598) 1.450 20.656 ( 2.881 0.779 0.099) 2.986 24.912 ( 0.574 -1.575 0.443) 1.733 25.473 ( 0.019 -0.181 -0.081) 0.199 32.474 ( 0.243 -0.139 -0.955) 0.996 32.533 ( 0.185 -1.053 0.434) 1.154 42.155 ( -8.261 -2.157 4.521) 9.661 43.675 ( 9.363 10.343 -9.509) 16.884 44.296 ( -6.703 3.313 -12.938) 14.943 44.991 ( -1.893 19.757 12.560) 23.488 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 4.068 1.224 1.519) 4.511 2.928 ( -5.218 -16.666 1.749) 17.552 3.711 ( 7.971 -1.012 8.924) 12.009 3.853 ( -6.914 7.384 -2.639) 10.454 4.282 ( 0.736 -6.112 -6.554) 8.992 4.577 ( -0.757 -2.046 -6.965) 7.298 5.242 ( -6.377 6.465 -4.008) 9.926 5.426 ( 12.502 2.238 4.605) 13.510 5.835 ( -11.156 3.965 -8.206) 14.405 5.891 ( 18.313 6.856 -0.156) 19.555 6.465 ( -9.227 5.243 -8.195) 13.408 6.763 ( -2.992 12.312 13.041) 18.183 6.968 ( -5.140 0.312 1.208) 5.289 7.511 ( 1.013 11.551 -6.055) 13.081 8.170 ( 4.999 8.483 2.294) 10.110 8.420 ( -1.361 -2.694 -0.172) 3.023 8.721 ( 2.294 -7.169 4.245) 8.641 9.352 ( -0.300 8.153 -0.655) 8.185 10.307 ( 1.688 -1.289 -2.466) 3.254 10.544 ( -2.556 -11.085 2.399) 11.626 11.493 ( -0.166 -6.970 6.931) 9.831 20.209 ( -0.191 -1.465 0.865) 1.712 20.416 ( 0.978 -0.257 -0.965) 1.397 20.516 ( -1.599 0.893 -0.063) 1.832 20.692 ( 0.774 -0.069 -0.123) 0.787 24.902 ( -0.005 -1.516 -0.358) 1.558 25.472 ( -0.011 0.029 0.030) 0.043 32.471 ( 0.194 -0.033 -1.100) 1.117 32.529 ( -0.210 -0.429 0.901) 1.020 42.100 ( 0.834 -1.618 6.056) 6.324 43.766 ( -3.242 5.202 -5.993) 8.572 44.155 ( 2.977 2.113 -27.482) 27.724 45.286 ( -0.510 18.385 24.772) 30.853 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 18.160 -8.916 -2.991) 20.450 2.909 ( 15.866 -3.085 0.626) 16.175 3.719 ( -9.083 -2.206 4.449) 10.352 3.764 ( 4.019 -12.338 -6.764) 14.633 4.269 ( 4.609 -0.931 -5.213) 7.021 4.606 ( 4.381 6.653 -1.564) 8.118 5.092 ( -13.145 6.071 -4.742) 15.236 5.582 ( -7.715 -2.636 -1.051) 8.220 5.727 ( 11.487 -0.726 1.060) 11.558 6.140 ( -14.154 6.396 0.190) 15.533 6.340 ( 11.451 2.132 -10.231) 15.503 6.765 ( -6.384 5.076 3.374) 8.826 7.084 ( 6.259 9.779 6.807) 13.458 7.641 ( 4.268 5.214 -1.464) 6.896 8.256 ( -0.199 -2.374 3.352) 4.112 8.414 ( -1.103 6.940 0.844) 7.077 8.710 ( 4.597 -10.135 0.422) 11.137 9.425 ( -1.259 8.446 1.254) 8.630 10.294 ( 2.337 -6.692 -2.826) 7.631 10.456 ( -1.773 -0.592 3.299) 3.792 11.414 ( -5.990 -4.809 6.058) 9.783 20.214 ( 1.836 -0.999 0.626) 2.182 20.422 ( 0.618 -0.597 -0.735) 1.131 20.502 ( -1.970 2.355 0.250) 3.080 20.680 ( -1.579 -0.760 -0.140) 1.758 24.880 ( -0.374 -1.398 -0.921) 1.715 25.473 ( 0.028 0.222 0.140) 0.264 32.470 ( 0.271 0.276 -1.065) 1.133 32.526 ( -0.613 0.037 1.188) 1.337 42.208 ( 9.229 -1.639 7.803) 12.196 43.668 ( -8.345 7.051 -10.912) 15.441 44.123 ( 8.414 -5.981 -21.908) 24.219 45.539 ( -4.080 15.350 24.860) 29.501 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 14.294 -7.341 -4.667) 16.733 3.215 ( 14.048 -1.270 -1.759) 14.214 3.544 ( -2.977 -19.059 2.829) 19.496 3.766 ( 16.565 -0.587 -6.575) 17.832 4.301 ( 0.640 -1.239 -3.967) 4.205 4.745 ( 3.620 3.264 -2.223) 5.357 4.935 ( -8.306 6.017 -2.300) 10.511 5.383 ( -13.112 0.921 -0.379) 13.149 5.855 ( -3.521 -2.972 -0.513) 4.636 5.971 ( 4.607 -1.964 3.606) 6.171 6.331 ( -8.489 1.561 -5.169) 10.060 6.975 ( 18.555 5.150 -1.763) 19.337 7.263 ( 2.538 4.815 4.992) 7.385 7.685 ( -1.191 0.616 -2.620) 2.944 8.221 ( -3.489 -5.026 7.976) 10.053 8.458 ( -1.832 6.597 -1.438) 6.996 8.705 ( 6.568 -8.676 -0.440) 10.891 9.482 ( -0.847 5.702 2.440) 6.260 10.259 ( 1.530 -2.930 -2.016) 3.872 10.492 ( 0.333 5.857 2.761) 6.484 11.276 ( -8.485 -2.871 3.921) 9.778 20.258 ( 3.446 0.119 0.668) 3.512 20.412 ( -1.138 -0.185 -0.007) 1.153 20.502 ( -0.909 2.354 -0.107) 2.525 20.629 ( -2.839 -1.433 -0.255) 3.190 24.855 ( -0.472 -1.279 -1.086) 1.743 25.478 ( 0.059 0.282 0.190) 0.346 32.472 ( 0.012 0.368 -0.863) 0.938 32.523 ( -0.586 0.470 1.174) 1.394 42.435 ( 13.572 -1.484 8.977) 16.340 43.527 ( -7.912 5.052 -14.135) 16.968 44.062 ( 5.095 -12.127 -13.460) 18.820 45.722 ( -4.060 14.498 20.085) 25.102 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 5.215 3.768 -2.387) 6.863 3.303 ( 1.450 -21.890 6.319) 22.830 3.370 ( 14.352 -10.787 -10.640) 20.870 4.137 ( 14.422 6.400 3.661) 16.198 4.194 ( -4.867 0.167 -7.441) 8.893 4.719 ( 0.867 -12.328 -5.973) 13.726 4.808 ( -17.147 3.454 0.622) 17.503 5.219 ( -3.180 -0.345 0.653) 3.264 5.828 ( 4.279 -5.343 7.464) 10.127 6.061 ( 3.575 0.560 -0.915) 3.733 6.200 ( -6.674 4.859 -2.899) 8.750 7.198 ( 7.847 -5.687 -6.065) 11.432 7.432 ( 10.804 5.441 6.794) 13.874 7.614 ( -3.377 -1.797 -4.874) 6.196 8.105 ( -8.351 -4.625 8.058) 12.492 8.454 ( -3.195 2.853 -4.173) 5.981 8.767 ( 8.796 -6.109 0.311) 10.713 9.553 ( 0.941 6.095 2.852) 6.795 10.264 ( 0.448 0.850 -0.726) 1.204 10.589 ( -0.709 9.670 3.374) 10.266 11.147 ( -4.651 -0.000 0.295) 4.660 20.334 ( 3.615 1.818 0.963) 4.160 20.390 ( -1.358 0.461 0.299) 1.465 20.499 ( -1.452 0.084 -0.273) 1.480 20.571 ( -1.716 -0.729 -0.488) 1.928 24.831 ( -0.336 -1.178 -0.826) 1.478 25.482 ( 0.019 0.222 0.160) 0.274 32.465 ( -0.635 0.023 -0.394) 0.747 32.530 ( -0.019 1.029 0.682) 1.235 42.692 ( 11.252 0.215 8.180) 13.913 43.355 ( -4.718 -3.185 -13.833) 14.958 43.909 ( -2.912 -14.075 -4.015) 14.923 45.922 ( 0.878 16.323 11.542) 20.011 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 9.638 8.652 -1.219) 13.009 2.871 ( 13.431 6.853 4.078) 15.620 3.421 ( 8.764 0.900 7.589) 11.628 3.915 ( 11.571 -8.271 -0.037) 14.223 4.125 ( 1.684 1.586 0.548) 2.377 4.479 ( -1.623 12.424 5.934) 13.864 4.757 ( -6.241 0.852 15.080) 16.343 5.537 ( -14.059 -7.912 2.681) 16.353 5.838 ( 8.843 4.285 -5.942) 11.484 6.109 ( -8.428 4.637 2.221) 9.872 6.142 ( -0.352 -2.046 2.012) 2.891 6.817 ( -2.952 1.322 -1.823) 3.713 7.316 ( -2.967 3.992 -6.782) 8.411 7.670 ( -2.594 3.695 -1.764) 4.847 8.331 ( 4.397 6.254 -0.745) 7.681 8.426 ( -7.681 0.772 0.349) 7.727 8.709 ( 3.264 -3.881 -0.328) 5.082 9.543 ( -8.372 3.159 -5.734) 10.628 10.205 ( 3.600 0.070 2.561) 4.419 10.531 ( 2.616 -2.996 -1.255) 4.170 11.639 ( 0.500 -10.862 -7.112) 12.993 20.246 ( 2.066 0.846 -1.375) 2.622 20.387 ( 0.549 1.093 1.436) 1.886 20.527 ( -3.577 -0.970 -1.318) 3.934 20.671 ( -0.060 -1.935 0.469) 1.992 24.838 ( 1.439 -0.803 1.598) 2.295 25.478 ( -0.240 0.167 -0.146) 0.327 32.444 ( 0.212 0.274 0.626) 0.715 32.560 ( -0.683 -0.363 -0.993) 1.259 42.535 ( 8.317 8.239 -12.675) 17.254 43.243 ( -6.027 -3.729 13.466) 15.217 43.550 ( 3.680 8.305 15.974) 18.376 46.249 ( -15.950 -0.763 -19.301) 25.051 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 14.365 6.242 3.196) 15.986 3.182 ( 11.434 5.576 7.164) 14.600 3.621 ( 2.302 9.762 5.206) 11.300 4.029 ( 12.319 -10.328 -3.856) 16.531 4.274 ( 9.225 9.782 5.553) 14.547 4.584 ( -2.506 11.318 2.773) 11.919 4.721 ( -4.872 2.833 5.120) 7.614 5.106 ( -25.720 -9.896 0.502) 27.563 5.881 ( -4.771 -5.637 -0.750) 7.423 6.028 ( 0.164 5.993 3.532) 6.958 6.206 ( 1.335 2.620 1.264) 3.200 6.931 ( 7.600 14.398 -3.350) 16.622 7.193 ( -11.561 5.840 -7.830) 15.135 7.691 ( 2.205 0.571 0.414) 2.315 8.236 ( -14.020 -1.292 1.830) 14.198 8.416 ( -0.713 4.488 -5.975) 7.506 8.754 ( 3.910 -0.446 5.668) 6.900 9.414 ( -6.951 4.009 -5.549) 9.756 10.312 ( 5.559 0.912 3.754) 6.769 10.534 ( 4.760 -6.676 -3.401) 8.877 11.470 ( -1.028 -14.784 -4.706) 15.549 20.291 ( 2.444 1.482 -1.430) 3.196 20.418 ( 0.603 -1.367 0.493) 1.573 20.449 ( -2.586 0.872 0.039) 2.730 20.646 ( -0.528 -2.571 0.356) 2.649 24.862 ( 1.439 -0.962 1.356) 2.199 25.475 ( -0.175 0.129 -0.168) 0.275 32.455 ( 0.396 0.265 0.434) 0.645 32.539 ( -0.443 -0.827 -0.870) 1.280 42.677 ( 3.006 6.265 -10.116) 12.273 43.166 ( -4.897 4.171 6.754) 9.327 43.868 ( 10.614 10.197 19.971) 24.809 45.814 ( -20.832 -2.310 -19.846) 28.865 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 14.077 -4.281 5.000) 15.540 3.306 ( -11.635 2.815 9.203) 15.099 3.716 ( 0.392 2.875 8.731) 9.201 4.112 ( -4.841 4.786 2.653) 7.307 4.419 ( 3.736 -8.052 -10.734) 13.928 4.571 ( -9.440 -15.248 -3.379) 18.249 4.750 ( 2.188 23.656 0.346) 23.760 4.854 ( 6.160 14.872 -0.971) 16.127 5.754 ( -2.940 -3.591 -0.103) 4.642 6.012 ( -6.772 -0.367 6.022) 9.070 6.353 ( 8.465 5.661 0.778) 10.213 6.982 ( -13.704 6.400 -7.438) 16.855 7.229 ( 5.080 17.855 1.991) 18.669 7.739 ( 4.915 -3.241 -1.105) 5.990 7.995 ( -13.537 1.592 0.040) 13.630 8.354 ( -5.179 3.808 -7.386) 9.792 8.845 ( 2.694 -3.403 8.530) 9.571 9.345 ( -3.810 5.834 -3.692) 7.885 10.389 ( -1.399 1.995 2.287) 3.341 10.540 ( 8.709 -12.112 -1.719) 15.017 11.322 ( 1.758 -11.040 -0.897) 11.215 20.322 ( -0.642 0.600 -0.883) 1.246 20.366 ( -0.699 -1.365 0.115) 1.538 20.495 ( 2.860 1.279 0.584) 3.187 20.612 ( -0.563 -1.956 -0.006) 2.036 24.880 ( 1.221 -1.157 0.751) 1.842 25.473 ( -0.113 0.093 -0.118) 0.189 32.464 ( 0.292 0.132 -0.060) 0.326 32.524 ( 0.056 -0.821 -0.356) 0.897 42.575 ( -12.024 -1.936 0.718) 12.200 43.309 ( 8.585 14.176 -7.105) 18.032 44.241 ( 10.404 5.286 16.891) 20.530 45.369 ( -19.128 3.593 -13.582) 23.733 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -24.889 -4.430 9.010) 26.838 3.189 ( 0.956 0.619 3.706) 3.878 3.621 ( -12.750 -10.627 5.837) 17.595 4.011 ( -5.902 9.138 2.177) 11.094 4.320 ( -0.500 -8.631 -13.253) 15.823 4.451 ( 8.495 -7.609 -9.576) 14.892 5.004 ( 2.916 15.686 2.856) 16.209 5.167 ( 13.321 10.767 -5.161) 17.889 5.756 ( 1.326 3.173 -0.898) 3.554 5.920 ( -4.461 1.154 4.644) 6.542 6.547 ( 7.762 2.988 2.742) 8.757 6.783 ( -9.673 2.062 -4.392) 10.822 7.355 ( -11.635 10.449 5.993) 16.747 7.797 ( -7.676 11.132 -3.310) 13.922 7.869 ( 7.864 -2.871 -4.559) 9.533 8.309 ( 1.032 2.282 -4.063) 4.773 8.834 ( -2.778 -7.124 8.147) 11.174 9.363 ( -1.138 8.430 -0.798) 8.544 10.354 ( -3.639 1.428 -0.992) 4.033 10.538 ( 4.053 -12.211 2.654) 13.137 11.325 ( 7.206 -6.559 2.820) 10.144 20.276 ( -3.174 -0.672 0.800) 3.342 20.380 ( 1.428 0.314 -0.482) 1.539 20.531 ( 0.694 -0.784 -0.144) 1.057 20.617 ( 2.403 0.436 -0.073) 2.444 24.887 ( 0.823 -1.320 -0.071) 1.557 25.472 ( -0.068 0.119 -0.004) 0.137 32.465 ( 0.101 -0.138 -0.685) 0.706 32.523 ( 0.415 -0.300 0.422) 0.663 42.340 ( -13.059 -2.589 4.288) 13.987 43.559 ( 9.974 12.245 -11.910) 19.781 44.331 ( -3.958 -6.373 -6.547) 9.957 45.266 ( -2.595 16.437 12.132) 20.594 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -26.424 4.953 6.058) 27.558 2.967 ( -15.992 -14.352 -1.752) 21.559 3.562 ( 8.767 -6.656 3.108) 11.437 4.026 ( -5.886 5.785 -0.231) 8.256 4.168 ( 0.436 -4.749 -10.376) 11.420 4.464 ( 5.925 -3.759 -9.492) 11.804 5.147 ( 6.197 -1.070 2.934) 6.939 5.450 ( 8.213 10.431 -13.956) 19.263 5.704 ( -1.071 -2.713 6.901) 7.492 5.986 ( -1.886 8.482 -2.333) 8.997 6.602 ( -4.174 4.454 -4.835) 7.787 6.801 ( 8.886 -0.821 9.630) 13.129 7.190 ( -14.439 1.078 4.906) 15.287 7.674 ( -9.808 9.648 -6.477) 15.206 8.071 ( 9.941 4.245 -0.637) 10.828 8.372 ( 4.620 1.292 -1.780) 5.117 8.720 ( -4.752 -9.508 6.532) 12.476 9.449 ( -0.096 9.692 1.770) 9.852 10.304 ( -3.155 1.043 -1.199) 3.533 10.487 ( 0.667 -7.431 3.296) 8.157 11.414 ( 6.120 -5.052 5.483) 9.645 20.225 ( -2.422 -0.755 1.002) 2.727 20.399 ( 0.684 0.437 -0.789) 1.132 20.533 ( 0.295 0.199 0.301) 0.466 20.667 ( 2.277 0.426 -0.170) 2.323 24.881 ( 0.362 -1.394 -0.895) 1.695 25.474 ( -0.033 0.211 0.128) 0.249 32.462 ( 0.170 0.009 -0.953) 0.969 32.532 ( 0.255 0.131 0.959) 1.001 42.167 ( -7.121 -2.136 5.813) 9.438 43.730 ( 6.363 6.230 -11.362) 14.436 44.077 ( -7.236 -5.152 -19.801) 21.703 45.560 ( 2.959 15.711 24.963) 29.644 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -7.720 -0.211 2.027) 7.985 2.695 ( 2.763 -4.976 -2.295) 6.137 3.533 ( 1.908 -17.831 -6.753) 19.162 3.887 ( -10.472 -1.862 -1.375) 10.724 4.177 ( 4.233 2.867 -5.855) 7.773 4.541 ( 8.020 4.227 -5.612) 10.662 5.221 ( 1.357 -2.722 -4.881) 5.751 5.429 ( 1.642 -3.897 -1.541) 4.501 5.759 ( -1.963 -3.079 -1.881) 4.108 6.086 ( 10.261 10.944 -2.507) 15.210 6.463 ( -13.730 0.134 -2.638) 13.982 6.977 ( -2.885 -1.261 2.714) 4.156 7.050 ( 2.103 2.948 8.765) 9.484 7.653 ( -0.419 7.217 -1.728) 7.433 8.222 ( 3.661 2.749 0.250) 4.585 8.438 ( 2.635 0.342 -0.146) 2.661 8.583 ( -0.771 -13.015 3.623) 13.532 9.534 ( -1.249 5.922 3.474) 6.979 10.257 ( -2.568 1.414 -1.319) 3.214 10.481 ( 0.794 1.265 2.732) 3.114 11.462 ( 0.102 -3.115 6.866) 7.540 20.197 ( -0.468 -0.596 0.776) 1.084 20.409 ( 0.496 0.799 -0.934) 1.326 20.544 ( -0.341 0.982 0.879) 1.361 20.689 ( -0.026 0.086 -0.150) 0.175 24.864 ( -0.015 -1.368 -1.496) 2.027 25.477 ( -0.001 0.304 0.222) 0.377 32.463 ( 0.318 0.480 -1.027) 1.178 32.542 ( -0.188 0.396 1.322) 1.392 42.133 ( 1.731 -1.982 7.205) 7.671 43.762 ( -3.048 1.360 -7.691) 8.384 43.855 ( 2.264 -4.150 -25.073) 25.515 45.854 ( -0.738 12.291 26.988) 29.664 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 11.257 -4.926 0.548) 12.300 2.931 ( 19.738 3.312 -4.034) 20.417 3.307 ( 2.687 -22.262 -7.904) 23.776 3.663 ( -7.883 -4.807 -2.114) 9.472 4.243 ( 2.929 1.862 -5.428) 6.443 4.694 ( 5.193 3.736 -4.189) 7.647 5.096 ( -7.035 2.265 -7.488) 10.521 5.426 ( -0.027 -11.811 2.005) 11.980 5.728 ( 5.904 -1.169 2.131) 6.384 6.150 ( -13.374 -3.557 -1.860) 13.963 6.352 ( 4.064 5.634 -4.574) 8.317 6.904 ( -2.579 6.126 1.285) 6.770 7.201 ( 6.979 -4.526 6.340) 10.459 7.698 ( -0.437 1.493 -1.890) 2.448 8.259 ( -1.288 -0.770 3.531) 3.837 8.470 ( 2.829 -3.046 0.661) 4.209 8.506 ( 4.729 -11.272 0.939) 12.259 9.559 ( -1.429 1.726 4.044) 4.623 10.244 ( -0.961 3.259 -1.504) 3.716 10.572 ( 1.614 10.934 2.058) 11.242 11.419 ( -7.019 -1.172 6.932) 9.934 20.213 ( 2.241 0.325 0.754) 2.387 20.421 ( 0.095 1.081 -0.446) 1.173 20.547 ( -1.052 1.415 0.769) 1.923 20.662 ( -2.705 -0.700 -0.307) 2.811 24.840 ( -0.195 -1.290 -1.711) 2.151 25.481 ( 0.012 0.325 0.254) 0.413 32.470 ( 0.265 0.849 -0.995) 1.335 32.547 ( -0.616 0.660 1.480) 1.734 42.256 ( 10.002 -2.122 8.622) 13.374 43.582 ( -6.319 -3.234 -18.670) 19.974 43.808 ( 5.391 -4.946 -11.984) 14.041 46.048 ( -4.795 10.668 24.944) 27.550 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 19.703 3.576 -0.453) 20.030 2.983 ( 6.658 -19.528 -12.768) 24.263 3.183 ( -3.570 -12.380 5.350) 13.951 3.788 ( 26.341 2.497 -2.221) 26.552 4.223 ( -2.301 -1.553 -7.549) 8.043 4.651 ( -4.828 -5.751 -5.074) 9.063 5.041 ( -5.278 6.142 -1.716) 8.278 5.215 ( -6.991 -15.994 0.296) 17.458 5.834 ( -0.384 -2.355 3.859) 4.537 5.984 ( 1.902 -0.920 2.946) 3.626 6.346 ( -4.624 5.919 -5.255) 9.166 6.975 ( 5.542 -5.197 -2.258) 7.926 7.307 ( 9.151 -2.733 7.165) 11.939 7.647 ( -2.854 0.382 -7.191) 7.746 8.192 ( -4.382 -7.445 5.897) 10.460 8.480 ( 0.229 -0.752 -2.652) 2.766 8.527 ( 8.767 -10.585 2.627) 13.993 9.594 ( 1.265 2.016 3.748) 4.439 10.264 ( 0.543 2.524 -1.011) 2.773 10.768 ( 1.510 21.012 1.860) 21.148 11.278 ( -11.240 -1.206 4.816) 12.288 20.287 ( 4.478 2.010 1.130) 5.036 20.422 ( -1.216 1.054 0.414) 1.662 20.545 ( -1.968 1.911 0.128) 2.746 20.589 ( -3.076 -2.095 -0.750) 3.797 24.817 ( -0.135 -1.211 -1.478) 1.916 25.485 ( -0.024 0.266 0.231) 0.353 32.474 ( -0.321 0.745 -0.710) 1.078 32.551 ( -0.590 1.104 1.214) 1.743 42.496 ( 14.634 -2.150 9.712) 17.695 43.315 ( -6.646 -9.184 -18.699) 21.867 43.781 ( 2.437 -5.871 -6.224) 8.896 46.183 ( -4.714 12.093 18.806) 22.850 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 7.955 6.977 -4.469) 11.486 2.836 ( 9.539 11.427 8.077) 16.936 3.217 ( 18.131 2.171 2.807) 18.475 3.656 ( 4.775 -12.036 -0.546) 12.960 4.156 ( 0.771 2.247 5.994) 6.447 4.615 ( -0.280 6.115 5.882) 8.489 4.942 ( -5.903 1.091 11.875) 13.306 5.469 ( 10.192 -7.072 -3.181) 12.806 5.775 ( 2.349 4.162 -3.831) 6.125 6.120 ( -0.369 -5.738 1.810) 6.028 6.282 ( -6.371 0.940 4.462) 7.835 6.912 ( -6.087 0.429 0.075) 6.102 7.291 ( 6.060 3.637 -5.173) 8.758 7.683 ( -0.944 -4.367 0.148) 4.470 8.281 ( 6.261 -0.329 0.792) 6.320 8.475 ( 3.510 -0.594 0.612) 3.613 8.564 ( 7.824 0.249 -7.095) 10.565 9.619 ( -2.344 -0.914 -3.537) 4.340 10.219 ( -3.278 1.172 1.799) 3.918 10.587 ( -7.935 6.545 -0.031) 10.286 11.542 ( -4.410 -7.697 -8.548) 12.319 20.228 ( 0.907 2.151 -1.164) 2.608 20.410 ( -1.030 1.332 0.939) 1.928 20.561 ( -1.785 -0.647 -0.991) 2.141 20.656 ( -0.868 -2.926 0.518) 3.096 24.815 ( 1.282 -0.703 1.466) 2.070 25.484 ( -0.300 0.183 -0.131) 0.375 32.456 ( -0.573 0.695 0.861) 1.246 32.567 ( -1.068 -0.186 -1.125) 1.563 42.410 ( 8.273 7.914 -11.294) 16.082 43.300 ( 2.482 -6.793 16.875) 18.360 43.632 ( 2.448 4.297 11.622) 12.631 46.386 ( -12.747 -0.830 -18.590) 22.556 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 10.890 8.213 0.345) 13.644 3.137 ( 9.856 8.352 8.195) 15.299 3.582 ( 21.569 -6.612 -2.087) 22.656 3.711 ( 4.573 12.720 0.510) 13.526 4.235 ( 4.273 1.201 4.450) 6.285 4.679 ( 0.492 1.190 5.969) 6.107 4.884 ( -7.468 1.939 4.749) 9.060 5.372 ( -10.264 -10.644 0.878) 14.812 5.860 ( 0.564 1.150 -1.039) 1.649 6.029 ( 2.554 -0.875 -3.766) 4.634 6.245 ( -3.888 -2.531 5.453) 7.160 6.957 ( 4.442 13.860 0.115) 14.554 7.342 ( -2.822 4.259 -4.585) 6.864 7.650 ( 1.098 -3.878 1.924) 4.466 8.340 ( 2.538 -3.049 -6.788) 7.862 8.431 ( -5.448 -0.283 2.031) 5.821 8.699 ( 7.093 2.256 -0.304) 7.449 9.529 ( -5.856 1.532 -3.557) 7.021 10.230 ( 2.342 0.782 1.664) 2.978 10.524 ( -4.871 3.265 -1.356) 6.019 11.348 ( -2.618 -11.479 -5.191) 12.867 20.272 ( 1.628 3.099 -1.136) 3.680 20.409 ( -0.387 -0.388 0.342) 0.646 20.503 ( -3.132 -0.223 -0.216) 3.148 20.623 ( 0.062 -3.242 0.489) 3.279 24.837 ( 1.265 -0.814 1.202) 1.926 25.480 ( -0.274 0.186 -0.159) 0.368 32.459 ( -0.160 0.384 0.760) 0.866 32.540 ( -0.972 -0.450 -1.033) 1.488 42.596 ( 8.479 10.479 -11.722) 17.863 43.307 ( -3.716 -4.133 13.757) 14.837 43.849 ( 9.861 4.227 14.303) 17.880 46.019 ( -17.314 -1.476 -17.866) 24.923 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 9.356 -1.304 3.105) 9.944 3.443 ( 8.187 10.208 9.824) 16.363 3.714 ( 8.271 -5.327 -6.605) 11.849 4.008 ( 9.396 10.817 4.801) 15.111 4.263 ( -0.220 -10.210 -4.279) 11.073 4.699 ( -14.873 -11.227 -0.072) 18.635 4.837 ( 8.988 11.839 5.840) 15.970 5.075 ( -13.040 6.142 -2.592) 14.645 5.801 ( -6.214 0.420 1.134) 6.330 6.085 ( -0.050 -3.270 1.079) 3.444 6.239 ( 7.546 0.139 0.292) 7.553 7.188 ( -6.057 2.165 -1.708) 6.655 7.313 ( 5.311 20.873 -1.219) 21.572 7.655 ( 1.489 -2.952 1.680) 3.709 8.167 ( -9.083 -9.307 -0.230) 13.007 8.401 ( -1.518 1.922 -6.468) 6.916 8.813 ( 2.472 1.503 3.800) 4.776 9.449 ( -4.162 4.122 -2.179) 6.250 10.308 ( 6.240 -3.509 2.098) 7.461 10.475 ( -3.352 2.768 -1.195) 4.508 11.201 ( -0.117 -8.842 -2.234) 9.121 20.320 ( 1.287 2.556 -0.881) 2.994 20.379 ( -1.778 -1.643 0.111) 2.424 20.486 ( 0.268 1.296 0.615) 1.459 20.594 ( -0.119 -2.813 0.038) 2.816 24.853 ( 1.103 -0.983 0.591) 1.591 25.477 ( -0.214 0.191 -0.098) 0.303 32.463 ( 0.009 -0.057 0.344) 0.349 32.520 ( -0.460 -0.159 -0.554) 0.737 42.696 ( -2.177 4.107 -5.411) 7.134 43.314 ( 1.200 4.792 3.563) 6.091 44.131 ( 12.321 -3.017 11.686) 17.248 45.651 ( -16.971 4.983 -10.945) 20.801 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 11.798 -2.535 3.944) 12.696 3.503 ( -16.118 3.847 7.095) 18.026 3.753 ( -8.989 -6.803 5.059) 12.356 4.032 ( 4.797 -8.565 -13.870) 16.992 4.201 ( 2.838 -9.079 -4.742) 10.628 4.323 ( -10.350 3.558 -1.530) 11.051 5.068 ( 5.412 7.635 -5.527) 10.869 5.141 ( 3.365 9.405 3.143) 10.472 5.726 ( -1.685 1.556 3.741) 4.389 6.037 ( -2.776 0.483 0.288) 2.832 6.411 ( 10.432 -0.542 2.141) 10.663 6.970 ( -13.461 -0.111 -4.298) 14.131 7.595 ( -2.395 -8.542 -0.942) 8.921 7.700 ( 6.322 22.645 4.156) 23.876 7.965 ( -3.373 -7.876 3.121) 9.118 8.331 ( -4.137 4.828 -10.707) 12.453 8.829 ( -1.661 -4.840 5.558) 7.556 9.461 ( -0.682 6.797 0.729) 6.870 10.361 ( 4.462 -5.579 0.473) 7.160 10.461 ( -2.869 3.805 2.480) 5.372 11.167 ( 5.000 -5.050 -0.076) 7.107 20.330 ( -2.810 -0.079 0.853) 2.938 20.361 ( 1.289 1.266 -0.418) 1.854 20.514 ( 0.918 0.238 0.377) 1.021 20.579 ( 1.579 -1.241 -0.532) 2.078 24.860 ( 0.816 -1.161 -0.232) 1.438 25.476 ( -0.133 0.219 0.038) 0.259 32.460 ( -0.065 -0.282 -0.337) 0.444 32.519 ( 0.251 0.325 0.291) 0.503 42.560 ( -12.383 -1.548 2.894) 12.810 43.465 ( 7.633 9.367 -7.880) 14.426 44.220 ( 3.185 -13.565 -1.759) 14.045 45.535 ( -5.673 15.363 6.614) 17.662 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( -12.377 5.004 5.702) 14.517 3.134 ( -23.940 -5.687 -0.916) 24.623 3.378 ( -3.866 -16.900 -2.676) 17.542 4.048 ( -0.279 -6.006 -9.878) 11.564 4.157 ( 5.886 5.180 -2.152) 8.131 4.279 ( -1.850 -0.567 -5.603) 5.928 5.124 ( -3.126 -4.544 1.892) 5.831 5.269 ( 11.888 5.307 -9.649) 16.205 5.763 ( -1.977 -1.541 2.313) 3.411 6.075 ( 1.612 9.940 1.350) 10.160 6.577 ( 8.209 -0.708 -1.720) 8.417 6.764 ( -5.917 -3.366 4.821) 8.341 7.380 ( -9.590 -9.965 2.323) 14.023 7.838 ( -4.554 -0.759 2.009) 5.035 8.052 ( 5.487 14.153 1.334) 15.238 8.297 ( 1.228 4.678 -9.516) 10.674 8.723 ( -4.870 -10.866 4.984) 12.908 9.543 ( 0.514 6.624 3.413) 7.470 10.374 ( 0.891 -0.425 -1.107) 1.484 10.460 ( -3.280 3.880 4.617) 6.865 11.260 ( 9.217 -3.273 2.908) 10.204 20.279 ( -3.552 -0.045 1.108) 3.721 20.392 ( 0.800 1.443 -0.489) 1.721 20.524 ( 0.685 -0.162 0.640) 0.952 20.619 ( 3.512 0.038 -0.671) 3.576 24.855 ( 0.478 -1.282 -1.066) 1.735 25.478 ( -0.056 0.273 0.178) 0.330 32.456 ( 0.061 0.119 -0.688) 0.700 32.533 ( 0.509 0.500 0.893) 1.143 42.343 ( -12.360 -2.423 5.850) 13.887 43.615 ( 6.697 6.286 -13.344) 16.199 44.017 ( -4.649 -13.286 -10.942) 17.828 45.762 ( 3.608 15.181 19.722) 25.149 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -30.001 2.075 0.182) 30.073 2.716 ( -12.937 -5.347 -4.089) 14.583 3.301 ( 2.604 -14.178 -3.732) 14.891 3.957 ( -1.232 -5.321 -4.959) 7.377 4.130 ( -2.709 -1.746 -3.469) 4.736 4.364 ( 11.826 3.585 -6.848) 14.128 5.091 ( 3.937 -3.920 0.406) 5.570 5.354 ( 2.872 -3.942 -15.373) 16.128 5.726 ( -0.339 -0.764 3.899) 3.987 6.157 ( -3.327 8.531 -0.837) 9.195 6.578 ( -2.906 -2.617 -3.077) 4.976 6.832 ( 9.278 -5.726 9.847) 14.691 7.187 ( -6.018 -3.376 5.316) 8.710 7.755 ( -4.899 1.061 0.992) 5.110 8.229 ( 1.952 7.935 -0.952) 8.227 8.331 ( 5.284 -3.796 -4.827) 8.101 8.526 ( -6.045 -12.426 3.328) 14.213 9.606 ( -0.721 1.156 4.703) 4.896 10.359 ( -3.598 3.734 -1.936) 5.535 10.516 ( -0.015 9.699 3.878) 10.446 11.413 ( 7.588 -0.903 6.584) 10.087 20.228 ( -2.909 0.092 0.943) 3.059 20.411 ( 0.235 1.813 -0.990) 2.079 20.544 ( 1.012 -0.180 1.272) 1.635 20.673 ( 2.480 0.577 -0.415) 2.580 24.841 ( 0.178 -1.299 -1.707) 2.152 25.481 ( -0.007 0.323 0.250) 0.409 32.459 ( 0.267 0.760 -0.857) 1.176 32.552 ( 0.333 0.630 1.319) 1.499 42.190 ( -6.421 -2.345 7.125) 9.874 43.649 ( 3.348 -1.870 -19.438) 19.812 43.775 ( -4.288 -6.431 -9.072) 11.918 46.073 ( 3.429 10.953 24.284) 26.859 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -13.104 -4.076 0.401) 13.729 2.666 ( 9.561 2.602 -5.270) 11.223 3.064 ( -4.731 -18.704 -6.494) 20.356 3.760 ( -10.533 -7.902 -3.819) 13.710 4.147 ( 6.232 -2.817 -4.757) 8.331 4.582 ( 10.846 4.560 -5.928) 13.174 5.123 ( -0.261 1.215 -6.881) 6.992 5.257 ( 5.059 -9.652 -3.686) 11.504 5.704 ( -2.043 -3.273 2.324) 4.504 6.178 ( -0.858 0.706 -3.202) 3.390 6.433 ( -6.943 -1.215 -0.958) 7.113 6.938 ( 4.768 -8.206 6.062) 11.261 7.158 ( -2.279 4.343 4.576) 6.708 7.706 ( -1.680 -4.451 2.010) 5.165 8.218 ( 2.503 -10.267 -5.695) 12.005 8.360 ( 3.205 -3.422 3.210) 5.682 8.397 ( -1.009 -4.207 1.586) 4.608 9.599 ( -1.209 -2.479 4.640) 5.398 10.320 ( -3.747 3.645 -1.997) 5.596 10.675 ( 1.955 16.175 0.913) 16.318 11.538 ( 0.034 3.230 10.051) 10.557 20.205 ( -0.412 0.767 0.830) 1.203 20.430 ( 0.281 2.274 -0.881) 2.455 20.560 ( 0.428 -0.420 1.167) 1.312 20.695 ( -0.765 0.493 -0.172) 0.927 24.820 ( -0.011 -1.236 -1.999) 2.350 25.486 ( 0.003 0.332 0.244) 0.412 32.470 ( 0.344 1.328 -0.933) 1.659 32.569 ( -0.124 0.833 1.553) 1.767 42.170 ( 2.318 -2.328 8.070) 8.713 43.478 ( -2.217 -9.425 -20.122) 22.331 43.685 ( 0.841 -1.579 -8.495) 8.681 46.316 ( -0.693 8.056 24.853) 26.135 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 14.792 -2.359 1.745) 15.080 2.668 ( -0.226 -18.445 -9.287) 20.652 3.056 ( 16.284 -2.357 1.521) 16.524 3.499 ( -2.183 -7.782 -5.405) 9.723 4.154 ( 2.362 -5.664 -7.409) 9.620 4.654 ( -1.264 -2.310 -3.434) 4.327 5.095 ( 0.936 2.966 -8.045) 8.625 5.209 ( -5.613 -8.627 2.023) 10.489 5.726 ( 7.978 -2.605 3.875) 9.244 6.022 ( -6.641 -9.195 -0.951) 11.382 6.400 ( -0.001 4.230 -5.003) 6.552 6.888 ( -1.542 -11.153 3.606) 11.822 7.219 ( 2.501 2.062 5.449) 6.340 7.610 ( -0.096 -8.004 -3.834) 8.875 8.153 ( 0.655 -5.686 -7.406) 9.360 8.373 ( 3.373 -8.816 12.262) 15.475 8.398 ( 3.400 -3.591 -1.777) 5.255 9.591 ( 0.876 -2.611 3.803) 4.695 10.293 ( -1.755 2.723 -1.724) 3.670 10.900 ( 5.216 18.969 -3.076) 19.912 11.556 ( -11.202 7.492 12.177) 18.163 20.246 ( 3.102 2.179 1.097) 3.946 20.452 ( -0.247 2.253 -0.106) 2.269 20.565 ( 0.150 -0.157 0.314) 0.381 20.648 ( -4.555 -0.525 -0.299) 4.594 24.798 ( -0.021 -1.163 -1.838) 2.175 25.490 ( -0.028 0.289 0.199) 0.352 32.484 ( 0.001 1.546 -0.809) 1.745 32.580 ( -0.568 1.144 1.426) 1.915 42.302 ( 10.565 -2.449 8.972) 14.075 43.213 ( -5.294 -12.053 -17.641) 22.012 43.657 ( 3.146 -2.924 -7.941) 9.028 46.466 ( -4.266 7.912 21.563) 23.362 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -0.000 0.000 25.532) 25.532 1.281 ( -0.000 0.000 25.532) 25.532 2.682 ( -0.000 0.000 54.676) 54.676 3.012 ( 0.000 0.000 0.669) 0.669 3.012 ( -0.000 0.000 0.669) 0.669 3.837 ( -0.000 0.000 2.537) 2.537 5.542 ( 0.000 -0.000 -4.816) 4.816 5.545 ( 0.000 -0.000 -3.053) 3.053 5.545 ( 0.000 -0.000 -3.053) 3.053 5.781 ( 0.000 -0.000 -2.963) 2.963 6.025 ( 0.000 -0.000 -8.499) 8.499 6.025 ( 0.000 -0.000 -8.499) 8.499 7.269 ( -0.000 0.000 1.947) 1.947 7.269 ( -0.000 0.000 1.947) 1.947 7.495 ( 0.000 -0.000 -23.795) 23.795 8.273 ( -0.000 0.000 6.813) 6.813 8.273 ( -0.000 0.000 6.813) 6.813 9.388 ( -0.000 0.000 1.958) 1.958 10.262 ( 0.000 -0.000 -2.082) 2.082 10.262 ( 0.000 -0.000 -2.082) 2.082 13.101 ( -0.000 0.000 3.593) 3.593 20.496 ( 0.000 0.000 0.368) 0.368 20.496 ( -0.000 0.000 0.368) 0.368 20.578 ( 0.000 -0.000 -0.639) 0.639 20.578 ( 0.000 -0.000 -0.639) 0.639 25.221 ( 0.000 -0.000 -2.437) 2.437 25.589 ( -0.000 0.000 2.070) 2.070 32.663 ( -0.000 0.000 0.027) 0.027 32.698 ( -0.000 0.000 0.028) 0.028 42.336 ( -0.000 0.000 4.849) 4.849 42.336 ( -0.000 0.000 4.849) 4.849 43.004 ( 0.000 -0.000 -5.274) 5.274 43.004 ( 0.000 -0.000 -5.274) 5.274 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 10.359 34.338 19.249) 40.706 1.941 ( 43.484 3.853 18.935) 47.584 2.931 ( 1.377 -2.084 0.722) 2.600 3.049 ( 9.260 7.308 43.809) 45.369 3.383 ( 22.973 9.965 7.232) 26.065 3.717 ( -9.609 -7.593 1.877) 12.390 5.199 ( -19.312 -3.205 7.392) 20.925 5.420 ( -6.536 -10.085 -5.860) 13.371 5.555 ( -10.004 -5.513 -12.249) 16.749 5.644 ( 1.541 7.929 1.382) 8.195 5.930 ( -6.477 8.629 -8.000) 13.432 6.391 ( 27.682 -3.893 -6.634) 28.731 7.126 ( -8.473 -5.334 -0.598) 10.030 7.266 ( -0.289 -2.437 -4.161) 4.831 7.507 ( 7.573 6.569 -14.550) 17.669 8.268 ( -0.733 -3.400 7.696) 8.445 8.419 ( 4.158 9.285 6.284) 11.958 9.198 ( -8.046 -4.807 1.331) 9.466 10.212 ( -1.683 -0.706 -2.027) 2.728 10.728 ( 26.444 14.922 -8.237) 31.461 12.971 ( -11.004 -6.717 1.889) 13.030 20.449 ( -2.044 -1.899 0.052) 2.791 20.523 ( -0.011 0.607 0.673) 0.906 20.532 ( -2.428 -0.816 -1.018) 2.756 20.606 ( 1.463 0.479 -0.290) 1.566 25.134 ( -5.791 -3.320 0.798) 6.723 25.563 ( -2.359 -1.361 2.094) 3.435 32.628 ( -2.827 -1.493 -0.050) 3.197 32.677 ( -1.487 -0.963 0.059) 1.772 42.326 ( 4.228 0.506 5.047) 6.603 42.538 ( 7.463 5.919 7.781) 12.299 42.843 ( -3.533 -4.468 -8.164) 9.955 43.749 ( 51.385 32.224 -24.254) 65.323 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 8.501 22.161 7.146) 24.788 2.790 ( 26.599 15.531 23.375) 38.667 3.033 ( 8.533 5.832 4.337) 11.209 3.483 ( -3.229 -10.373 2.738) 11.204 3.636 ( 31.050 3.424 27.198) 41.419 3.922 ( 18.164 9.838 10.779) 23.300 4.918 ( -18.121 2.644 3.523) 18.648 5.194 ( -8.912 -4.247 -7.569) 12.440 5.294 ( -2.871 -3.331 -10.599) 11.475 5.752 ( -2.856 11.356 -1.956) 11.871 5.871 ( -0.358 -0.339 0.990) 1.106 6.732 ( 21.902 -6.409 -5.730) 23.529 6.953 ( -2.586 -7.615 -1.665) 8.213 7.212 ( -2.906 0.805 -4.884) 5.740 7.656 ( 9.794 9.163 -12.888) 18.600 8.264 ( 0.466 -5.064 9.170) 10.486 8.626 ( 2.825 13.768 4.994) 14.916 9.131 ( 1.667 -0.074 -1.315) 2.125 10.172 ( -0.957 -1.145 -1.126) 1.870 11.088 ( 8.154 5.077 -5.632) 11.135 12.680 ( -13.175 -8.429 -3.456) 16.018 20.397 ( -1.708 -2.192 -0.346) 2.801 20.477 ( -2.390 -0.123 -1.826) 3.010 20.518 ( -1.400 0.204 1.201) 1.856 20.634 ( 1.572 0.129 0.022) 1.577 25.019 ( -4.963 -2.820 3.040) 6.467 25.524 ( -1.817 -1.050 1.085) 2.363 32.560 ( -2.979 -1.457 -0.470) 3.350 32.637 ( -1.782 -1.245 -0.196) 2.182 42.517 ( 12.058 1.603 8.530) 14.857 42.702 ( -1.890 -2.892 -4.709) 5.841 42.788 ( 6.983 8.356 4.661) 11.845 44.723 ( 43.863 27.747 -35.025) 62.614 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -5.905 10.007 -4.888) 12.606 3.245 ( 3.847 4.101 15.222) 16.227 3.361 ( 15.083 3.081 16.874) 22.841 3.523 ( 10.058 -2.412 12.836) 16.485 4.076 ( -7.414 5.464 11.490) 14.725 4.333 ( 19.603 3.527 7.471) 21.272 4.869 ( 3.154 -3.293 4.993) 6.762 4.888 ( 2.757 -2.507 -18.290) 18.665 5.417 ( 8.392 16.248 0.534) 18.295 5.708 ( -5.323 7.118 -5.622) 10.517 5.977 ( 5.604 0.826 7.348) 9.278 6.827 ( 1.754 -3.700 -2.322) 4.707 6.994 ( 10.301 -1.864 -7.157) 12.681 7.147 ( 1.603 -1.838 -4.691) 5.287 7.887 ( 12.709 10.815 -10.835) 19.897 8.282 ( 2.360 -7.067 10.228) 12.654 8.805 ( -0.306 13.402 2.664) 13.668 9.189 ( 4.408 1.789 -2.754) 5.497 10.152 ( 0.552 -1.641 0.755) 1.889 11.080 ( -6.333 -2.554 -1.763) 7.053 12.352 ( -12.547 -8.011 -7.953) 16.877 20.342 ( -1.882 -2.258 -0.613) 3.003 20.437 ( -1.615 0.438 -1.851) 2.495 20.501 ( -1.480 0.555 1.015) 1.878 20.661 ( 1.561 -0.320 0.210) 1.608 24.944 ( -3.245 -1.821 2.992) 4.775 25.494 ( -1.101 -0.641 0.230) 1.294 32.501 ( -2.190 -0.973 -0.523) 2.453 32.596 ( -1.395 -1.075 -0.514) 1.835 42.590 ( 0.026 -5.125 -10.368) 11.566 42.830 ( 13.106 3.450 13.772) 19.322 43.040 ( 6.146 10.365 10.215) 15.797 45.390 ( 29.887 19.225 -32.444) 48.119 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -8.141 5.829 -5.831) 11.586 3.304 ( -13.783 -8.520 6.706) 17.536 3.438 ( 4.728 -1.795 9.038) 10.357 3.819 ( 9.784 -0.653 17.246) 19.838 4.107 ( 1.654 6.041 8.302) 10.399 4.502 ( -10.302 -3.686 -1.634) 11.063 4.595 ( 3.137 0.060 3.692) 4.845 5.348 ( 23.970 1.463 1.033) 24.036 5.678 ( 1.380 11.087 -2.566) 11.464 5.787 ( 9.466 8.656 -2.972) 13.167 6.095 ( 3.968 1.266 5.550) 6.939 6.848 ( -0.583 4.481 1.146) 4.662 7.055 ( 4.392 10.197 -11.633) 16.081 7.249 ( 14.690 -7.046 -3.038) 16.573 8.144 ( 12.242 4.981 -7.378) 15.137 8.293 ( 1.046 -6.593 10.042) 12.059 8.887 ( -4.288 9.827 -0.513) 10.735 9.275 ( 5.771 2.877 -4.330) 7.768 10.171 ( 2.248 -1.453 2.748) 3.836 10.873 ( -11.603 -4.619 -1.517) 12.580 12.028 ( -11.577 -7.121 -9.011) 16.307 20.288 ( -1.824 -1.514 -0.984) 2.566 20.405 ( -1.513 -0.410 -0.175) 1.577 20.501 ( 0.072 1.731 -0.254) 1.751 20.680 ( 1.078 -0.661 0.286) 1.297 24.898 ( -2.238 -1.242 2.341) 3.469 25.478 ( -0.362 -0.217 -0.115) 0.437 32.463 ( -1.278 -0.558 -0.047) 1.395 32.568 ( -0.601 -0.544 -0.785) 1.128 42.485 ( -0.428 -4.103 -11.560) 12.274 43.143 ( 11.237 0.344 18.108) 21.314 43.287 ( 4.179 10.571 11.248) 15.992 45.808 ( 20.271 13.122 -27.327) 36.467 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -3.379 4.578 -3.660) 6.765 2.926 ( -17.967 -8.263 1.951) 19.872 3.544 ( -3.775 2.364 11.346) 12.189 3.951 ( 2.558 -4.783 10.987) 12.253 4.131 ( -2.917 -6.679 -11.488) 13.605 4.326 ( 1.275 -1.119 8.855) 9.016 4.820 ( 6.734 5.533 19.232) 21.115 5.595 ( 6.925 -8.211 -2.968) 11.144 5.748 ( 0.030 8.903 -2.346) 9.207 5.931 ( 6.782 -3.117 -3.472) 8.232 6.253 ( 3.339 11.567 6.242) 13.561 6.908 ( -2.510 12.084 3.083) 12.721 7.177 ( 6.435 0.675 -10.999) 12.761 7.470 ( 15.364 2.404 -3.880) 16.028 8.208 ( 3.315 -10.041 2.593) 10.887 8.382 ( 5.655 3.183 -0.032) 6.490 8.838 ( -8.497 3.562 -2.852) 9.645 9.421 ( 9.662 5.474 -4.944) 12.156 10.209 ( 0.819 -0.746 3.411) 3.587 10.629 ( -10.198 -3.282 -1.977) 10.894 11.753 ( -8.090 -5.019 -8.702) 12.898 20.243 ( -1.622 -0.585 -1.251) 2.130 20.383 ( -0.496 -0.670 1.119) 1.395 20.529 ( 1.250 2.017 -0.984) 2.569 20.686 ( 0.303 -0.677 0.292) 0.797 24.865 ( -1.735 -0.962 1.815) 2.688 25.475 ( 0.142 0.075 -0.157) 0.225 32.446 ( -0.421 -0.299 0.513) 0.728 32.557 ( 0.145 0.061 -0.960) 0.973 42.376 ( -0.884 -3.821 -11.359) 12.017 43.379 ( 4.928 -0.625 20.294) 20.893 43.491 ( 2.795 7.130 11.187) 13.557 46.073 ( 14.317 9.188 -23.558) 29.058 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -5.098 7.518 -2.272) 9.363 2.660 ( -4.296 -6.394 2.181) 8.006 3.394 ( -16.102 -7.167 9.825) 20.179 3.896 ( -10.199 4.346 -1.060) 11.137 4.093 ( 5.766 -2.775 4.334) 7.729 4.443 ( 9.955 -6.251 6.861) 13.610 5.041 ( 1.335 4.293 16.913) 17.500 5.450 ( -3.217 -14.475 -4.075) 15.378 5.777 ( -3.364 2.274 -3.212) 5.178 6.052 ( 10.010 -0.151 1.484) 10.121 6.410 ( -2.661 11.300 4.561) 12.473 6.999 ( -2.680 10.397 0.756) 10.764 7.167 ( 2.458 -6.238 -7.307) 9.917 7.668 ( 6.510 3.266 -3.319) 8.004 8.221 ( 5.095 -3.435 0.225) 6.149 8.443 ( 1.531 -3.657 -0.728) 4.031 8.637 ( -12.939 -4.118 -3.353) 13.986 9.596 ( 5.058 4.481 -4.458) 8.095 10.228 ( 0.617 3.305 2.379) 4.119 10.515 ( 0.834 0.250 -1.447) 1.689 11.584 ( -2.602 -1.843 -8.681) 9.248 20.211 ( -0.976 0.100 -1.106) 1.478 20.392 ( 1.129 -0.007 1.287) 1.712 20.560 ( 0.880 0.947 -1.156) 1.734 20.686 ( 0.078 0.060 0.277) 0.294 24.839 ( -1.420 -0.796 1.674) 2.335 25.480 ( 0.314 0.177 -0.168) 0.398 32.449 ( 0.476 -0.012 0.847) 0.972 32.561 ( 0.521 0.414 -1.159) 1.336 42.267 ( -1.156 -3.583 -10.098) 10.777 43.495 ( -3.015 -0.678 20.723) 20.952 43.628 ( 1.694 1.881 10.261) 10.569 46.237 ( 10.301 6.613 -22.433) 25.555 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 13.212 10.420 19.735) 25.935 2.135 ( -8.417 38.279 20.093) 44.044 3.005 ( 0.262 6.698 6.945) 9.652 3.203 ( 0.949 9.533 2.611) 9.929 3.426 ( -2.715 21.519 36.954) 42.849 3.776 ( -2.630 -4.994 2.356) 6.116 5.171 ( 6.052 -22.751 5.555) 24.189 5.329 ( -4.099 -10.989 -6.880) 13.598 5.562 ( 0.959 0.110 -3.683) 3.808 5.754 ( -2.680 6.626 -4.643) 8.523 5.887 ( 20.463 -4.312 -7.716) 22.291 6.332 ( -19.646 22.940 -8.256) 31.310 7.196 ( 2.425 -0.911 -6.005) 6.539 7.260 ( -10.642 -4.084 -2.056) 11.582 7.315 ( 8.070 -0.400 -11.253) 13.854 8.319 ( -2.947 -0.120 6.690) 7.311 8.454 ( 5.817 8.723 5.994) 12.077 9.200 ( -0.027 -10.338 1.552) 10.454 10.286 ( 0.339 2.452 -2.364) 3.423 10.629 ( -0.437 28.609 -7.888) 29.680 12.936 ( -0.269 -20.434 3.730) 20.773 20.444 ( -0.458 -3.466 0.369) 3.516 20.522 ( 0.006 -1.175 -1.289) 1.744 20.552 ( 1.033 1.248 0.773) 1.795 20.594 ( -0.496 0.470 -0.498) 0.845 25.137 ( 0.018 -5.509 0.210) 5.513 25.573 ( 0.000 -2.816 1.956) 3.429 32.627 ( 0.108 -3.278 -0.037) 3.280 32.677 ( -0.086 -1.833 0.093) 1.838 42.236 ( -0.905 -6.764 4.235) 8.031 42.675 ( 0.658 19.076 10.011) 21.553 43.133 ( -8.434 10.742 -4.753) 14.460 43.329 ( 8.534 40.770 -24.842) 48.499 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 41.061 11.856 9.273) 43.733 2.532 ( 2.424 36.441 13.356) 38.888 3.029 ( -0.926 4.277 6.554) 7.880 3.468 ( -2.177 -2.090 14.460) 14.772 3.704 ( 4.321 13.701 7.285) 16.108 3.843 ( 8.449 18.576 22.610) 30.458 5.038 ( -4.091 -17.880 -1.640) 18.415 5.195 ( 1.192 -2.879 -3.372) 4.592 5.356 ( -13.240 1.329 -11.920) 17.864 5.842 ( 2.207 5.575 6.709) 8.998 6.151 ( -18.097 18.529 -6.695) 26.751 6.215 ( 24.599 -5.274 -7.947) 26.384 6.984 ( -8.376 -6.863 -1.089) 10.883 7.245 ( -0.431 1.635 -0.583) 1.788 7.429 ( 12.980 2.042 -14.498) 19.566 8.301 ( -2.971 -1.257 7.098) 7.797 8.694 ( 6.573 11.538 2.979) 13.609 9.126 ( -0.785 -0.793 0.679) 1.306 10.234 ( -5.186 3.075 -1.935) 6.332 10.970 ( 11.484 15.608 -7.998) 20.964 12.663 ( -5.940 -25.118 1.944) 25.884 20.397 ( -1.162 -3.121 0.147) 3.334 20.489 ( -1.019 -1.614 -1.755) 2.593 20.563 ( -1.728 1.573 0.963) 2.527 20.606 ( 1.407 -0.061 -0.219) 1.426 25.062 ( -2.788 -4.611 1.794) 5.679 25.543 ( -1.328 -2.272 1.341) 2.954 32.578 ( -1.731 -2.986 -0.348) 3.469 32.646 ( -1.170 -2.111 0.028) 2.414 42.278 ( 10.185 -6.722 5.683) 13.462 42.875 ( -13.966 12.743 -2.202) 19.033 42.984 ( -2.309 24.645 6.049) 25.481 44.113 ( 40.650 31.256 -30.243) 59.531 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -8.798 32.070 -2.537) 33.352 3.117 ( 11.757 -6.444 1.777) 13.525 3.296 ( 28.375 12.447 7.774) 31.945 3.394 ( 0.955 5.376 21.711) 22.387 4.064 ( 9.691 6.861 21.609) 24.656 4.268 ( 11.147 10.352 12.121) 19.451 4.725 ( -8.381 -13.241 -6.876) 17.113 4.961 ( -13.783 -3.287 -16.713) 21.911 5.412 ( 9.602 12.559 -0.265) 15.812 5.961 ( -1.396 3.250 9.298) 9.948 6.002 ( -11.773 17.070 -5.557) 21.468 6.535 ( 22.646 -6.158 -6.004) 24.224 6.858 ( -1.396 -0.538 1.076) 1.842 7.218 ( -4.158 2.975 -2.046) 5.507 7.642 ( 15.992 4.936 -13.233) 21.336 8.274 ( -1.697 -3.236 8.043) 8.834 8.895 ( 4.567 8.312 -0.181) 9.486 9.166 ( 1.070 5.890 -0.386) 5.999 10.182 ( -3.228 1.947 0.456) 3.797 11.125 ( -0.285 2.911 -4.434) 5.311 12.314 ( -6.098 -23.272 -3.388) 24.295 20.349 ( -1.383 -2.019 -0.510) 2.500 20.449 ( -1.065 -0.818 -1.752) 2.207 20.547 ( -2.152 1.067 1.061) 2.626 20.624 ( 1.475 -1.006 0.130) 1.791 24.988 ( -2.822 -2.956 2.328) 4.703 25.507 ( -1.232 -1.400 0.485) 1.927 32.520 ( -1.840 -1.810 -0.607) 2.651 32.603 ( -1.354 -1.935 -0.130) 2.365 42.451 ( 11.399 -6.358 3.816) 13.598 42.765 ( -5.009 9.616 -2.653) 11.163 43.284 ( -1.013 25.863 13.760) 29.313 44.850 ( 35.536 19.812 -32.143) 51.851 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( -24.663 30.156 -8.846) 39.949 3.272 ( 14.426 -2.114 3.023) 14.891 3.453 ( -2.897 -3.038 12.665) 13.342 3.854 ( 3.683 8.288 17.474) 19.687 4.286 ( -10.763 0.062 8.797) 13.901 4.494 ( 13.538 4.096 8.507) 16.506 4.627 ( -8.543 -7.912 -6.013) 13.105 4.753 ( 28.336 -4.875 -4.735) 29.140 5.688 ( 7.826 7.351 -5.664) 12.140 5.918 ( -8.404 13.750 1.087) 16.151 6.105 ( 3.473 8.443 4.787) 10.308 6.804 ( 17.887 -3.917 -2.274) 18.452 6.927 ( 3.055 7.880 1.109) 8.524 7.183 ( -3.262 10.137 -4.894) 11.720 7.888 ( 14.905 0.760 -8.345) 17.098 8.271 ( 0.752 -4.075 7.893) 8.915 9.010 ( 1.002 7.053 -2.659) 7.604 9.226 ( 0.770 4.318 -2.789) 5.198 10.175 ( -0.811 1.763 3.263) 3.796 11.006 ( -9.671 -3.668 -2.155) 10.565 11.989 ( -4.718 -19.057 -7.355) 20.965 20.306 ( -1.759 -0.632 -0.935) 2.090 20.419 ( -0.870 -0.493 -1.363) 1.691 20.528 ( -1.703 0.938 1.020) 2.195 20.640 ( 1.952 -1.883 0.246) 2.724 24.933 ( -2.260 -1.869 1.995) 3.547 25.482 ( -0.621 -0.608 0.001) 0.869 32.479 ( -1.312 -0.802 -0.340) 1.575 32.567 ( -0.797 -1.387 -0.355) 1.639 42.470 ( -3.055 1.880 -7.703) 8.497 42.939 ( 13.998 -0.311 11.637) 18.206 43.562 ( -3.701 22.906 15.692) 28.011 45.368 ( 27.615 10.819 -29.196) 41.618 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -20.937 26.392 -8.347) 34.707 3.242 ( -18.192 -1.713 4.260) 18.763 3.561 ( 9.759 4.298 5.557) 12.025 3.976 ( 0.897 0.515 8.863) 8.923 4.071 ( -9.237 -7.529 1.309) 11.989 4.412 ( -7.217 -5.114 4.107) 9.752 4.817 ( 10.946 5.050 17.349) 21.126 5.202 ( 24.819 -9.112 -4.827) 26.876 5.782 ( 4.880 4.295 -5.379) 8.438 5.912 ( -5.070 6.310 -2.473) 8.464 6.317 ( 4.953 10.966 7.124) 13.983 6.963 ( 9.822 -6.315 -8.814) 14.630 7.093 ( 0.836 14.081 5.479) 15.133 7.337 ( 7.063 18.069 -3.754) 19.760 8.017 ( 8.010 -10.277 0.426) 13.037 8.313 ( 4.070 -1.138 2.027) 4.687 9.001 ( -7.464 5.006 -5.825) 10.710 9.299 ( 7.148 3.638 -3.071) 8.588 10.216 ( 0.794 2.171 4.011) 4.629 10.763 ( -11.423 -5.093 -2.587) 12.772 11.713 ( -3.756 -14.574 -7.910) 17.002 20.270 ( -1.970 0.777 -1.163) 2.416 20.395 ( -0.812 -0.635 -0.162) 1.044 20.525 ( 0.056 0.714 0.243) 0.756 20.654 ( 1.821 -2.131 0.293) 2.818 24.893 ( -1.793 -1.305 1.561) 2.712 25.474 ( -0.033 -0.063 -0.121) 0.140 32.456 ( -0.772 -0.307 0.261) 0.871 32.548 ( 0.063 -0.666 -0.643) 0.928 42.379 ( -5.246 3.921 -9.493) 11.533 43.245 ( 14.369 -2.677 15.626) 21.396 43.750 ( -6.563 16.382 15.898) 23.753 45.712 ( 21.253 5.304 -25.599) 33.691 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -12.356 26.567 -5.615) 29.833 2.929 ( -21.243 4.960 3.375) 22.074 3.572 ( -8.378 -10.364 2.554) 13.569 4.005 ( 0.240 -2.231 5.993) 6.399 4.031 ( 2.554 6.995 1.924) 7.692 4.320 ( 0.462 -8.003 9.040) 12.082 5.096 ( 4.980 1.194 14.678) 15.546 5.306 ( 6.090 -9.386 -0.694) 11.210 5.809 ( -3.178 -0.672 -6.798) 7.534 5.967 ( 6.153 8.289 0.299) 10.327 6.514 ( 3.394 5.893 6.602) 9.478 6.955 ( 3.620 -8.300 -10.102) 13.566 7.234 ( -4.890 13.692 0.613) 14.552 7.610 ( 6.148 13.474 0.317) 14.814 8.056 ( 9.446 -6.462 1.560) 11.551 8.357 ( 3.051 -5.197 0.044) 6.027 8.817 ( -12.653 -0.684 -5.826) 13.947 9.490 ( 9.962 5.615 -3.516) 11.964 10.272 ( 0.438 3.767 2.897) 4.772 10.541 ( -6.552 -3.350 -3.213) 8.030 11.512 ( -0.963 -10.068 -7.173) 12.400 20.242 ( -2.023 1.746 -1.210) 2.934 20.386 ( 0.288 -0.166 0.849) 0.911 20.540 ( 1.092 -0.006 -0.635) 1.263 20.663 ( 1.486 -1.974 0.363) 2.497 24.862 ( -1.424 -1.008 1.430) 2.256 25.476 ( 0.249 0.163 -0.157) 0.336 32.449 ( -0.100 -0.076 0.703) 0.714 32.547 ( 0.609 -0.161 -0.926) 1.120 42.280 ( -5.514 4.248 -8.837) 11.249 43.503 ( 9.038 -2.739 16.924) 19.381 43.818 ( -8.573 8.098 14.258) 18.503 45.939 ( 16.209 2.724 -23.553) 28.721 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -23.834 13.905 15.493) 31.646 2.724 ( -10.888 20.817 16.597) 28.764 3.021 ( 2.554 8.685 7.139) 11.529 3.458 ( -12.227 -2.196 5.061) 13.414 3.838 ( -3.091 16.752 3.170) 17.327 3.966 ( -10.586 30.070 26.537) 41.478 4.882 ( 9.166 -15.583 7.005) 19.388 5.198 ( 3.481 -10.529 -13.301) 17.318 5.389 ( 11.893 0.192 -0.453) 11.904 5.632 ( 2.172 -4.407 -5.093) 7.077 5.866 ( -3.966 6.063 -1.440) 7.387 6.759 ( -10.750 17.760 -9.486) 22.825 7.101 ( 7.404 -0.345 -0.349) 7.420 7.169 ( 0.128 2.916 -11.148) 11.524 7.384 ( -12.039 -5.171 -6.577) 14.661 8.423 ( -1.401 3.743 8.985) 9.834 8.469 ( 0.912 2.864 4.279) 5.229 9.131 ( 0.060 -1.154 -0.186) 1.171 10.239 ( 4.454 3.510 -1.393) 5.839 10.969 ( -10.890 15.190 -8.125) 20.380 12.676 ( 5.516 -24.285 1.522) 24.950 20.413 ( 0.263 -2.921 0.238) 2.943 20.477 ( 2.110 -2.042 -1.817) 3.453 20.543 ( 1.946 1.266 1.017) 2.535 20.617 ( -1.672 0.220 -0.186) 1.696 25.061 ( 2.810 -4.648 1.808) 5.725 25.543 ( 1.326 -2.268 1.343) 2.951 32.574 ( 1.851 -3.155 -0.251) 3.667 32.649 ( 1.066 -1.934 -0.041) 2.209 42.312 ( -12.062 -6.027 4.961) 14.368 42.911 ( 7.701 17.303 7.359) 20.319 42.980 ( 11.357 22.116 -3.670) 25.131 44.053 ( -41.750 28.845 -29.538) 58.716 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 9.197 12.047 10.336) 18.345 2.944 ( -1.433 21.426 17.994) 28.016 3.179 ( -8.117 -0.659 11.167) 13.821 3.470 ( 16.328 18.978 4.660) 25.465 3.877 ( -10.478 15.243 -2.071) 18.613 4.189 ( -7.235 16.594 22.242) 28.678 4.939 ( -2.539 -5.230 1.726) 6.064 5.099 ( 5.505 1.111 -6.376) 8.497 5.512 ( -8.366 0.200 -7.687) 11.363 5.684 ( 23.827 -6.671 -7.601) 25.884 5.909 ( 0.951 7.844 6.088) 9.974 6.625 ( -17.528 15.750 -9.837) 25.535 7.055 ( -9.617 -7.436 -3.172) 12.564 7.139 ( 7.873 -6.034 -7.485) 12.427 7.290 ( 2.585 9.001 -2.723) 9.752 8.397 ( -4.114 1.282 5.930) 7.330 8.687 ( 7.265 8.818 2.961) 11.802 9.126 ( 0.922 1.217 0.377) 1.573 10.302 ( -0.170 2.028 -3.149) 3.750 10.989 ( -0.041 15.633 -7.956) 17.541 12.455 ( -0.603 -31.239 5.576) 31.738 20.375 ( -0.343 -4.057 0.669) 4.126 20.468 ( 0.224 -1.884 -1.774) 2.597 20.583 ( -0.294 -0.612 -0.741) 1.005 20.606 ( 0.599 2.407 0.825) 2.614 25.046 ( 0.033 -4.626 1.629) 4.904 25.535 ( -0.003 -2.578 1.007) 2.768 32.557 ( 0.150 -3.323 -0.388) 3.349 32.635 ( -0.151 -2.497 0.025) 2.501 42.170 ( -0.931 -4.835 5.005) 7.021 43.265 ( -4.665 24.080 13.011) 27.765 43.312 ( -0.617 14.780 -1.478) 14.867 43.786 ( 5.960 36.207 -34.749) 50.536 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 35.139 2.399 -1.552) 35.255 3.167 ( 5.693 4.720 11.769) 13.900 3.272 ( 1.178 22.136 16.918) 27.885 3.751 ( -20.799 21.362 2.260) 29.900 4.044 ( 20.920 9.504 5.192) 23.557 4.234 ( -4.496 -5.720 14.454) 16.181 4.776 ( -8.433 -1.054 -1.927) 8.715 5.146 ( -14.028 8.488 -15.272) 22.407 5.384 ( 4.395 8.819 -1.697) 9.999 5.932 ( 13.519 -4.083 -7.220) 15.861 6.135 ( 13.132 5.043 10.523) 17.567 6.417 ( -17.672 13.056 -6.614) 22.946 6.890 ( -2.146 -1.219 0.800) 2.594 7.204 ( 7.844 -3.263 -3.216) 9.084 7.444 ( 6.119 12.053 -6.071) 14.818 8.351 ( -5.222 -0.880 6.294) 8.225 8.857 ( 5.095 5.597 -2.495) 7.969 9.210 ( 2.703 6.331 0.487) 6.901 10.268 ( -3.418 2.445 -1.806) 4.574 11.099 ( 3.434 4.020 -6.773) 8.592 12.139 ( -4.480 -29.228 5.066) 30.001 20.338 ( -0.194 -3.200 0.584) 3.258 20.440 ( -0.393 -1.158 -1.860) 2.225 20.563 ( -0.043 -1.659 -0.464) 1.723 20.632 ( -1.006 2.150 0.550) 2.436 25.001 ( -1.365 -3.492 1.649) 4.096 25.509 ( -0.691 -1.921 0.434) 2.088 32.519 ( -0.806 -2.305 -0.643) 2.525 32.601 ( -0.867 -2.420 0.086) 2.573 42.233 ( 9.316 -4.483 6.917) 12.439 43.087 ( -18.885 15.461 -8.684) 25.906 43.660 ( -0.970 28.560 18.381) 33.978 44.312 ( 31.071 22.162 -30.908) 49.110 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( 23.300 -4.106 -1.411) 23.701 3.418 ( -12.693 33.236 -1.332) 35.603 3.536 ( -10.371 7.131 5.121) 13.588 3.808 ( 26.328 13.146 11.821) 31.713 4.118 ( 5.524 -21.122 6.175) 22.689 4.425 ( 10.084 2.995 12.841) 16.599 4.595 ( -13.933 -0.324 0.790) 13.960 4.833 ( -17.565 6.162 -12.282) 22.302 5.622 ( 7.363 11.501 -4.654) 14.428 6.061 ( 7.215 1.414 0.472) 7.368 6.238 ( -10.010 9.029 -4.511) 14.215 6.473 ( 15.259 3.163 2.820) 15.837 6.957 ( 5.068 5.072 1.888) 7.414 7.308 ( 1.637 10.693 1.271) 10.892 7.650 ( 9.824 7.181 -6.354) 13.728 8.288 ( -3.183 -2.707 5.729) 7.091 8.975 ( 5.395 4.461 -3.497) 7.826 9.275 ( -1.020 3.880 -3.111) 5.077 10.248 ( -2.229 3.368 2.115) 4.559 11.066 ( -3.162 -5.544 -4.884) 8.036 11.816 ( -4.478 -23.464 0.994) 23.908 20.313 ( -0.299 -1.431 -0.032) 1.462 20.416 ( -0.550 -0.582 -1.541) 1.736 20.548 ( 0.591 -1.934 -0.210) 2.033 20.624 ( -1.766 0.877 0.705) 2.094 24.954 ( -1.663 -2.411 1.319) 3.212 25.485 ( -0.570 -0.979 0.042) 1.134 32.485 ( -0.803 -1.035 -0.601) 1.442 32.564 ( -0.896 -1.932 0.096) 2.132 42.412 ( 9.765 -3.079 6.004) 11.869 42.957 ( -7.514 13.659 -5.475) 16.523 43.969 ( -5.219 24.807 19.249) 31.830 44.837 ( 29.142 11.680 -27.965) 42.044 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( -15.441 19.952 -5.793) 25.886 3.234 ( 0.813 -5.245 -4.268) 6.811 3.688 ( -2.751 21.028 7.458) 22.481 3.985 ( -0.517 -6.963 2.993) 7.596 4.266 ( -16.747 -5.100 5.247) 18.276 4.514 ( -3.067 -1.079 4.190) 5.304 4.598 ( 29.381 -0.675 0.005) 29.389 4.743 ( 10.503 2.191 8.307) 13.569 5.738 ( 1.595 5.993 -6.867) 9.253 6.064 ( -7.313 4.985 -2.331) 9.152 6.349 ( 8.463 7.017 3.313) 11.482 6.707 ( 9.574 1.044 -3.079) 10.111 7.148 ( 9.588 7.061 2.884) 12.251 7.497 ( -0.396 23.577 1.433) 23.624 7.799 ( 7.096 -4.399 -0.633) 8.373 8.263 ( 0.490 -2.356 2.719) 3.631 9.075 ( 1.388 4.143 -5.866) 7.315 9.244 ( 0.028 1.161 -3.014) 3.230 10.272 ( -1.216 3.680 4.125) 5.660 10.859 ( -8.731 -9.151 -4.114) 13.300 11.557 ( -2.109 -17.644 -2.564) 17.954 20.300 ( -0.736 0.729 -0.598) 1.196 20.392 ( -0.602 -0.974 -0.947) 1.486 20.539 ( -0.032 -1.043 0.195) 1.062 20.610 ( 0.086 -0.938 0.575) 1.103 24.913 ( -1.518 -1.712 0.921) 2.466 25.473 ( -0.136 -0.229 -0.063) 0.274 32.466 ( -0.611 -0.254 -0.121) 0.673 32.538 ( -0.291 -1.230 -0.110) 1.269 42.482 ( -2.973 4.541 -2.966) 6.185 43.083 ( 10.001 5.157 6.327) 12.909 44.145 ( -9.516 16.967 17.491) 26.160 45.236 ( 24.568 5.390 -23.810) 34.635 ======================= Grid point 510 (253/294) ======================= q-point: ( 0.75 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -15.998 16.516 -8.122) 24.386 3.233 ( -4.858 3.039 -1.701) 5.977 3.690 ( -18.690 6.932 -2.375) 20.075 4.017 ( 5.915 3.569 1.188) 7.010 4.090 ( -4.157 -1.628 14.162) 14.849 4.327 ( -6.068 -9.386 6.900) 13.135 5.023 ( 15.643 -2.409 10.264) 18.864 5.068 ( 13.946 3.987 -2.088) 14.655 5.779 ( 3.254 0.106 -3.786) 4.993 5.989 ( -3.698 4.909 -4.137) 7.408 6.526 ( 4.757 0.617 5.239) 7.103 6.795 ( 2.504 1.276 -5.322) 6.018 7.416 ( 3.660 15.433 -1.006) 15.893 7.733 ( 1.618 19.774 3.587) 20.161 7.816 ( 7.143 -10.786 2.281) 13.137 8.265 ( 1.665 -4.512 1.545) 5.051 8.958 ( -8.965 -1.919 -7.782) 12.025 9.369 ( 8.802 5.813 -1.492) 10.653 10.318 ( 0.099 3.883 3.424) 5.178 10.601 ( -8.098 -7.711 -4.881) 12.201 11.373 ( -0.344 -12.838 -3.461) 13.301 20.291 ( -1.735 2.366 -1.092) 3.131 20.376 ( 0.544 -1.064 0.015) 1.196 20.530 ( -0.185 -0.507 0.089) 0.547 20.613 ( 1.550 -2.201 0.454) 2.730 24.880 ( -1.231 -1.305 0.803) 1.965 25.473 ( 0.157 0.132 -0.087) 0.223 32.456 ( -0.442 -0.046 0.445) 0.629 32.530 ( 0.449 -0.557 -0.498) 0.871 42.423 ( -7.625 8.488 -6.355) 13.060 43.369 ( 13.291 0.178 12.100) 17.975 44.156 ( -12.581 7.171 14.224) 20.298 45.536 ( 19.877 3.179 -20.497) 28.729 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 0.669 18.421 3.025) 18.680 3.101 ( -28.513 -0.080 10.809) 30.493 3.260 ( -5.878 5.495 18.381) 20.065 3.633 ( -6.017 9.490 8.120) 13.864 4.076 ( 0.724 -0.875 5.430) 5.548 4.502 ( 4.002 25.161 8.460) 26.845 4.732 ( -13.098 -0.327 6.789) 14.756 4.917 ( 9.267 -5.272 -14.800) 18.240 5.339 ( -0.595 9.258 2.770) 9.682 5.569 ( -2.200 -3.956 -4.523) 6.399 5.993 ( -4.193 4.498 5.188) 8.045 6.899 ( -1.278 2.346 -11.094) 11.411 6.947 ( 5.995 -1.979 -3.063) 7.017 7.260 ( -0.334 17.636 -4.547) 18.215 7.559 ( -18.624 -1.483 -8.571) 20.556 8.454 ( 4.277 3.596 6.663) 8.696 8.597 ( -8.591 -0.164 4.986) 9.934 9.164 ( -2.217 2.640 -0.839) 3.548 10.214 ( 2.417 3.812 0.426) 4.534 11.104 ( 0.816 1.553 -4.507) 4.837 12.335 ( 6.470 -22.122 -3.940) 23.383 20.389 ( 0.923 -0.593 0.140) 1.106 20.407 ( 1.693 -2.491 -2.179) 3.717 20.518 ( 2.291 -0.117 1.230) 2.603 20.648 ( -1.799 0.018 -0.022) 1.799 24.986 ( 2.812 -3.006 2.350) 4.740 25.507 ( 1.233 -1.388 0.488) 1.919 32.515 ( 1.810 -2.047 -0.440) 2.768 32.609 ( 1.388 -1.645 -0.282) 2.170 42.531 ( -15.575 -6.520 3.557) 17.256 42.792 ( 10.033 13.240 -6.238) 17.745 43.241 ( 1.879 24.998 16.333) 29.920 44.797 ( -37.188 17.632 -31.166) 51.625 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -30.310 9.289 11.136) 33.600 3.014 ( 11.559 5.342 4.344) 13.455 3.393 ( 1.015 9.178 20.126) 22.143 3.584 ( -11.057 9.859 8.496) 17.077 4.128 ( -0.897 10.787 -1.113) 10.881 4.544 ( -12.561 6.429 7.353) 15.912 4.918 ( 5.822 -0.603 -13.594) 14.800 5.017 ( 18.615 15.725 -1.596) 24.420 5.345 ( -2.521 -2.021 -0.960) 3.370 5.595 ( -1.569 8.547 4.397) 9.739 6.011 ( -0.528 7.064 3.520) 7.910 6.809 ( -0.094 -0.523 -13.812) 13.823 7.010 ( -0.533 1.172 -1.239) 1.787 7.180 ( -16.221 -4.689 -4.723) 17.534 7.385 ( -1.566 16.212 -3.362) 16.631 8.493 ( -1.053 1.348 0.665) 1.835 8.670 ( 4.535 6.124 8.601) 11.491 9.148 ( -1.538 2.839 -0.830) 3.334 10.285 ( 1.871 2.577 -1.903) 3.710 11.091 ( -2.176 3.881 -6.207) 7.637 12.159 ( 3.487 -28.583 4.079) 29.082 20.347 ( -0.797 -3.761 0.180) 3.848 20.429 ( 1.547 -1.135 -1.276) 2.304 20.574 ( 1.720 0.722 -0.214) 1.878 20.616 ( -0.537 0.158 0.399) 0.688 25.001 ( 1.409 -3.499 1.683) 4.131 25.510 ( 0.682 -1.910 0.433) 2.074 32.515 ( 1.018 -2.324 -0.451) 2.577 32.606 ( 0.636 -2.313 -0.119) 2.401 42.256 ( -10.970 -4.788 5.193) 13.047 43.173 ( 19.525 17.034 -10.569) 27.983 43.631 ( 1.079 27.329 19.726) 33.722 44.239 ( -30.506 22.188 -28.975) 47.566 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 2.966 0.065 3.334) 4.463 3.214 ( 1.962 5.158 7.987) 9.708 3.520 ( -3.179 6.966 23.419) 24.639 3.769 ( 14.294 -0.707 1.593) 14.400 4.258 ( -2.585 21.715 1.680) 21.933 4.395 ( -15.297 5.549 -1.570) 16.348 4.880 ( -3.112 3.855 -7.042) 8.610 5.344 ( 10.300 -4.157 -6.875) 13.063 5.437 ( 0.935 23.293 -4.414) 23.726 5.574 ( -0.274 2.557 -4.317) 5.025 6.169 ( 3.957 8.620 8.678) 12.855 6.689 ( -9.578 -3.500 -3.254) 10.704 6.951 ( -6.379 3.184 -5.149) 8.795 7.014 ( 6.226 3.241 -3.370) 7.786 7.529 ( 0.764 15.557 1.476) 15.645 8.476 ( -4.941 1.245 3.797) 6.354 8.821 ( 4.264 3.411 0.233) 5.465 9.196 ( 3.531 4.142 -0.918) 5.519 10.298 ( -0.129 1.286 -3.807) 4.021 11.044 ( -0.340 -3.564 -5.005) 6.153 11.964 ( -0.586 -23.997 9.163) 25.694 20.306 ( 0.066 -3.732 0.882) 3.836 20.425 ( 0.175 -0.677 -1.366) 1.535 20.552 ( -1.202 -1.608 -0.881) 2.192 20.657 ( 1.134 1.990 0.279) 2.308 24.986 ( 0.023 -3.197 1.136) 3.392 25.498 ( -0.010 -1.714 0.186) 1.724 32.500 ( 0.089 -1.859 -0.597) 1.955 32.586 ( -0.140 -2.373 0.088) 2.379 42.151 ( -0.191 -3.147 6.382) 7.118 43.468 ( -6.585 11.016 -6.162) 14.237 43.857 ( 6.146 20.294 -15.692) 26.379 44.192 ( 0.464 32.582 4.733) 32.927 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 29.042 -1.467 -2.805) 29.214 3.389 ( 11.713 1.269 9.561) 15.173 3.696 ( 2.123 -1.203 13.741) 13.956 3.856 ( 6.777 -10.114 1.729) 12.296 4.179 ( -18.434 21.792 -8.678) 29.833 4.429 ( 1.405 8.373 5.655) 10.201 4.787 ( -8.868 1.037 -2.031) 9.156 5.234 ( -23.414 12.783 -10.313) 28.600 5.607 ( 9.589 12.861 0.311) 16.045 5.796 ( 16.469 3.570 -8.466) 18.858 6.388 ( 9.235 7.770 5.408) 13.225 6.453 ( -12.026 -2.440 -0.256) 12.274 6.892 ( 0.730 -0.428 -3.063) 3.178 7.290 ( 13.278 12.998 1.879) 18.676 7.707 ( -0.577 16.976 2.423) 17.157 8.388 ( -7.166 -1.272 4.699) 8.663 8.914 ( 4.755 3.540 -3.716) 6.997 9.268 ( 1.893 0.521 -3.179) 3.737 10.301 ( 0.360 2.711 -1.457) 3.099 10.951 ( 1.086 -12.626 -3.773) 13.222 11.751 ( -6.748 -17.050 8.716) 20.303 20.287 ( 0.909 -2.848 0.982) 3.146 20.417 ( -0.277 0.626 -1.374) 1.535 20.513 ( -0.354 -2.465 -0.800) 2.615 20.673 ( -1.313 1.395 0.198) 1.926 24.955 ( -0.775 -2.571 0.567) 2.745 25.482 ( -0.266 -0.998 0.010) 1.033 32.481 ( -0.267 -0.937 -0.686) 1.192 32.559 ( -0.601 -1.949 0.335) 2.067 42.243 ( 9.122 -2.770 8.485) 12.762 43.284 ( -16.809 14.494 -10.379) 24.502 44.179 ( 16.731 10.522 -14.866) 24.732 44.582 ( 3.653 27.847 10.759) 30.076 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 23.067 -2.974 -4.600) 23.708 3.489 ( -5.476 -16.076 -1.373) 17.038 3.687 ( 13.323 -2.611 4.533) 14.313 4.052 ( 3.698 5.821 1.340) 7.025 4.230 ( 6.386 26.922 -0.121) 27.670 4.495 ( -2.283 -7.544 4.621) 9.137 4.652 ( -4.205 6.901 0.883) 8.129 4.870 ( -25.216 7.169 -3.784) 26.487 5.778 ( -0.675 9.837 -4.678) 10.913 6.119 ( 17.647 2.512 0.297) 17.827 6.249 ( -8.872 0.746 -5.332) 10.377 6.675 ( 7.725 12.418 4.895) 15.422 6.961 ( 11.428 -2.070 -0.551) 11.627 7.625 ( 9.992 7.455 4.045) 13.106 7.839 ( -5.360 19.075 1.825) 19.897 8.295 ( -4.276 -0.992 3.252) 5.463 9.009 ( 5.332 0.994 -5.358) 7.624 9.247 ( -0.881 0.262 -2.817) 2.963 10.342 ( 0.104 3.719 1.645) 4.068 10.789 ( -1.239 -16.625 -3.740) 17.085 11.508 ( -8.684 -12.055 5.182) 15.735 20.290 ( 1.408 -1.357 0.679) 2.070 20.406 ( -1.712 1.024 -0.974) 2.220 20.493 ( 1.641 -2.647 -0.777) 3.210 20.648 ( -2.663 0.591 0.400) 2.757 24.919 ( -1.007 -1.992 0.099) 2.234 25.473 ( -0.115 -0.272 -0.002) 0.296 32.469 ( -0.166 -0.154 -0.525) 0.571 32.534 ( -0.632 -1.329 0.445) 1.537 42.444 ( 10.072 -1.498 8.368) 13.180 43.160 ( -7.592 13.884 -8.200) 17.823 44.393 ( 6.871 3.342 -7.211) 10.506 44.945 ( 6.841 20.083 5.150) 21.832 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 2.046 -15.981 -6.090) 17.224 3.412 ( 0.394 12.350 -4.351) 13.099 3.801 ( 6.514 -8.213 -1.180) 10.549 4.157 ( 4.056 6.867 -2.815) 8.458 4.264 ( -18.591 -1.081 7.553) 20.096 4.495 ( -21.972 4.089 5.429) 22.999 4.733 ( 21.330 10.971 1.972) 24.067 4.851 ( 14.932 3.743 1.111) 15.434 5.773 ( -3.555 2.189 -3.084) 5.190 6.103 ( -7.096 3.151 -5.342) 9.425 6.359 ( 11.283 -5.207 0.329) 12.430 6.885 ( -0.898 13.996 4.797) 14.822 7.262 ( 22.197 4.560 -1.806) 22.732 7.714 ( -1.279 -4.728 2.054) 5.311 7.977 ( -4.002 19.912 2.151) 20.424 8.258 ( -1.728 -0.562 4.638) 4.981 8.976 ( -1.950 -5.731 -8.234) 10.220 9.310 ( 4.625 6.441 0.829) 7.973 10.381 ( -0.967 3.450 3.149) 4.770 10.569 ( -3.216 -13.920 -5.031) 15.147 11.301 ( -5.557 -8.872 1.702) 10.606 20.313 ( 1.402 0.432 0.287) 1.495 20.371 ( -1.976 0.015 -0.583) 2.060 20.504 ( 2.031 -1.579 -0.549) 2.631 20.608 ( -2.131 -0.418 0.482) 2.225 24.886 ( -0.887 -1.569 -0.033) 1.802 25.472 ( 0.084 0.136 0.021) 0.161 32.464 ( -0.241 0.088 -0.074) 0.267 32.519 ( -0.126 -0.653 0.187) 0.691 42.571 ( -0.774 4.967 1.568) 5.266 43.241 ( 7.147 6.159 1.372) 9.534 44.400 ( -3.366 -3.061 -1.573) 4.814 45.258 ( 9.585 14.073 -1.109) 17.063 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 12.624 15.422 -0.155) 19.930 3.415 ( 0.011 3.603 10.921) 11.500 3.706 ( 18.335 1.217 4.646) 18.954 3.790 ( -30.701 0.632 11.231) 32.697 3.948 ( -3.532 5.037 8.709) 10.662 4.595 ( 2.769 0.562 8.824) 9.265 4.626 ( 8.978 -1.394 -11.607) 14.740 5.107 ( -19.176 -5.679 1.844) 20.085 5.592 ( -9.944 11.434 -1.289) 15.208 5.662 ( -6.101 16.940 0.816) 18.024 6.131 ( -3.315 1.865 7.961) 8.823 6.813 ( -1.527 -4.649 -10.996) 12.035 6.882 ( 2.195 4.849 -3.534) 6.389 7.413 ( 0.980 18.420 -3.571) 18.788 7.872 ( -20.814 3.052 -6.917) 22.145 8.437 ( 2.050 -1.546 3.362) 4.230 8.749 ( -4.660 0.965 5.491) 7.266 9.221 ( -2.573 2.359 -1.921) 3.984 10.235 ( 1.027 4.679 2.265) 5.298 10.959 ( 9.770 -6.522 -2.356) 11.980 12.006 ( 5.569 -18.143 -7.753) 20.501 20.329 ( 3.465 -0.258 -1.505) 3.787 20.399 ( -1.355 -0.502 -0.379) 1.494 20.482 ( 1.494 -1.381 1.038) 2.284 20.674 ( -1.356 -0.363 0.135) 1.410 24.932 ( 2.236 -1.916 2.022) 3.572 25.482 ( 0.627 -0.594 -0.006) 0.863 32.473 ( 1.129 -0.942 -0.168) 1.480 32.572 ( 0.985 -1.166 -0.554) 1.624 42.568 ( 5.540 6.011 -11.270) 13.922 42.935 ( -15.238 -1.747 10.061) 18.344 43.517 ( 4.087 22.153 19.595) 29.857 45.328 ( -29.064 9.257 -28.274) 41.591 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 14.822 19.820 5.049) 25.259 3.123 ( -43.183 -7.815 10.384) 45.096 3.545 ( -0.133 7.881 10.966) 13.505 3.897 ( -5.877 -1.265 13.993) 15.230 4.102 ( 10.050 14.374 -3.989) 17.986 4.675 ( 7.810 0.489 -8.697) 11.699 4.733 ( 1.947 -4.775 2.694) 5.818 4.852 ( 0.952 3.870 -11.359) 12.038 5.484 ( -8.232 5.236 0.473) 9.768 5.881 ( -3.263 25.140 10.038) 27.266 6.090 ( -2.915 0.039 3.754) 4.753 6.697 ( -0.187 -2.078 -9.926) 10.143 7.017 ( 4.462 5.899 -1.384) 7.525 7.475 ( -22.426 3.523 -7.558) 23.926 7.575 ( -1.972 16.175 -2.386) 16.468 8.427 ( 3.648 -4.519 -1.830) 6.089 8.783 ( -2.617 6.414 9.217) 11.530 9.201 ( -1.746 1.733 -0.545) 2.520 10.293 ( -0.082 3.331 0.010) 3.332 11.027 ( 5.819 -6.187 -3.048) 9.024 11.848 ( 4.335 -22.546 -0.756) 22.972 20.332 ( -1.029 -2.464 -1.040) 2.866 20.390 ( 1.435 -0.162 -0.091) 1.447 20.533 ( 3.663 0.491 0.662) 3.755 20.636 ( -1.908 -1.085 -0.056) 2.196 24.953 ( 1.681 -2.411 1.382) 3.248 25.485 ( 0.571 -0.963 0.027) 1.120 32.480 ( 0.880 -1.037 -0.287) 1.390 32.571 ( 0.845 -1.812 -0.304) 2.023 42.455 ( -13.504 -4.685 3.419) 14.697 43.011 ( 11.684 16.301 -8.788) 21.897 43.941 ( 5.058 23.719 22.149) 32.844 44.777 ( -29.561 11.743 -25.513) 40.776 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -33.766 -5.686 8.156) 35.200 3.231 ( 9.025 9.277 5.951) 14.245 3.634 ( -0.147 1.067 -0.579) 1.222 3.768 ( -9.004 -4.700 19.132) 21.661 4.386 ( 1.706 12.661 -0.740) 12.797 4.639 ( -3.845 3.326 -3.220) 6.018 4.863 ( 17.004 5.405 -11.536) 21.247 4.964 ( 7.673 5.616 -13.574) 16.573 5.497 ( 1.192 8.400 5.278) 9.992 5.891 ( -11.857 5.899 2.245) 13.432 6.226 ( 1.667 13.203 0.037) 13.308 6.693 ( 3.305 1.220 -0.946) 3.648 7.023 ( -7.772 -1.384 3.510) 8.639 7.178 ( -12.605 12.421 -9.479) 20.075 7.703 ( -0.446 16.768 1.370) 16.830 8.480 ( 6.225 -1.736 -4.017) 7.609 8.830 ( -2.382 1.215 8.652) 9.056 9.199 ( -0.127 3.224 -1.398) 3.516 10.293 ( -0.894 1.022 -3.176) 3.454 10.970 ( -0.585 -10.958 -2.054) 11.164 11.764 ( 5.943 -17.123 7.365) 19.564 20.285 ( -1.074 -2.743 0.521) 2.991 20.406 ( 0.911 -0.454 -0.529) 1.147 20.557 ( -1.194 -1.181 -0.893) 1.902 20.638 ( 2.593 1.116 0.339) 2.844 24.955 ( 0.798 -2.557 0.621) 2.750 25.483 ( 0.253 -0.990 -0.006) 1.022 32.479 ( 0.392 -0.958 -0.452) 1.129 32.563 ( 0.418 -1.886 0.011) 1.932 42.235 ( -9.090 -3.362 6.139) 11.473 43.367 ( 16.499 14.985 -12.789) 25.697 44.103 ( -17.351 9.821 -13.176) 23.898 44.586 ( -2.921 28.550 13.417) 31.680 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 1.349 -1.951 2.825) 3.689 3.289 ( -1.757 -13.069 6.272) 14.602 3.650 ( 4.735 2.594 -5.568) 7.756 3.805 ( 1.350 1.733 16.692) 16.836 4.353 ( -2.461 -2.468 -5.283) 6.329 4.578 ( -5.078 1.400 -8.926) 10.364 4.957 ( -6.704 14.240 -9.555) 18.412 5.347 ( 23.595 10.400 1.117) 25.809 5.628 ( -5.970 7.628 -3.274) 10.224 5.782 ( -3.101 11.001 -1.224) 11.495 6.302 ( 1.503 4.839 -6.904) 8.564 6.667 ( -10.119 2.497 11.078) 15.210 6.947 ( -5.409 1.501 -1.476) 5.804 7.219 ( 7.755 14.958 -3.803) 17.273 7.909 ( 1.430 18.045 6.100) 19.102 8.489 ( -2.088 -2.523 -0.997) 3.423 8.836 ( 1.977 -2.337 1.431) 3.380 9.238 ( 1.088 3.098 -1.583) 3.645 10.283 ( 1.332 1.269 -3.688) 4.122 10.818 ( -1.798 -14.068 0.591) 14.194 11.725 ( -0.183 -12.686 9.808) 16.036 20.253 ( 0.074 -2.632 1.074) 2.844 20.412 ( 0.655 0.152 -0.788) 1.036 20.514 ( -1.846 -0.933 -0.731) 2.194 20.685 ( 1.130 0.825 -0.070) 1.401 24.938 ( -0.003 -2.388 -0.130) 2.391 25.476 ( -0.010 -0.617 -0.006) 0.617 32.471 ( 0.033 -0.637 -0.646) 0.908 32.550 ( -0.080 -1.430 0.421) 1.492 42.173 ( 0.873 -2.278 7.861) 8.231 43.592 ( -5.240 8.843 -7.676) 12.829 43.887 ( 4.866 10.672 -28.749) 31.050 44.973 ( -0.466 26.941 25.143) 36.854 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 25.469 -1.492 -3.023) 25.691 3.172 ( 7.827 -21.273 2.539) 22.809 3.668 ( -1.769 2.976 -4.492) 5.671 3.967 ( 5.727 -2.207 12.426) 13.859 4.330 ( 6.272 -5.507 -5.389) 9.935 4.450 ( -3.883 6.690 -8.292) 11.340 4.890 ( -11.113 11.031 -5.908) 16.735 5.402 ( -22.357 12.951 -5.162) 26.348 5.796 ( 18.822 1.198 3.951) 19.269 5.922 ( -1.516 13.354 -3.534) 13.897 6.302 ( 2.562 -2.344 -8.396) 9.086 6.674 ( -0.951 7.474 8.095) 11.059 6.913 ( -0.066 7.477 2.658) 7.935 7.518 ( 11.528 7.693 0.810) 13.883 8.118 ( -1.667 17.480 5.426) 18.378 8.387 ( -5.356 -2.489 1.667) 6.137 8.862 ( 5.292 -5.275 -4.201) 8.572 9.274 ( -0.436 5.414 0.072) 5.432 10.328 ( 3.851 1.319 -2.898) 4.997 10.647 ( -2.611 -14.876 1.839) 15.215 11.594 ( -7.643 -9.816 8.414) 15.019 20.249 ( 1.494 -2.122 1.070) 2.807 20.427 ( 1.347 0.538 -1.025) 1.776 20.470 ( -2.540 -0.167 -0.236) 2.557 20.687 ( -1.261 0.072 -0.091) 1.267 24.910 ( -0.450 -2.058 -0.686) 2.215 25.472 ( -0.039 -0.121 0.062) 0.142 32.464 ( 0.086 -0.191 -0.741) 0.770 32.537 ( -0.533 -0.799 0.774) 1.233 42.291 ( 9.553 -2.197 9.853) 13.898 43.426 ( -13.245 11.556 -12.016) 21.292 44.055 ( 16.769 1.157 -23.192) 28.643 45.298 ( -5.037 22.562 24.666) 33.805 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 13.066 -12.072 -6.013) 18.778 3.246 ( 16.030 -5.383 -1.461) 16.973 3.683 ( 4.493 0.549 -0.787) 4.594 3.979 ( 3.453 -15.542 1.031) 15.954 4.344 ( 5.655 -5.202 -3.103) 8.287 4.608 ( 7.984 10.929 -0.624) 13.549 4.787 ( -5.537 7.438 -3.114) 9.782 5.127 ( -25.154 19.448 -2.290) 31.878 5.879 ( -7.534 1.863 -0.978) 7.823 6.061 ( 12.660 -4.428 0.099) 13.412 6.260 ( -4.663 3.415 -5.545) 8.009 6.896 ( 19.482 2.175 1.331) 19.648 7.080 ( 0.478 14.302 6.420) 15.684 7.685 ( 2.720 -0.453 0.888) 2.897 8.246 ( -4.953 15.334 1.276) 16.165 8.319 ( -1.758 -0.717 5.326) 5.654 8.846 ( 3.627 -7.757 -5.945) 10.424 9.350 ( 0.418 8.146 2.633) 8.571 10.378 ( 4.161 -3.910 -4.449) 7.239 10.478 ( -3.844 -7.762 3.643) 9.397 11.391 ( -10.235 -6.562 5.335) 13.277 20.273 ( 2.611 -1.161 0.938) 3.007 20.421 ( -2.655 -0.276 -0.100) 2.671 20.457 ( 1.415 1.264 -0.803) 2.060 20.649 ( -2.636 -0.655 -0.052) 2.717 24.879 ( -0.504 -1.717 -0.853) 1.983 25.473 ( 0.044 0.203 0.121) 0.240 32.463 ( 0.219 0.087 -0.657) 0.698 32.526 ( -0.721 -0.232 0.875) 1.157 42.515 ( 11.400 -1.313 10.286) 15.411 43.306 ( -6.400 10.400 -10.614) 16.180 44.168 ( 12.209 -6.910 -18.660) 23.346 45.503 ( -7.295 18.669 19.907) 28.250 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 12.060 16.433 1.661) 20.451 3.188 ( 22.163 -5.039 0.714) 22.739 3.567 ( 0.104 1.063 7.926) 7.998 4.093 ( -0.540 6.481 2.313) 6.902 4.260 ( 17.045 -8.097 -1.199) 18.909 4.316 ( -12.345 11.535 7.416) 18.451 4.763 ( -9.438 0.071 10.156) 13.865 5.345 ( -20.995 -11.657 2.972) 24.197 5.842 ( 1.755 13.055 -1.870) 13.304 5.887 ( -9.999 6.343 0.274) 11.844 6.195 ( 1.202 1.013 5.558) 5.776 6.763 ( -0.513 -0.306 -4.043) 4.087 7.006 ( -12.193 7.052 -9.031) 16.732 7.542 ( 0.634 13.885 -1.805) 14.017 8.198 ( -15.396 4.618 -4.440) 16.676 8.389 ( 2.748 -2.247 1.566) 3.880 8.795 ( 2.185 -1.202 4.038) 4.746 9.306 ( -6.594 3.835 -3.934) 8.583 10.275 ( 1.847 4.042 3.544) 5.684 10.686 ( 10.115 -9.272 -2.806) 14.006 11.724 ( 4.283 -13.744 -8.332) 16.633 20.268 ( 2.765 0.152 -1.400) 3.103 20.411 ( 1.013 1.081 1.108) 1.850 20.471 ( -2.446 -1.900 -0.432) 3.128 20.685 ( -0.558 -1.029 0.245) 1.196 24.892 ( 1.765 -1.339 1.588) 2.726 25.474 ( 0.040 -0.053 -0.138) 0.153 32.455 ( 0.519 -0.155 0.409) 0.679 32.550 ( 0.165 -0.700 -0.850) 1.114 42.461 ( 7.401 7.736 -12.080) 16.141 43.230 ( -15.248 -4.650 12.838) 20.468 43.718 ( 6.521 15.890 20.472) 26.724 45.685 ( -22.301 4.266 -25.051) 33.809 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 15.158 16.172 5.889) 22.934 3.451 ( 5.488 -13.675 3.833) 15.225 3.654 ( 4.482 8.085 7.987) 12.217 4.028 ( -15.151 4.234 4.078) 16.251 4.267 ( -5.196 21.770 -2.278) 22.497 4.530 ( 12.051 -2.752 -0.435) 12.369 4.647 ( -3.608 2.502 -0.794) 4.462 4.873 ( -14.437 -15.489 -2.473) 21.318 5.724 ( -10.721 5.713 1.759) 12.275 6.101 ( 5.278 10.762 5.749) 13.294 6.162 ( -4.530 0.365 2.521) 5.197 6.766 ( -8.407 9.929 -6.867) 14.712 6.975 ( 6.586 8.603 -2.544) 11.129 7.682 ( 2.673 10.570 -2.723) 11.237 7.888 ( -22.613 4.966 -4.237) 23.536 8.342 ( -1.064 -4.513 -2.622) 5.327 8.899 ( 1.947 3.164 8.622) 9.389 9.241 ( -2.809 2.283 -2.045) 4.157 10.343 ( -0.944 3.685 1.382) 4.048 10.769 ( 12.157 -10.855 -1.124) 16.337 11.584 ( 2.593 -16.713 -4.575) 17.520 20.307 ( 1.766 0.096 -1.447) 2.285 20.395 ( -2.224 -0.823 0.399) 2.405 20.479 ( 3.421 0.271 0.997) 3.574 20.651 ( -1.567 -1.858 -0.057) 2.431 24.912 ( 1.527 -1.706 0.990) 2.494 25.473 ( 0.147 -0.218 -0.097) 0.280 32.464 ( 0.393 -0.137 0.163) 0.447 32.542 ( 0.516 -1.253 -0.554) 1.464 42.566 ( -0.337 3.211 -6.539) 7.293 43.063 ( -6.130 7.039 3.436) 9.946 44.131 ( 9.098 16.245 21.666) 28.567 45.195 ( -24.817 5.533 -22.071) 33.670 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( -36.023 -10.471 9.488) 38.695 3.154 ( 13.255 5.747 6.182) 15.714 3.773 ( -13.755 9.247 -3.493) 16.938 3.889 ( -1.293 -7.768 12.777) 15.009 4.425 ( 1.307 -6.826 -12.278) 14.109 4.570 ( 5.895 11.879 -2.526) 13.500 4.618 ( 6.580 3.015 -3.253) 7.935 4.880 ( 11.023 12.618 -8.354) 18.722 5.656 ( -5.755 6.946 3.470) 9.665 6.010 ( -5.952 -6.234 4.614) 9.777 6.381 ( 2.769 15.323 -0.301) 15.574 6.691 ( -3.150 5.398 -1.758) 6.492 7.154 ( -0.756 9.611 1.961) 9.838 7.554 ( -21.116 10.736 -5.286) 24.271 7.809 ( 4.247 8.175 -2.493) 9.544 8.310 ( 4.284 -3.445 -2.903) 6.217 8.956 ( -3.294 0.643 9.142) 9.739 9.229 ( -0.727 3.246 -1.058) 3.491 10.324 ( -3.048 1.160 -2.321) 4.003 10.812 ( 5.243 -13.383 1.468) 14.448 11.519 ( 8.220 -12.331 2.454) 15.022 20.294 ( -1.802 -0.967 0.128) 2.049 20.383 ( 0.975 -0.566 0.169) 1.140 20.541 ( 2.068 -0.200 -0.093) 2.080 20.616 ( 0.218 -0.502 -0.142) 0.566 24.919 ( 1.027 -1.971 0.180) 2.230 25.473 ( 0.121 -0.266 -0.040) 0.295 32.466 ( 0.177 -0.297 -0.199) 0.399 32.538 ( 0.644 -1.192 -0.075) 1.357 42.420 ( -11.977 -3.150 4.536) 13.189 43.222 ( 9.961 15.337 -10.883) 21.282 44.349 ( -9.336 2.073 -4.523) 10.579 44.952 ( -5.002 21.379 8.376) 23.500 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -30.774 -3.641 7.970) 31.997 3.262 ( -7.271 -13.806 1.365) 15.663 3.611 ( 2.361 4.375 0.058) 4.972 3.903 ( -2.257 3.344 7.392) 8.421 4.267 ( -0.860 -10.314 -14.074) 17.470 4.514 ( 2.350 -5.863 -8.370) 10.486 5.057 ( 6.983 13.112 -8.160) 16.949 5.135 ( 15.542 15.391 -1.230) 21.908 5.711 ( 0.875 7.670 4.310) 8.841 5.887 ( -5.734 -1.761 0.219) 6.002 6.422 ( -6.474 10.162 -6.482) 13.681 6.819 ( 6.245 4.052 9.466) 12.042 7.108 ( -12.346 6.088 2.960) 14.080 7.374 ( -11.242 15.691 -7.634) 20.757 7.997 ( 8.400 7.938 1.958) 11.722 8.366 ( 6.413 -2.573 -4.043) 8.006 8.893 ( -6.519 -4.111 8.047) 11.143 9.274 ( 0.275 6.959 0.129) 6.965 10.275 ( -1.552 1.036 -3.412) 3.889 10.720 ( -0.644 -13.255 2.633) 13.530 11.593 ( 7.822 -9.928 7.520) 14.707 20.253 ( -1.759 -1.497 1.066) 2.544 20.396 ( 0.799 -0.301 -0.328) 0.914 20.531 ( -0.927 -0.331 -0.513) 1.110 20.657 ( 2.720 0.625 -0.078) 2.791 24.910 ( 0.435 -2.050 -0.639) 2.191 25.472 ( 0.034 -0.122 0.039) 0.133 32.462 ( 0.040 -0.442 -0.559) 0.714 32.540 ( 0.414 -0.628 0.477) 0.891 42.247 ( -7.447 -2.655 7.431) 10.850 43.485 ( 12.237 11.575 -14.763) 22.398 44.016 ( -16.808 1.435 -18.946) 25.368 45.317 ( 4.106 22.625 25.249) 34.151 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -1.083 0.727 2.914) 3.193 2.941 ( -3.886 -19.344 -0.080) 19.731 3.696 ( -0.915 1.146 -7.966) 8.100 3.946 ( 0.692 -3.369 11.734) 12.228 4.133 ( 3.737 -5.118 -11.838) 13.428 4.459 ( 1.717 0.379 -8.270) 8.455 5.094 ( -5.143 9.772 -14.895) 18.542 5.516 ( 15.572 -0.736 6.344) 16.830 5.752 ( -11.131 5.752 -2.730) 12.823 5.894 ( 12.414 5.066 1.189) 13.460 6.352 ( -10.431 7.705 -6.686) 14.590 6.931 ( -13.522 7.282 3.427) 15.736 7.005 ( 2.721 5.146 8.206) 10.061 7.448 ( 5.324 12.306 -1.388) 13.480 8.209 ( 7.425 3.077 2.012) 8.285 8.400 ( 0.775 0.841 -1.928) 2.242 8.784 ( -3.335 -6.059 3.919) 7.949 9.365 ( -0.341 10.026 2.277) 10.287 10.262 ( 1.129 -0.300 -3.320) 3.519 10.589 ( -2.392 -10.320 3.046) 11.023 11.615 ( 0.120 -8.638 8.783) 12.320 20.224 ( -0.311 -1.641 1.141) 2.023 20.400 ( 0.755 -0.353 -1.071) 1.357 20.519 ( -1.421 1.532 0.411) 2.129 20.690 ( 0.746 -0.066 -0.196) 0.774 24.889 ( -0.023 -1.942 -1.243) 2.306 25.473 ( -0.002 0.121 0.123) 0.173 32.456 ( 0.124 -0.230 -0.783) 0.825 32.543 ( -0.082 -0.073 0.915) 0.922 42.217 ( 1.866 -2.288 9.144) 9.609 43.649 ( -4.198 5.712 -9.119) 11.550 43.735 ( 3.203 3.134 -25.810) 26.196 45.687 ( -0.671 18.875 26.194) 32.293 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 14.374 -7.035 -1.039) 16.037 2.907 ( 15.819 -5.491 -1.021) 16.776 3.575 ( 0.988 -7.039 -11.488) 13.509 3.857 ( -4.962 -16.290 6.888) 18.369 4.177 ( 6.214 1.588 -5.748) 8.613 4.559 ( 7.740 7.611 -4.353) 11.695 4.968 ( -9.098 6.017 -11.376) 15.761 5.566 ( -11.869 4.052 -1.216) 12.601 5.765 ( 11.751 -4.877 3.642) 13.234 6.135 ( -12.263 8.464 -0.804) 14.922 6.205 ( 9.794 1.192 -6.809) 11.988 6.797 ( -4.627 4.405 1.242) 6.508 7.202 ( 4.079 8.135 7.917) 12.062 7.642 ( 4.395 4.395 1.425) 6.377 8.305 ( 3.776 -2.243 2.629) 5.119 8.425 ( -1.998 6.499 0.455) 6.814 8.709 ( 1.099 -7.361 -0.232) 7.446 9.466 ( -1.456 9.458 3.990) 10.368 10.249 ( 1.790 -4.528 -3.021) 5.730 10.502 ( -1.560 -2.068 2.507) 3.605 11.522 ( -7.449 -5.815 7.679) 12.176 20.227 ( 1.737 -1.211 1.057) 2.367 20.408 ( 0.996 -0.187 -1.162) 1.542 20.510 ( -2.379 2.592 0.837) 3.616 20.677 ( -1.590 -0.828 -0.293) 1.816 24.862 ( -0.190 -1.725 -1.448) 2.260 25.476 ( 0.022 0.299 0.172) 0.345 32.455 ( 0.316 0.157 -0.856) 0.926 32.544 ( -0.625 0.304 1.131) 1.328 42.352 ( 10.280 -2.528 10.819) 15.137 43.466 ( -9.227 5.700 -14.697) 18.266 43.811 ( 11.233 -2.848 -18.375) 21.724 45.917 ( -6.868 15.514 23.597) 29.063 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -0.000 0.000 21.861) 21.861 1.648 ( -0.000 0.000 21.861) 21.861 2.996 ( 0.000 -0.000 -2.887) 2.887 2.996 ( 0.000 -0.000 -2.887) 2.887 3.478 ( -0.000 0.000 46.887) 46.887 3.891 ( -0.000 0.000 5.887) 5.887 5.473 ( 0.000 -0.000 -4.086) 4.086 5.520 ( 0.000 0.000 0.069) 0.069 5.520 ( -0.000 0.000 0.069) 0.069 5.693 ( 0.000 -0.000 -9.225) 9.225 5.891 ( 0.000 -0.000 -8.802) 8.802 5.891 ( 0.000 -0.000 -8.802) 8.802 7.128 ( 0.000 -0.000 -22.703) 22.703 7.293 ( -0.000 0.000 1.137) 1.137 7.293 ( -0.000 0.000 1.137) 1.137 8.373 ( -0.000 0.000 5.899) 5.899 8.373 ( -0.000 0.000 5.899) 5.899 9.412 ( -0.000 0.000 1.158) 1.158 10.230 ( 0.000 -0.000 -1.952) 1.952 10.230 ( 0.000 -0.000 -1.952) 1.952 13.153 ( -0.000 0.000 3.010) 3.010 20.503 ( 0.000 0.000 0.427) 0.427 20.503 ( -0.000 0.000 0.427) 0.427 20.568 ( 0.000 -0.000 -0.663) 0.663 20.568 ( 0.000 -0.000 -0.663) 0.663 25.187 ( 0.000 -0.000 -1.838) 1.838 25.617 ( -0.000 0.000 1.518) 1.518 32.664 ( -0.000 0.000 0.047) 0.047 32.699 ( -0.000 0.000 0.001) 0.001 42.418 ( -0.000 0.000 5.700) 5.700 42.418 ( -0.000 0.000 5.700) 5.700 42.916 ( 0.000 -0.000 -6.069) 6.069 42.916 ( 0.000 -0.000 -6.069) 6.069 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 5.947 28.149 16.573) 33.202 2.192 ( 39.789 0.293 12.836) 41.809 2.916 ( 1.948 3.064 0.154) 3.634 3.368 ( 24.090 14.362 -0.077) 28.046 3.708 ( -2.763 -3.754 10.410) 11.406 3.850 ( -0.254 -2.782 34.697) 34.809 5.262 ( -17.245 -0.254 0.455) 17.253 5.340 ( -5.596 -13.437 -4.700) 15.296 5.385 ( -10.818 -7.186 -8.258) 15.390 5.678 ( -1.170 9.521 1.298) 9.680 5.812 ( -1.178 9.729 -5.722) 11.349 6.262 ( 27.701 -2.385 -10.388) 29.681 7.027 ( -0.323 -0.089 -12.717) 12.721 7.209 ( -5.073 -1.415 -0.521) 5.292 7.367 ( 4.896 1.674 -4.350) 6.760 8.381 ( 0.941 -3.537 6.691) 7.627 8.499 ( 3.753 8.687 4.005) 10.276 9.219 ( -9.420 -5.444 1.293) 10.956 10.190 ( -1.139 -0.730 -0.821) 1.582 10.619 ( 23.837 13.631 -6.002) 28.107 13.002 ( -13.238 -7.847 1.822) 15.496 20.453 ( -2.302 -1.998 0.512) 3.091 20.508 ( -1.953 -0.957 -1.413) 2.593 20.542 ( -0.570 0.685 1.029) 1.361 20.600 ( 1.754 0.567 -0.510) 1.913 25.135 ( -3.531 -2.023 -0.289) 4.079 25.591 ( -2.486 -1.435 1.517) 3.247 32.627 ( -2.951 -1.608 -0.019) 3.360 32.678 ( -1.556 -0.979 0.085) 1.840 42.425 ( 5.792 1.477 7.781) 9.812 42.630 ( 6.017 4.664 0.782) 7.653 42.744 ( -2.315 -2.664 -1.112) 3.700 43.446 ( 37.753 23.683 -16.384) 47.483 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 1.043 13.475 0.425) 13.522 3.010 ( 31.506 18.443 6.305) 37.048 3.173 ( 19.337 5.516 13.393) 24.161 3.518 ( -3.496 -7.079 2.978) 8.438 3.959 ( 22.645 12.379 5.875) 26.468 4.175 ( 12.559 1.367 26.412) 29.278 4.861 ( -19.110 -6.357 -9.378) 22.216 5.077 ( -10.549 -4.623 -2.956) 11.891 5.258 ( 0.736 -0.945 1.783) 2.148 5.669 ( -6.982 10.223 -7.374) 14.409 5.949 ( 5.380 4.482 7.903) 10.559 6.598 ( 22.253 -3.731 -11.737) 25.433 6.946 ( -2.423 -6.695 0.591) 7.144 7.130 ( -4.310 3.727 -5.324) 7.798 7.475 ( 9.851 5.644 -9.857) 15.035 8.396 ( 1.794 -5.035 7.484) 9.197 8.680 ( 2.657 12.468 2.107) 12.921 9.124 ( 0.463 -0.752 0.165) 0.898 10.171 ( -0.133 -0.825 1.013) 1.314 10.998 ( 10.816 6.694 -5.707) 13.942 12.635 ( -17.604 -10.671 -2.625) 20.752 20.396 ( -2.054 -2.659 0.178) 3.364 20.451 ( -2.597 -0.095 -1.533) 3.017 20.538 ( -1.317 0.223 1.230) 1.816 20.632 ( 1.794 0.296 -0.250) 1.835 25.051 ( -3.931 -2.236 1.281) 4.700 25.540 ( -2.437 -1.410 0.903) 2.957 32.555 ( -3.193 -1.670 -0.228) 3.611 32.635 ( -2.010 -1.313 -0.047) 2.401 42.547 ( -1.229 -5.863 -9.968) 11.629 42.695 ( 12.016 8.382 13.260) 19.761 42.933 ( 8.976 6.791 10.260) 15.230 44.253 ( 39.403 24.592 -26.839) 53.644 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -6.077 5.983 -5.719) 10.268 3.338 ( 7.648 -2.211 0.968) 8.020 3.598 ( 7.064 -0.284 12.056) 13.976 3.753 ( 15.740 7.195 12.560) 21.384 4.219 ( -11.023 11.061 7.162) 17.179 4.475 ( 9.891 1.205 3.893) 10.697 4.608 ( 3.748 -3.221 -9.474) 10.685 4.988 ( 12.577 -9.515 9.890) 18.615 5.434 ( 8.907 17.928 1.023) 20.045 5.618 ( -4.283 7.752 -5.760) 10.565 6.102 ( 4.244 -0.138 8.674) 9.658 6.803 ( 7.131 1.367 -3.174) 7.924 6.872 ( 0.089 0.097 -5.915) 5.916 7.078 ( 3.774 -3.127 -4.183) 6.444 7.719 ( 15.199 9.632 -10.275) 20.721 8.423 ( 2.358 -5.194 7.553) 9.465 8.824 ( -0.303 10.694 0.091) 10.698 9.167 ( 3.415 0.474 -0.206) 3.454 10.182 ( 1.245 -0.868 2.968) 3.334 11.044 ( -4.787 -1.497 -2.633) 5.665 12.227 ( -15.055 -9.209 -8.215) 19.466 20.332 ( -2.262 -2.470 -0.695) 3.420 20.415 ( -1.153 0.480 -0.880) 1.528 20.518 ( -1.853 0.341 1.196) 2.232 20.662 ( 1.708 -0.181 -0.010) 1.717 24.979 ( -3.108 -1.756 1.577) 3.902 25.498 ( -1.480 -0.859 0.227) 1.727 32.495 ( -2.041 -0.993 -0.224) 2.281 32.590 ( -1.685 -1.143 -0.245) 2.051 42.423 ( -1.470 -3.744 -10.707) 11.438 43.091 ( 14.199 7.002 20.256) 25.709 43.205 ( 8.419 7.244 10.631) 15.374 44.918 ( 31.044 19.346 -28.999) 46.679 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -4.726 2.242 -4.913) 7.176 3.348 ( -14.874 -7.915 -0.855) 16.871 3.554 ( 5.014 -1.586 6.690) 8.509 3.982 ( 4.895 -0.050 -1.859) 5.237 4.222 ( -3.374 -1.380 8.935) 9.650 4.463 ( -7.028 1.548 3.437) 7.975 4.774 ( 10.282 7.394 13.654) 18.623 5.357 ( 25.971 -6.067 0.044) 26.671 5.630 ( -1.050 9.689 -2.810) 10.143 5.770 ( 9.011 9.462 0.252) 13.068 6.189 ( 3.284 1.021 6.888) 7.699 6.850 ( -2.793 10.973 -9.472) 14.762 6.908 ( 2.799 7.222 0.565) 7.766 7.208 ( 16.348 -5.783 -1.724) 17.426 8.021 ( 15.337 6.818 -8.095) 18.635 8.427 ( -0.810 -5.227 6.849) 8.654 8.864 ( -3.547 5.083 -2.063) 6.533 9.233 ( 4.153 1.861 -1.106) 4.683 10.224 ( 2.316 -0.875 3.858) 4.584 10.843 ( -12.029 -4.615 -2.171) 13.065 11.879 ( -11.360 -6.807 -10.092) 16.650 20.271 ( -2.090 -1.464 -1.163) 2.804 20.405 ( -0.170 -0.352 0.186) 0.433 20.504 ( -1.063 1.395 0.516) 1.828 20.683 ( 1.148 -0.605 0.162) 1.308 24.927 ( -2.301 -1.295 1.341) 2.962 25.477 ( -0.479 -0.277 -0.044) 0.555 32.465 ( -0.890 -0.428 0.240) 1.016 32.558 ( -0.908 -0.608 -0.539) 1.218 42.314 ( -1.141 -3.089 -10.348) 10.860 43.454 ( 4.139 10.955 10.204) 15.533 43.471 ( 12.342 -0.272 24.506) 27.440 45.384 ( 22.707 14.116 -27.529) 38.376 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 9.137 5.366 17.464) 20.427 2.375 ( -8.148 36.678 9.871) 38.847 3.050 ( 1.977 14.896 3.342) 15.394 3.197 ( 0.265 14.042 -3.451) 14.462 3.767 ( -1.891 -3.678 1.840) 4.526 4.082 ( -1.675 5.453 38.588) 39.007 5.207 ( 2.290 -17.212 -0.101) 17.364 5.231 ( -0.527 -16.067 -7.293) 17.652 5.494 ( -7.658 -0.781 -3.253) 8.357 5.737 ( 16.180 1.539 -4.327) 16.820 5.769 ( 8.262 5.597 -1.569) 10.102 6.177 ( -18.093 22.276 -11.898) 31.066 6.974 ( 0.848 5.478 -14.437) 15.465 7.256 ( 4.790 -4.244 0.205) 6.403 7.272 ( -5.126 -3.904 0.094) 6.444 8.414 ( -2.881 0.097 5.409) 6.129 8.525 ( 4.463 8.037 3.090) 9.698 9.223 ( 0.130 -11.144 1.228) 11.212 10.247 ( -0.036 1.973 -2.576) 3.245 10.541 ( -0.144 24.907 -3.675) 25.177 12.987 ( -0.138 -19.366 2.753) 19.561 20.453 ( -0.383 -3.426 0.754) 3.529 20.501 ( 0.042 -2.093 -1.350) 2.491 20.564 ( 1.260 1.662 0.774) 2.224 20.585 ( -0.869 0.678 -0.602) 1.256 25.134 ( 0.011 -3.521 -0.361) 3.540 25.598 ( -0.000 -2.853 1.241) 3.111 32.627 ( 0.066 -3.409 -0.007) 3.410 32.678 ( -0.058 -1.843 0.082) 1.846 42.316 ( -0.583 -7.252 6.101) 9.495 42.831 ( 0.318 25.336 9.354) 27.009 43.003 ( -15.795 20.812 -14.617) 29.938 43.060 ( 15.979 13.336 -7.690) 22.188 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 29.550 7.927 1.601) 30.637 2.663 ( 1.291 33.426 4.919) 33.811 3.167 ( 0.727 9.921 10.687) 14.601 3.616 ( -4.623 -0.606 7.417) 8.761 3.716 ( 22.423 20.591 -3.476) 30.641 4.300 ( -0.568 6.421 29.696) 30.388 4.962 ( -7.281 -16.491 -7.022) 19.346 5.063 ( -5.551 -8.245 -10.527) 14.478 5.309 ( -5.463 0.083 2.522) 6.018 5.921 ( 1.010 7.000 -5.749) 9.115 6.038 ( -10.134 16.793 -0.619) 19.623 6.103 ( 21.991 0.181 -4.179) 22.385 6.968 ( -3.262 -0.611 -0.994) 3.465 7.209 ( 1.716 5.300 -5.398) 7.757 7.279 ( 5.041 -4.668 -2.830) 7.430 8.403 ( -2.085 -1.144 5.903) 6.364 8.708 ( 6.025 8.872 -1.140) 10.785 9.138 ( -1.471 -0.795 0.630) 1.787 10.214 ( -2.880 2.246 -0.615) 3.704 10.870 ( 11.373 15.270 -4.754) 19.625 12.692 ( -9.776 -23.841 1.546) 25.814 20.404 ( -1.708 -3.214 0.794) 3.725 20.463 ( -0.966 -1.879 -1.505) 2.594 20.573 ( -1.034 0.693 0.240) 1.268 20.603 ( 1.248 0.711 0.010) 1.437 25.079 ( -2.094 -3.524 0.541) 4.134 25.560 ( -1.575 -2.720 0.836) 3.252 32.574 ( -1.887 -3.295 -0.177) 3.801 32.647 ( -1.235 -2.147 0.082) 2.478 42.382 ( 10.578 -6.850 7.309) 14.568 42.762 ( -13.850 12.116 -8.201) 20.146 43.165 ( -0.062 29.109 13.915) 32.264 43.717 ( 36.020 23.340 -22.086) 48.270 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -12.502 31.678 -8.352) 35.065 3.100 ( 15.351 -7.046 -2.395) 17.059 3.437 ( 21.193 8.623 8.454) 24.392 3.680 ( 5.300 9.980 14.670) 18.518 4.273 ( 17.420 16.109 -1.965) 23.808 4.472 ( 3.071 -1.762 16.111) 16.495 4.599 ( -15.495 -5.556 -5.469) 17.346 4.830 ( -3.919 -13.651 1.309) 14.263 5.395 ( 8.232 9.254 -2.252) 12.589 5.881 ( -9.258 18.208 -9.359) 22.469 6.097 ( 1.559 0.430 5.558) 5.788 6.466 ( 20.322 0.209 -0.476) 20.329 6.899 ( -2.009 0.130 3.872) 4.364 7.186 ( -7.703 5.323 -2.087) 9.593 7.464 ( 16.623 5.902 -9.160) 19.876 8.390 ( -0.142 -3.531 6.629) 7.512 8.866 ( 5.158 5.864 -3.451) 8.538 9.157 ( -0.135 4.942 -0.820) 5.012 10.206 ( -1.089 1.947 2.511) 3.359 11.061 ( 1.900 3.454 -3.414) 5.215 12.267 ( -12.160 -21.840 -2.956) 25.171 20.347 ( -2.140 -2.196 0.070) 3.067 20.427 ( -0.845 -0.988 -1.083) 1.692 20.561 ( -1.452 0.540 0.713) 1.705 20.624 ( 1.368 -0.580 -0.089) 1.488 25.012 ( -2.480 -2.748 0.881) 3.805 25.513 ( -1.516 -1.751 0.283) 2.334 32.513 ( -1.818 -2.012 -0.297) 2.728 32.603 ( -1.528 -1.910 0.046) 2.446 42.445 ( -3.681 1.740 -4.664) 6.191 42.810 ( 13.783 -0.558 8.676) 16.296 43.519 ( -2.126 30.118 16.678) 34.493 44.397 ( 34.282 18.400 -26.958) 47.334 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -23.983 28.592 -9.192) 38.434 3.287 ( 14.794 -2.462 -1.239) 15.048 3.590 ( -4.982 -1.418 5.395) 7.479 3.978 ( -3.078 5.343 -4.340) 7.540 4.347 ( -1.926 -0.342 2.525) 3.194 4.578 ( -3.499 5.007 2.364) 6.550 4.681 ( 18.325 -0.323 12.903) 22.414 4.787 ( 19.321 -11.648 7.841) 23.885 5.589 ( 6.625 4.600 -6.650) 10.453 5.919 ( -6.336 14.879 -1.058) 16.206 6.184 ( 6.453 5.310 4.848) 9.661 6.733 ( 13.373 -3.726 -5.151) 14.807 7.006 ( 3.728 10.588 6.900) 13.176 7.116 ( -5.004 12.216 -3.114) 13.564 7.766 ( 16.123 5.422 -6.582) 18.239 8.391 ( 1.277 -6.646 7.186) 9.871 8.944 ( -0.055 5.339 -5.949) 7.993 9.195 ( 1.237 2.523 -0.944) 2.964 10.235 ( -0.171 2.044 4.175) 4.652 10.972 ( -9.078 -4.193 -1.774) 10.156 11.876 ( -8.295 -16.545 -7.319) 19.903 20.294 ( -2.236 -0.680 -0.676) 2.433 20.405 ( -0.339 -0.678 -0.454) 0.884 20.543 ( -1.757 0.707 0.947) 2.117 20.641 ( 2.033 -1.721 -0.047) 2.664 24.954 ( -2.106 -1.973 0.717) 2.974 25.482 ( -0.740 -0.730 0.023) 1.040 32.476 ( -0.958 -0.796 -0.013) 1.246 32.564 ( -1.129 -1.366 -0.097) 1.775 42.345 ( -6.643 4.882 -7.966) 11.464 43.149 ( 20.083 -5.537 14.785) 25.546 43.824 ( -4.845 25.043 18.490) 31.505 44.935 ( 28.258 12.265 -26.857) 40.869 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -17.513 12.319 13.835) 25.493 2.793 ( -5.278 19.418 -2.498) 20.277 3.230 ( -5.637 18.154 14.004) 23.611 3.501 ( -11.595 1.914 2.151) 11.947 3.835 ( -9.012 15.580 -3.502) 18.337 4.380 ( -3.107 13.432 24.588) 28.189 4.947 ( 13.185 -12.591 1.541) 18.296 5.012 ( 4.570 -12.283 -11.266) 17.283 5.402 ( 6.920 -1.566 0.906) 7.153 5.561 ( 0.258 -0.993 -0.809) 1.306 5.892 ( -5.606 6.889 4.215) 9.831 6.539 ( -10.366 16.194 -18.133) 26.430 7.024 ( -5.290 7.744 -6.549) 11.438 7.110 ( 7.678 -2.723 1.259) 8.243 7.313 ( -6.076 -4.397 -3.177) 8.145 8.496 ( -3.136 -1.005 0.590) 3.345 8.563 ( 1.523 7.564 7.588) 10.822 9.135 ( 0.461 -2.144 0.513) 2.252 10.222 ( 2.383 2.753 -0.821) 3.733 10.868 ( -10.917 15.058 -4.706) 19.185 12.698 ( 9.534 -23.411 1.139) 25.303 20.419 ( 0.434 -3.241 0.536) 3.314 20.452 ( 2.362 -1.914 -1.420) 3.355 20.558 ( 1.407 0.817 0.917) 1.867 20.613 ( -1.662 0.516 -0.360) 1.777 25.078 ( 2.109 -3.547 0.566) 4.166 25.560 ( 1.574 -2.715 0.834) 3.247 32.572 ( 1.959 -3.386 -0.048) 3.912 32.649 ( 1.171 -2.049 -0.032) 2.360 42.401 ( -12.464 -6.991 6.177) 15.569 42.794 ( 16.304 14.903 -10.236) 24.345 43.160 ( 0.314 28.647 15.409) 32.530 43.675 ( -36.951 21.328 -20.611) 47.382 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 2.605 5.627 8.922) 10.865 3.065 ( 0.148 23.369 2.065) 23.460 3.392 ( -7.909 11.221 7.802) 15.790 3.534 ( 15.659 18.861 5.815) 25.195 3.833 ( -7.807 16.045 -1.325) 17.893 4.484 ( -3.086 -1.775 14.339) 14.774 4.877 ( -2.037 -9.310 -9.891) 13.735 5.048 ( -0.908 6.737 -0.015) 6.798 5.425 ( -4.295 -5.616 -4.129) 8.188 5.562 ( 13.484 -2.545 -6.644) 15.245 6.048 ( 5.962 9.785 10.170) 15.321 6.430 ( -11.799 18.212 -12.642) 25.114 7.006 ( 0.374 3.484 -3.075) 4.662 7.063 ( -2.014 -11.506 -1.984) 11.848 7.296 ( 1.820 6.511 2.534) 7.219 8.471 ( -1.652 0.859 3.153) 3.662 8.706 ( 1.880 7.881 -0.026) 8.102 9.132 ( 1.678 0.572 0.194) 1.784 10.250 ( -0.217 1.519 -3.470) 3.794 10.914 ( -0.116 14.438 -1.860) 14.557 12.533 ( -0.230 -28.283 4.481) 28.637 20.388 ( 0.010 -4.076 0.896) 4.174 20.444 ( -0.115 -1.900 -1.248) 2.276 20.571 ( -0.377 -0.736 -0.908) 1.228 20.618 ( 0.558 2.158 0.683) 2.331 25.061 ( 0.014 -3.866 0.453) 3.892 25.547 ( -0.003 -3.051 0.492) 3.091 32.553 ( 0.057 -3.643 -0.125) 3.645 32.635 ( -0.063 -2.525 0.020) 2.526 42.266 ( -0.080 -5.037 7.432) 8.978 43.203 ( -16.616 12.856 -8.343) 22.605 43.300 ( 16.745 24.324 -23.565) 37.780 43.572 ( -0.149 35.579 17.360) 39.589 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 29.284 0.207 -1.506) 29.324 3.301 ( 6.984 18.605 4.261) 20.324 3.392 ( -14.268 20.168 0.512) 24.710 3.855 ( -7.273 9.952 8.581) 15.019 4.075 ( 19.326 9.018 -0.636) 21.336 4.410 ( 0.349 -13.998 8.799) 16.537 4.745 ( -4.282 2.734 -3.597) 6.225 4.958 ( -15.624 8.410 -6.939) 19.053 5.378 ( 2.717 6.633 0.450) 7.182 5.756 ( 17.066 -3.352 -13.831) 22.222 6.226 ( -0.524 10.061 -6.380) 11.925 6.419 ( -5.308 10.766 13.713) 18.224 6.914 ( -0.017 -4.639 1.513) 4.879 7.165 ( 12.532 0.926 -0.773) 12.590 7.405 ( -1.550 14.268 0.560) 14.363 8.440 ( -4.419 -1.204 4.908) 6.713 8.798 ( 4.292 5.303 -5.225) 8.593 9.198 ( 1.625 4.656 -1.747) 5.232 10.246 ( -0.033 2.050 -1.229) 2.390 11.033 ( 2.894 3.157 -1.684) 4.602 12.213 ( -8.626 -25.435 4.510) 27.234 20.352 ( -0.690 -3.183 1.274) 3.497 20.415 ( -0.359 -1.178 -1.439) 1.894 20.552 ( 0.383 -1.814 -0.875) 2.050 20.640 ( -0.898 1.965 0.461) 2.209 25.016 ( -1.209 -3.357 0.293) 3.580 25.514 ( -0.790 -2.250 0.137) 2.389 32.512 ( -0.887 -2.562 -0.272) 2.724 32.603 ( -0.840 -2.339 0.148) 2.489 42.358 ( 9.622 -4.338 9.184) 13.991 42.937 ( -16.448 14.912 -10.330) 24.487 43.831 ( 23.387 16.735 -15.246) 32.549 44.028 ( 4.849 34.730 12.653) 37.280 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 26.002 -3.883 -3.319) 26.499 3.288 ( -28.484 36.243 -10.682) 47.318 3.614 ( 6.090 3.887 0.956) 7.287 3.982 ( 17.012 8.680 9.106) 21.159 4.121 ( 2.944 -16.963 -7.946) 18.961 4.536 ( 5.002 3.871 5.399) 8.316 4.669 ( -2.365 -6.927 8.988) 11.591 4.767 ( -11.590 6.499 1.516) 13.374 5.536 ( 3.896 10.376 -5.561) 12.400 6.013 ( 19.554 6.969 -6.371) 21.714 6.163 ( -10.177 6.001 -5.276) 12.940 6.556 ( 5.434 2.128 7.836) 9.770 6.991 ( 8.040 0.726 2.087) 8.338 7.362 ( -1.736 16.452 5.936) 17.576 7.580 ( 9.026 10.609 -2.577) 14.166 8.373 ( -2.839 -4.454 4.850) 7.171 8.904 ( 5.216 4.859 -6.124) 9.398 9.222 ( -1.099 2.274 -2.975) 3.903 10.281 ( 0.574 3.076 1.690) 3.556 11.014 ( -2.438 -6.937 -1.446) 7.494 11.834 ( -11.099 -19.148 1.095) 22.160 20.318 ( -1.333 -1.153 0.706) 1.898 20.397 ( -0.134 -0.734 -0.900) 1.170 20.542 ( 1.378 -2.460 -0.493) 2.862 20.632 ( -1.783 1.045 0.382) 2.102 24.964 ( -1.478 -2.576 -0.044) 2.970 25.485 ( -0.619 -1.082 0.015) 1.247 32.479 ( -0.630 -1.158 -0.186) 1.332 32.567 ( -1.039 -1.800 0.238) 2.092 42.478 ( -1.416 2.688 1.472) 3.376 42.920 ( 7.085 6.101 1.789) 9.520 44.193 ( 6.012 15.548 0.020) 16.670 44.523 ( 15.849 23.479 -2.975) 28.483 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 9.792 21.014 1.654) 23.243 3.246 ( -35.505 3.976 8.417) 36.705 3.405 ( -1.208 4.445 1.192) 4.758 3.818 ( -10.262 12.261 12.555) 20.329 4.103 ( -0.032 -0.209 -2.327) 2.336 4.556 ( 12.766 1.454 -8.155) 15.218 4.667 ( -2.384 9.627 1.654) 10.054 4.902 ( -10.585 -9.022 3.741) 14.403 5.387 ( -1.831 5.569 0.767) 5.912 5.567 ( 3.582 7.615 7.497) 11.271 6.098 ( -8.257 3.307 8.167) 12.075 6.674 ( -5.658 1.952 -16.798) 17.832 6.927 ( 6.934 -1.293 -0.549) 7.074 7.192 ( 0.792 15.968 -3.780) 16.428 7.450 ( -16.253 1.339 -5.149) 17.102 8.491 ( 0.355 -2.357 -1.255) 2.694 8.698 ( -4.168 4.978 7.388) 9.836 9.170 ( -2.218 2.402 1.438) 3.571 10.227 ( 0.559 3.131 1.171) 3.389 11.044 ( -1.115 2.537 -2.809) 3.946 12.277 ( 12.225 -21.260 -3.833) 24.822 20.376 ( 2.285 -2.315 -1.801) 3.718 20.397 ( 0.706 -0.893 0.846) 1.419 20.537 ( 2.048 -0.323 1.125) 2.358 20.646 ( -1.962 0.126 -0.258) 1.983 25.011 ( 2.480 -2.775 0.930) 3.837 25.513 ( 1.518 -1.744 0.273) 2.329 32.511 ( 1.829 -2.122 -0.071) 2.802 32.605 ( 1.532 -1.778 -0.191) 2.355 42.498 ( 3.012 2.834 -7.765) 8.798 42.794 ( -12.011 0.370 6.819) 13.817 43.520 ( 2.021 29.679 19.789) 35.729 44.363 ( -35.284 17.009 -25.480) 46.727 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -32.524 5.905 10.719) 34.751 3.061 ( 13.823 8.862 2.580) 16.621 3.517 ( 3.077 15.894 -0.991) 16.219 3.771 ( -10.580 9.245 6.902) 15.654 4.134 ( -4.422 13.719 5.899) 15.575 4.585 ( -8.628 -2.158 -0.839) 8.933 4.709 ( 6.248 -2.868 -13.478) 15.130 4.932 ( 18.435 0.782 -8.696) 20.398 5.354 ( -3.832 6.210 2.269) 7.642 5.722 ( -11.965 7.850 10.584) 17.799 6.088 ( 3.061 6.142 5.075) 8.535 6.580 ( 0.176 8.813 -13.752) 16.335 6.964 ( -1.350 0.042 -4.199) 4.411 7.160 ( -12.655 -5.938 0.940) 14.011 7.375 ( 1.736 16.901 2.374) 17.155 8.470 ( 2.181 -0.342 -3.563) 4.191 8.789 ( -0.092 6.869 6.557) 9.496 9.146 ( -2.468 1.961 0.389) 3.177 10.249 ( -0.488 1.676 -2.720) 3.232 11.037 ( -2.354 3.774 -0.767) 4.514 12.218 ( 8.353 -25.294 3.494) 26.866 20.348 ( 0.096 -3.595 -0.019) 3.596 20.418 ( 1.020 -1.026 -0.095) 1.450 20.570 ( 0.051 -0.341 -0.415) 0.540 20.622 ( 0.476 0.726 0.264) 0.907 25.016 ( 1.223 -3.355 0.348) 3.588 25.514 ( 0.787 -2.244 0.126) 2.381 32.511 ( 0.954 -2.544 -0.039) 2.717 32.604 ( 0.773 -2.315 -0.106) 2.443 42.350 ( -9.897 -4.954 6.702) 12.938 42.986 ( 17.700 16.395 -12.841) 27.331 43.784 ( -25.879 15.241 -14.265) 33.249 44.035 ( -3.432 35.343 16.283) 39.064 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -3.178 -2.137 4.897) 6.217 3.310 ( 4.861 6.419 4.287) 9.122 3.716 ( 4.326 1.572 -1.767) 4.930 3.819 ( 3.024 9.704 4.857) 11.265 4.278 ( -12.265 20.337 2.207) 23.852 4.361 ( -2.957 -5.426 0.035) 6.179 4.738 ( 3.096 5.690 -11.731) 13.401 5.166 ( 15.142 0.968 -12.621) 19.736 5.437 ( -7.836 19.069 0.670) 20.627 5.553 ( -6.486 1.547 1.865) 6.924 6.215 ( 4.385 3.181 -3.971) 6.717 6.692 ( -4.356 8.347 5.964) 11.145 6.879 ( -3.246 -0.640 -3.597) 4.888 7.023 ( 5.119 1.704 2.795) 6.076 7.589 ( 0.535 17.243 6.276) 18.357 8.497 ( 0.713 0.465 -1.666) 1.871 8.820 ( -3.326 3.977 0.141) 5.186 9.178 ( 2.792 3.032 -1.290) 4.319 10.237 ( 0.547 1.214 -3.966) 4.183 11.014 ( -0.844 -3.775 0.617) 3.917 12.099 ( 0.003 -21.036 8.478) 22.680 20.320 ( 0.512 -3.613 0.918) 3.763 20.411 ( -0.391 -0.578 -0.407) 0.808 20.536 ( -1.166 -1.554 -1.104) 2.235 20.660 ( 1.031 1.653 0.197) 1.958 24.993 ( -0.005 -3.318 -0.234) 3.326 25.500 ( -0.004 -1.889 -0.017) 1.889 32.495 ( -0.035 -2.117 -0.148) 2.122 32.588 ( 0.008 -2.225 0.122) 2.228 42.270 ( 1.001 -3.310 8.974) 9.618 43.352 ( -10.836 11.421 -9.010) 18.140 43.457 ( 10.486 18.108 -26.436) 33.715 44.499 ( -0.608 35.138 25.396) 43.359 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 25.159 -2.289 -1.224) 25.293 3.480 ( 9.063 1.873 1.560) 9.385 3.748 ( 4.131 -20.783 -1.514) 21.243 3.931 ( -2.889 20.672 -2.160) 20.984 4.052 ( -10.977 10.487 -5.339) 16.093 4.482 ( 4.967 -0.286 4.545) 6.739 4.718 ( -3.962 0.716 -6.681) 7.800 5.142 ( -20.208 12.409 -2.822) 23.881 5.593 ( 3.874 14.773 -1.324) 15.330 5.700 ( 18.376 8.980 -4.071) 20.854 6.272 ( 0.288 2.766 -10.074) 10.451 6.625 ( -4.867 1.197 12.997) 13.930 6.863 ( 3.310 -0.928 -0.571) 3.485 7.346 ( 15.873 10.783 4.713) 19.759 7.770 ( -4.485 19.721 5.715) 21.017 8.444 ( -5.490 -2.242 2.092) 6.288 8.840 ( 3.225 4.024 -5.760) 7.731 9.223 ( 0.735 1.063 -2.016) 2.395 10.272 ( 3.223 2.380 -2.303) 4.621 10.932 ( -0.578 -11.748 0.767) 11.788 11.882 ( -9.734 -15.523 8.360) 20.140 20.306 ( 0.896 -3.011 1.442) 3.457 20.401 ( -0.555 0.913 -0.638) 1.245 20.499 ( -0.293 -2.339 -1.049) 2.581 20.675 ( -1.091 1.177 0.055) 1.606 24.954 ( -0.675 -2.820 -0.775) 3.001 25.482 ( -0.259 -1.009 -0.001) 1.042 32.474 ( -0.270 -1.180 -0.232) 1.232 32.565 ( -0.547 -1.703 0.413) 1.836 42.394 ( 9.745 -2.869 10.903) 14.902 43.109 ( -15.228 14.190 -11.896) 23.974 43.843 ( 23.605 8.261 -22.775) 33.825 44.911 ( -4.666 30.737 25.725) 40.353 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -0.000 0.000 14.410) 14.410 1.934 ( -0.000 0.000 14.410) 14.410 2.932 ( 0.000 -0.000 -4.623) 4.623 2.932 ( 0.000 -0.000 -4.623) 4.623 3.851 ( -0.000 0.000 4.405) 4.405 4.268 ( -0.000 0.000 39.110) 39.110 5.419 ( 0.000 -0.000 -3.549) 3.549 5.477 ( 0.000 -0.000 -18.037) 18.037 5.551 ( -0.000 0.000 3.787) 3.787 5.551 ( -0.000 0.000 3.787) 3.787 5.759 ( 0.000 -0.000 -8.281) 8.281 5.759 ( 0.000 -0.000 -8.281) 8.281 6.839 ( 0.000 -0.000 -13.626) 13.626 7.305 ( -0.000 0.000 0.501) 0.501 7.305 ( -0.000 0.000 0.501) 0.501 8.447 ( -0.000 0.000 3.411) 3.411 8.447 ( -0.000 0.000 3.411) 3.411 9.424 ( -0.000 0.000 0.507) 0.507 10.205 ( 0.000 -0.000 -1.201) 1.201 10.205 ( 0.000 -0.000 -1.201) 1.201 13.190 ( -0.000 0.000 1.698) 1.698 20.509 ( -0.000 0.000 0.343) 0.343 20.509 ( -0.000 0.000 0.343) 0.343 20.559 ( 0.000 -0.000 -0.479) 0.479 20.559 ( 0.000 -0.000 -0.479) 0.479 25.165 ( 0.000 -0.000 -0.981) 0.981 25.635 ( -0.000 0.000 0.796) 0.796 32.664 ( -0.000 0.000 0.038) 0.038 32.699 ( 0.000 -0.000 -0.010) 0.010 42.504 ( -0.000 0.000 5.179) 5.179 42.504 ( -0.000 0.000 5.179) 5.179 42.825 ( 0.000 -0.000 -5.391) 5.391 42.825 ( 0.000 -0.000 -5.391) 5.391 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 0.951 14.596 5.053) 15.476 2.327 ( 33.332 5.533 6.321) 34.374 2.970 ( 9.929 6.165 7.025) 13.636 3.298 ( 25.485 15.849 -8.009) 31.061 3.759 ( -7.687 -5.939 1.620) 9.848 4.427 ( -1.071 -1.468 31.933) 31.985 5.139 ( -13.299 -9.724 -14.048) 21.651 5.266 ( -13.485 -3.115 -3.591) 14.299 5.401 ( -2.402 -9.619 7.227) 12.269 5.611 ( -7.361 9.278 -7.631) 14.089 5.834 ( 8.155 11.527 6.739) 15.645 6.074 ( 24.306 -0.369 -13.264) 27.692 6.857 ( 6.046 4.073 -7.077) 10.160 7.221 ( -6.849 -2.843 1.362) 7.539 7.323 ( 1.264 -0.525 -2.183) 2.577 8.462 ( 1.669 -2.597 3.467) 4.642 8.540 ( 4.014 6.894 1.374) 8.095 9.234 ( -9.689 -5.621 0.541) 11.215 10.189 ( -0.195 -0.235 0.729) 0.791 10.545 ( 21.584 12.466 -3.513) 25.172 13.021 ( -14.652 -8.536 0.592) 16.967 20.464 ( -2.382 -1.995 0.842) 3.219 20.487 ( -2.449 -0.983 -1.247) 2.919 20.557 ( -0.091 0.598 0.925) 1.105 20.591 ( 1.917 0.674 -0.650) 2.133 25.130 ( -2.551 -1.466 -0.242) 2.953 25.608 ( -2.433 -1.405 0.637) 2.881 32.627 ( -2.986 -1.683 -0.008) 3.428 32.679 ( -1.576 -0.946 0.044) 1.839 42.542 ( -0.831 -6.679 -6.773) 9.548 42.567 ( 5.473 8.797 9.311) 13.930 42.827 ( 7.897 4.001 7.816) 11.809 43.221 ( 29.187 17.923 -13.344) 36.758 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 0.446 5.481 -5.493) 7.773 3.066 ( 27.401 15.921 1.740) 31.738 3.357 ( 21.167 3.962 8.839) 23.278 3.571 ( 1.819 2.359 2.756) 4.058 3.910 ( 21.815 13.729 -8.720) 27.211 4.542 ( 0.135 -1.543 14.683) 14.764 4.738 ( -16.509 -8.227 -2.065) 18.560 5.068 ( -2.166 3.119 -0.757) 3.872 5.323 ( -0.992 -8.580 7.178) 11.230 5.561 ( -4.313 7.041 -5.486) 9.913 6.083 ( 6.074 5.485 7.561) 11.142 6.401 ( 20.368 4.518 -10.780) 23.484 6.966 ( 2.124 -3.418 1.986) 4.488 7.068 ( -8.066 2.307 -2.357) 8.714 7.358 ( 7.379 2.435 -5.581) 9.567 8.477 ( 1.662 -2.696 2.626) 4.114 8.699 ( 4.156 8.522 0.688) 9.506 9.130 ( 0.609 -1.217 0.398) 1.418 10.201 ( 0.652 0.065 2.746) 2.824 10.926 ( 11.855 7.189 -3.162) 14.220 12.592 ( -21.421 -12.504 -3.171) 25.005 20.398 ( -2.855 -2.823 -0.204) 4.020 20.435 ( -2.189 -0.075 -0.270) 2.207 20.555 ( -1.096 0.103 1.079) 1.541 20.627 ( 1.992 0.449 -0.485) 2.099 25.062 ( -3.311 -1.902 0.307) 3.831 25.549 ( -2.708 -1.564 0.263) 3.138 32.553 ( -3.249 -1.819 -0.050) 3.724 32.635 ( -2.148 -1.286 -0.008) 2.504 42.396 ( -3.521 -3.468 -9.335) 10.562 42.946 ( 15.126 12.985 19.164) 27.653 43.085 ( 11.954 3.013 9.458) 15.538 43.881 ( 34.434 20.878 -21.994) 45.884 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 3.345 3.100 11.157) 12.054 2.417 ( -3.533 31.950 -3.570) 32.342 3.100 ( 3.094 16.299 -8.293) 18.547 3.154 ( -2.118 25.111 9.272) 26.852 3.774 ( -0.547 -7.878 -0.359) 7.905 4.580 ( -0.258 -1.555 19.880) 19.942 5.058 ( -0.329 -14.294 -10.705) 17.861 5.223 ( -1.220 -15.539 1.893) 15.701 5.498 ( -9.151 -2.653 2.349) 9.813 5.575 ( 15.227 -2.900 -10.485) 18.714 5.869 ( 6.635 13.816 9.016) 17.782 5.993 ( -11.223 19.321 -10.119) 24.528 6.831 ( 0.372 8.361 -3.761) 9.176 7.243 ( -0.031 -6.987 -1.317) 7.110 7.292 ( -0.159 -1.252 1.820) 2.215 8.474 ( -0.949 0.406 1.940) 2.198 8.549 ( 1.288 7.127 0.185) 7.245 9.235 ( 0.120 -11.222 0.373) 11.228 10.211 ( -0.050 0.976 -2.014) 2.239 10.515 ( -0.027 23.799 0.239) 23.800 13.017 ( -0.033 -18.194 1.117) 18.228 20.466 ( -0.081 -3.346 0.933) 3.475 20.482 ( -0.027 -2.424 -1.042) 2.638 20.569 ( 0.436 0.522 -0.493) 0.840 20.581 ( -0.315 1.906 0.449) 1.984 25.130 ( 0.003 -2.783 -0.139) 2.787 25.611 ( -0.000 -2.795 0.322) 2.813 32.627 ( 0.016 -3.444 0.004) 3.444 32.679 ( -0.015 -1.834 0.023) 1.835 42.422 ( 0.024 -6.817 7.527) 10.155 42.749 ( -1.605 17.087 -13.088) 21.583 42.947 ( 1.515 11.023 -7.474) 13.404 43.030 ( 0.047 26.213 11.420) 28.593 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 10.796 13.685 -8.293) 19.303 2.732 ( 11.016 21.879 4.581) 24.921 3.302 ( 2.206 10.879 4.713) 12.059 3.596 ( 11.803 17.760 -9.327) 23.275 3.743 ( 7.503 12.208 7.431) 16.141 4.621 ( 0.062 1.267 2.642) 2.931 4.843 ( -7.151 -11.895 0.805) 13.902 4.979 ( -3.721 -15.365 -1.893) 15.922 5.364 ( -5.303 -2.444 4.220) 7.204 5.695 ( 3.871 4.099 -15.803) 16.779 5.977 ( 3.340 8.075 -6.250) 10.743 6.255 ( 8.515 14.299 17.175) 23.916 6.966 ( 2.731 7.517 1.347) 8.110 7.140 ( 2.084 -4.603 -2.930) 5.841 7.279 ( -3.089 -0.277 1.350) 3.383 8.475 ( -1.621 -0.141 3.224) 3.611 8.661 ( 5.965 6.020 -4.869) 9.774 9.141 ( -1.782 -1.228 -0.204) 2.173 10.213 ( 0.505 0.965 0.335) 1.139 10.831 ( 9.329 15.859 -0.100) 18.400 12.706 ( -12.781 -22.132 0.199) 25.558 20.419 ( -2.487 -2.930 0.864) 3.939 20.445 ( -0.453 -2.253 -0.742) 2.415 20.570 ( 0.430 -0.364 -0.582) 0.810 20.607 ( 0.212 1.564 0.391) 1.626 25.082 ( -1.833 -3.176 -0.015) 3.667 25.567 ( -1.642 -2.845 0.002) 3.285 32.572 ( -1.965 -3.421 -0.069) 3.945 32.648 ( -1.230 -2.123 0.065) 2.454 42.463 ( -1.759 -0.104 0.656) 1.880 42.686 ( 4.540 3.296 1.036) 5.705 43.394 ( 0.170 32.799 14.115) 35.707 43.415 ( 29.408 20.068 -15.705) 38.912 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.40e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -0.000 0.000 0.000) 0.000 2.053 ( -0.000 0.000 0.000) 0.000 2.888 ( -0.000 0.000 0.000) 0.000 2.888 ( -0.000 0.000 0.000) 0.000 3.876 ( -0.000 0.000 0.000) 0.000 4.682 ( -0.000 0.000 0.000) 0.000 5.221 ( 0.000 -0.000 -0.000) 0.000 5.406 ( -0.000 0.000 0.000) 0.000 5.616 ( -0.000 0.000 0.000) 0.000 5.616 ( -0.000 0.000 0.000) 0.000 5.658 ( 0.000 -0.000 -0.000) 0.000 5.658 ( 0.000 -0.000 -0.000) 0.000 6.733 ( -0.000 0.000 0.000) 0.000 7.309 ( -0.000 0.000 0.000) 0.000 7.309 ( -0.000 0.000 0.000) 0.000 8.474 ( -0.000 0.000 0.000) 0.000 8.474 ( -0.000 0.000 0.000) 0.000 9.428 ( -0.000 0.000 0.000) 0.000 10.196 ( -0.000 0.000 0.000) 0.000 10.196 ( -0.000 0.000 0.000) 0.000 13.203 ( -0.000 0.000 0.000) 0.000 20.512 ( -0.000 0.000 0.000) 0.000 20.512 ( -0.000 0.000 0.000) 0.000 20.555 ( -0.000 0.000 0.000) 0.000 20.555 ( -0.000 0.000 0.000) 0.000 25.158 ( -0.000 0.000 0.000) 0.000 25.641 ( -0.000 0.000 0.000) 0.000 32.665 ( -0.000 0.000 0.000) 0.000 32.699 ( -0.000 0.000 0.000) 0.000 42.553 ( -0.000 0.000 0.000) 0.000 42.553 ( -0.000 0.000 0.000) 0.000 42.775 ( -0.000 0.000 0.000) 0.000 42.775 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/57024 10.0 415.350 415.350 462.825 0.000 -0.000 -0.000 3/57024 20.0 183.227 183.227 156.755 0.000 -0.000 -0.000 3/57024 30.0 78.481 78.481 62.494 0.000 -0.000 -0.000 3/57024 40.0 43.509 43.509 34.361 0.000 -0.000 -0.000 3/57024 50.0 28.478 28.478 22.449 0.000 -0.000 -0.000 3/57024 60.0 20.711 20.711 16.286 0.000 -0.000 -0.000 3/57024 70.0 16.146 16.146 12.655 0.000 -0.000 -0.000 3/57024 80.0 13.206 13.206 10.311 0.000 -0.000 -0.000 3/57024 90.0 11.177 11.177 8.692 0.000 -0.000 -0.000 3/57024 100.0 9.703 9.703 7.515 0.000 -0.000 -0.000 3/57024 110.0 8.586 8.586 6.624 0.000 -0.000 -0.000 3/57024 120.0 7.712 7.712 5.928 0.000 -0.000 -0.000 3/57024 130.0 7.008 7.008 5.368 0.000 -0.000 -0.000 3/57024 140.0 6.430 6.430 4.909 0.000 -0.000 -0.000 3/57024 150.0 5.945 5.945 4.525 0.000 -0.000 -0.000 3/57024 160.0 5.532 5.532 4.199 0.000 -0.000 -0.000 3/57024 170.0 5.176 5.176 3.920 0.000 -0.000 -0.000 3/57024 180.0 4.866 4.866 3.677 0.000 -0.000 -0.000 3/57024 190.0 4.594 4.594 3.464 0.000 -0.000 -0.000 3/57024 200.0 4.352 4.352 3.276 0.000 -0.000 -0.000 3/57024 210.0 4.136 4.136 3.110 0.000 -0.000 -0.000 3/57024 220.0 3.942 3.942 2.961 0.000 -0.000 -0.000 3/57024 230.0 3.767 3.767 2.827 0.000 -0.000 -0.000 3/57024 240.0 3.609 3.609 2.707 0.000 -0.000 -0.000 3/57024 250.0 3.465 3.465 2.599 0.000 -0.000 -0.000 3/57024 260.0 3.333 3.333 2.501 0.000 -0.000 -0.000 3/57024 270.0 3.213 3.213 2.413 0.000 -0.000 -0.000 3/57024 280.0 3.103 3.103 2.332 0.000 -0.000 -0.000 3/57024 290.0 3.001 3.001 2.259 0.000 -0.000 -0.000 3/57024 300.0 2.907 2.907 2.192 0.000 -0.000 -0.000 3/57024 310.0 2.821 2.821 2.131 0.000 -0.000 -0.000 3/57024 320.0 2.740 2.740 2.075 0.000 -0.000 -0.000 3/57024 330.0 2.666 2.666 2.024 0.000 -0.000 -0.000 3/57024 340.0 2.597 2.597 1.978 0.000 -0.000 -0.000 3/57024 350.0 2.532 2.532 1.935 0.000 -0.000 -0.000 3/57024 360.0 2.472 2.472 1.895 0.000 -0.000 -0.000 3/57024 370.0 2.416 2.416 1.858 0.000 -0.000 -0.000 3/57024 380.0 2.363 2.363 1.825 0.000 -0.000 -0.000 3/57024 390.0 2.313 2.313 1.793 0.000 -0.000 -0.000 3/57024 400.0 2.266 2.266 1.764 0.000 -0.000 -0.000 3/57024 410.0 2.222 2.222 1.737 0.000 -0.000 -0.000 3/57024 420.0 2.181 2.181 1.712 0.000 -0.000 -0.000 3/57024 430.0 2.141 2.141 1.688 0.000 -0.000 -0.000 3/57024 440.0 2.104 2.104 1.666 0.000 -0.000 -0.000 3/57024 450.0 2.068 2.068 1.645 0.000 -0.000 -0.000 3/57024 460.0 2.034 2.034 1.625 0.000 -0.000 -0.000 3/57024 470.0 2.002 2.002 1.607 0.000 -0.000 -0.000 3/57024 480.0 1.971 1.971 1.589 0.000 -0.000 -0.000 3/57024 490.0 1.942 1.942 1.572 0.000 -0.000 -0.000 3/57024 500.0 1.914 1.914 1.556 0.000 -0.000 -0.000 3/57024 510.0 1.886 1.886 1.541 0.000 -0.000 -0.000 3/57024 520.0 1.860 1.860 1.526 0.000 -0.000 -0.000 3/57024 530.0 1.835 1.835 1.512 0.000 -0.000 -0.000 3/57024 540.0 1.811 1.811 1.498 0.000 -0.000 -0.000 3/57024 550.0 1.788 1.788 1.485 0.000 -0.000 -0.000 3/57024 560.0 1.765 1.765 1.472 0.000 -0.000 -0.000 3/57024 570.0 1.744 1.744 1.459 0.000 -0.000 -0.000 3/57024 580.0 1.722 1.722 1.447 0.000 -0.000 -0.000 3/57024 590.0 1.702 1.702 1.435 0.000 -0.000 -0.000 3/57024 600.0 1.682 1.682 1.424 0.000 -0.000 -0.000 3/57024 610.0 1.663 1.663 1.412 0.000 -0.000 -0.000 3/57024 620.0 1.644 1.644 1.401 0.000 -0.000 -0.000 3/57024 630.0 1.626 1.626 1.390 0.000 -0.000 -0.000 3/57024 640.0 1.608 1.608 1.380 0.000 -0.000 -0.000 3/57024 650.0 1.591 1.591 1.369 0.000 -0.000 -0.000 3/57024 660.0 1.574 1.574 1.359 0.000 -0.000 -0.000 3/57024 670.0 1.557 1.557 1.349 0.000 -0.000 -0.000 3/57024 680.0 1.541 1.541 1.339 0.000 -0.000 -0.000 3/57024 690.0 1.525 1.525 1.329 0.000 -0.000 -0.000 3/57024 700.0 1.510 1.510 1.320 0.000 -0.000 -0.000 3/57024 710.0 1.495 1.495 1.310 0.000 -0.000 -0.000 3/57024 720.0 1.480 1.480 1.301 0.000 -0.000 -0.000 3/57024 730.0 1.466 1.466 1.291 0.000 -0.000 -0.000 3/57024 740.0 1.452 1.452 1.282 0.000 -0.000 -0.000 3/57024 750.0 1.438 1.438 1.273 0.000 -0.000 -0.000 3/57024 760.0 1.424 1.424 1.264 0.000 -0.000 -0.000 3/57024 770.0 1.411 1.411 1.255 0.000 -0.000 -0.000 3/57024 780.0 1.398 1.398 1.246 0.000 -0.000 -0.000 3/57024 790.0 1.385 1.385 1.238 0.000 -0.000 -0.000 3/57024 800.0 1.372 1.372 1.229 0.000 -0.000 -0.000 3/57024 810.0 1.360 1.360 1.221 0.000 -0.000 -0.000 3/57024 820.0 1.348 1.348 1.212 0.000 -0.000 -0.000 3/57024 830.0 1.336 1.336 1.204 0.000 -0.000 -0.000 3/57024 840.0 1.324 1.324 1.196 0.000 -0.000 -0.000 3/57024 850.0 1.313 1.313 1.188 0.000 -0.000 -0.000 3/57024 860.0 1.302 1.302 1.180 0.000 -0.000 -0.000 3/57024 870.0 1.290 1.290 1.172 0.000 -0.000 -0.000 3/57024 880.0 1.280 1.280 1.164 0.000 -0.000 -0.000 3/57024 890.0 1.269 1.269 1.156 0.000 -0.000 -0.000 3/57024 900.0 1.258 1.258 1.148 0.000 -0.000 -0.000 3/57024 910.0 1.248 1.248 1.140 0.000 -0.000 -0.000 3/57024 920.0 1.237 1.237 1.133 0.000 -0.000 -0.000 3/57024 930.0 1.227 1.227 1.125 0.000 -0.000 -0.000 3/57024 940.0 1.217 1.217 1.118 0.000 -0.000 -0.000 3/57024 950.0 1.208 1.208 1.110 0.000 -0.000 -0.000 3/57024 960.0 1.198 1.198 1.103 0.000 -0.000 -0.000 3/57024 970.0 1.189 1.189 1.096 0.000 -0.000 -0.000 3/57024 980.0 1.179 1.179 1.089 0.000 -0.000 -0.000 3/57024 990.0 1.170 1.170 1.082 0.000 -0.000 -0.000 3/57024 1000.0 1.161 1.161 1.075 0.000 -0.000 -0.000 3/57024 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:10:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|