----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:39:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.063963426455748 0.000000000000000 0.000000000000000 b 0.000000000000000 9.738573760000000 0.000000000000000 c -3.958451237545811 0.000000000000000 12.122900214231839 Atomic positions (fractional): *1 As 0.35046708471104 0.19353209097120 0.25985354241216 74.922 2 As 0.64953291528896 0.69353209097120 0.24014645758785 74.922 3 As 0.64953291528896 0.80646790902880 0.74014645758785 74.922 4 As 0.35046708471104 0.30646790902880 0.75985354241215 74.922 *5 As 0.08734012003399 0.32996746503948 0.48637859368111 74.922 6 As 0.91265987996601 0.82996746503948 0.01362140631889 74.922 7 As 0.91265987996601 0.67003253496052 0.51362140631889 74.922 8 As 0.08734012003399 0.17003253496052 0.98637859368111 74.922 *9 Se 0.88022043627952 0.11437854906880 0.39983487661087 78.960 10 Se 0.11977956372048 0.61437854906880 0.10016512338913 78.960 11 Se 0.11977956372048 0.88562145093120 0.60016512338913 78.960 12 Se 0.88022043627952 0.38562145093120 0.89983487661087 78.960 *13 Se 0.32677874286572 0.41617660645701 0.34230796283657 78.960 14 Se 0.67322125713428 0.91617660645701 0.15769203716343 78.960 15 Se 0.67322125713428 0.58382339354299 0.65769203716343 78.960 16 Se 0.32677874286572 0.08382339354299 0.84230796283657 78.960 *17 Se 0.57143611351741 0.29840873668210 0.11754699348437 78.960 18 Se 0.42856388648259 0.79840873668210 0.38245300651563 78.960 19 Se 0.42856388648259 0.70159126331790 0.88245300651563 78.960 20 Se 0.57143611351741 0.20159126331790 0.61754699348437 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.063963426455748 0.000000000000000 0.000000000000000 b 0.000000000000000 9.738573760000000 0.000000000000000 c -3.958451237545811 0.000000000000000 12.122900214231839 Atomic positions (fractional): *1 As 0.35046708471104 0.19353209097120 0.25985354241216 74.922 > 1 2 As 0.64953291528896 0.69353209097120 0.24014645758785 74.922 > 2 3 As 0.64953291528896 0.80646790902880 0.74014645758785 74.922 > 3 4 As 0.35046708471104 0.30646790902880 0.75985354241215 74.922 > 4 *5 As 0.08734012003399 0.32996746503948 0.48637859368111 74.922 > 5 6 As 0.91265987996601 0.82996746503948 0.01362140631889 74.922 > 6 7 As 0.91265987996601 0.67003253496052 0.51362140631889 74.922 > 7 8 As 0.08734012003399 0.17003253496052 0.98637859368111 74.922 > 8 *9 Se 0.88022043627952 0.11437854906880 0.39983487661087 78.960 > 9 10 Se 0.11977956372048 0.61437854906880 0.10016512338913 78.960 > 10 11 Se 0.11977956372048 0.88562145093120 0.60016512338913 78.960 > 11 12 Se 0.88022043627952 0.38562145093120 0.89983487661087 78.960 > 12 *13 Se 0.32677874286572 0.41617660645701 0.34230796283657 78.960 > 13 14 Se 0.67322125713428 0.91617660645701 0.15769203716343 78.960 > 14 15 Se 0.67322125713428 0.58382339354299 0.65769203716343 78.960 > 15 16 Se 0.32677874286572 0.08382339354299 0.84230796283657 78.960 > 16 *17 Se 0.57143611351741 0.29840873668210 0.11754699348437 78.960 > 17 18 Se 0.42856388648259 0.79840873668210 0.38245300651563 78.960 > 18 19 Se 0.42856388648259 0.70159126331790 0.88245300651563 78.960 > 19 20 Se 0.57143611351741 0.20159126331790 0.61754699348437 78.960 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.191890279367245 0.000000000000000 0.000000000000000 b 0.000000000000000 19.477147519999999 0.000000000000000 c -3.958451237545811 0.000000000000000 12.122900214231839 Atomic positions (fractional): *1 As 0.11682236157035 0.09676604548560 0.25985354241216 74.922 > 1 2 As 0.45015569490368 0.09676604548560 0.25985354241216 74.922 > 1 3 As 0.78348902823701 0.09676604548560 0.25985354241216 74.922 > 1 4 As 0.11682236157035 0.59676604548560 0.25985354241216 74.922 > 1 5 As 0.45015569490368 0.59676604548560 0.25985354241216 74.922 > 1 6 As 0.78348902823701 0.59676604548560 0.25985354241216 74.922 > 1 7 As 0.21651097176299 0.34676604548560 0.24014645758785 74.922 > 2 8 As 0.54984430509632 0.34676604548560 0.24014645758785 74.922 > 2 9 As 0.88317763842965 0.34676604548560 0.24014645758785 74.922 > 2 10 As 0.21651097176299 0.84676604548560 0.24014645758785 74.922 > 2 11 As 0.54984430509632 0.84676604548560 0.24014645758785 74.922 > 2 12 As 0.88317763842965 0.84676604548560 0.24014645758785 74.922 > 2 13 As 0.21651097176299 0.40323395451440 0.74014645758785 74.922 > 3 14 As 0.54984430509632 0.40323395451440 0.74014645758785 74.922 > 3 15 As 0.88317763842965 0.40323395451440 0.74014645758785 74.922 > 3 16 As 0.21651097176299 0.90323395451440 0.74014645758785 74.922 > 3 17 As 0.54984430509632 0.90323395451440 0.74014645758785 74.922 > 3 18 As 0.88317763842965 0.90323395451440 0.74014645758785 74.922 > 3 19 As 0.11682236157035 0.15323395451440 0.75985354241215 74.922 > 4 20 As 0.45015569490368 0.15323395451440 0.75985354241215 74.922 > 4 21 As 0.78348902823701 0.15323395451440 0.75985354241215 74.922 > 4 22 As 0.11682236157035 0.65323395451440 0.75985354241215 74.922 > 4 23 As 0.45015569490368 0.65323395451440 0.75985354241215 74.922 > 4 24 As 0.78348902823701 0.65323395451440 0.75985354241215 74.922 > 4 *25 As 0.02911337334466 0.16498373251974 0.48637859368111 74.922 > 5 26 As 0.36244670667800 0.16498373251974 0.48637859368111 74.922 > 5 27 As 0.69578004001133 0.16498373251974 0.48637859368111 74.922 > 5 28 As 0.02911337334466 0.66498373251974 0.48637859368111 74.922 > 5 29 As 0.36244670667800 0.66498373251974 0.48637859368111 74.922 > 5 30 As 0.69578004001133 0.66498373251974 0.48637859368111 74.922 > 5 31 As 0.30421995998867 0.41498373251974 0.01362140631889 74.922 > 6 32 As 0.63755329332200 0.41498373251974 0.01362140631889 74.922 > 6 33 As 0.97088662665534 0.41498373251974 0.01362140631889 74.922 > 6 34 As 0.30421995998867 0.91498373251974 0.01362140631889 74.922 > 6 35 As 0.63755329332200 0.91498373251974 0.01362140631889 74.922 > 6 36 As 0.97088662665534 0.91498373251974 0.01362140631889 74.922 > 6 37 As 0.30421995998867 0.33501626748026 0.51362140631889 74.922 > 7 38 As 0.63755329332200 0.33501626748026 0.51362140631889 74.922 > 7 39 As 0.97088662665534 0.33501626748026 0.51362140631889 74.922 > 7 40 As 0.30421995998867 0.83501626748026 0.51362140631889 74.922 > 7 41 As 0.63755329332200 0.83501626748026 0.51362140631889 74.922 > 7 42 As 0.97088662665534 0.83501626748026 0.51362140631889 74.922 > 7 43 As 0.02911337334466 0.08501626748026 0.98637859368111 74.922 > 8 44 As 0.36244670667800 0.08501626748026 0.98637859368111 74.922 > 8 45 As 0.69578004001133 0.08501626748026 0.98637859368111 74.922 > 8 46 As 0.02911337334466 0.58501626748026 0.98637859368111 74.922 > 8 47 As 0.36244670667800 0.58501626748026 0.98637859368111 74.922 > 8 48 As 0.69578004001133 0.58501626748026 0.98637859368111 74.922 > 8 *49 Se 0.29340681209317 0.05718927453440 0.39983487661087 78.960 > 9 50 Se 0.62674014542651 0.05718927453440 0.39983487661087 78.960 > 9 51 Se 0.96007347875984 0.05718927453440 0.39983487661087 78.960 > 9 52 Se 0.29340681209317 0.55718927453440 0.39983487661087 78.960 > 9 53 Se 0.62674014542651 0.55718927453440 0.39983487661087 78.960 > 9 54 Se 0.96007347875984 0.55718927453440 0.39983487661087 78.960 > 9 55 Se 0.03992652124016 0.30718927453440 0.10016512338913 78.960 > 10 56 Se 0.37325985457349 0.30718927453440 0.10016512338913 78.960 > 10 57 Se 0.70659318790683 0.30718927453440 0.10016512338913 78.960 > 10 58 Se 0.03992652124016 0.80718927453440 0.10016512338913 78.960 > 10 59 Se 0.37325985457349 0.80718927453440 0.10016512338913 78.960 > 10 60 Se 0.70659318790683 0.80718927453440 0.10016512338913 78.960 > 10 61 Se 0.03992652124016 0.44281072546560 0.60016512338913 78.960 > 11 62 Se 0.37325985457349 0.44281072546560 0.60016512338913 78.960 > 11 63 Se 0.70659318790683 0.44281072546560 0.60016512338913 78.960 > 11 64 Se 0.03992652124016 0.94281072546560 0.60016512338913 78.960 > 11 65 Se 0.37325985457349 0.94281072546560 0.60016512338913 78.960 > 11 66 Se 0.70659318790683 0.94281072546560 0.60016512338913 78.960 > 11 67 Se 0.29340681209317 0.19281072546560 0.89983487661087 78.960 > 12 68 Se 0.62674014542651 0.19281072546560 0.89983487661087 78.960 > 12 69 Se 0.96007347875984 0.19281072546560 0.89983487661087 78.960 > 12 70 Se 0.29340681209317 0.69281072546560 0.89983487661087 78.960 > 12 71 Se 0.62674014542651 0.69281072546560 0.89983487661087 78.960 > 12 72 Se 0.96007347875984 0.69281072546560 0.89983487661087 78.960 > 12 *73 Se 0.10892624762191 0.20808830322851 0.34230796283657 78.960 > 13 74 Se 0.44225958095524 0.20808830322851 0.34230796283657 78.960 > 13 75 Se 0.77559291428857 0.20808830322851 0.34230796283657 78.960 > 13 76 Se 0.10892624762191 0.70808830322851 0.34230796283657 78.960 > 13 77 Se 0.44225958095524 0.70808830322851 0.34230796283657 78.960 > 13 78 Se 0.77559291428857 0.70808830322851 0.34230796283657 78.960 > 13 79 Se 0.22440708571143 0.45808830322851 0.15769203716343 78.960 > 14 80 Se 0.55774041904476 0.45808830322851 0.15769203716343 78.960 > 14 81 Se 0.89107375237809 0.45808830322851 0.15769203716343 78.960 > 14 82 Se 0.22440708571143 0.95808830322851 0.15769203716343 78.960 > 14 83 Se 0.55774041904476 0.95808830322851 0.15769203716343 78.960 > 14 84 Se 0.89107375237809 0.95808830322851 0.15769203716343 78.960 > 14 85 Se 0.22440708571143 0.29191169677149 0.65769203716343 78.960 > 15 86 Se 0.55774041904476 0.29191169677149 0.65769203716343 78.960 > 15 87 Se 0.89107375237809 0.29191169677149 0.65769203716343 78.960 > 15 88 Se 0.22440708571143 0.79191169677149 0.65769203716343 78.960 > 15 89 Se 0.55774041904476 0.79191169677149 0.65769203716343 78.960 > 15 90 Se 0.89107375237809 0.79191169677149 0.65769203716343 78.960 > 15 91 Se 0.10892624762191 0.04191169677149 0.84230796283657 78.960 > 16 92 Se 0.44225958095524 0.04191169677149 0.84230796283657 78.960 > 16 93 Se 0.77559291428857 0.04191169677149 0.84230796283657 78.960 > 16 94 Se 0.10892624762191 0.54191169677149 0.84230796283657 78.960 > 16 95 Se 0.44225958095524 0.54191169677149 0.84230796283657 78.960 > 16 96 Se 0.77559291428857 0.54191169677149 0.84230796283657 78.960 > 16 *97 Se 0.19047870450580 0.14920436834105 0.11754699348437 78.960 > 17 98 Se 0.52381203783914 0.14920436834105 0.11754699348437 78.960 > 17 99 Se 0.85714537117247 0.14920436834105 0.11754699348437 78.960 > 17 100 Se 0.19047870450580 0.64920436834105 0.11754699348437 78.960 > 17 101 Se 0.52381203783914 0.64920436834105 0.11754699348437 78.960 > 17 102 Se 0.85714537117247 0.64920436834105 0.11754699348437 78.960 > 17 103 Se 0.14285462882753 0.39920436834105 0.38245300651563 78.960 > 18 104 Se 0.47618796216086 0.39920436834105 0.38245300651563 78.960 > 18 105 Se 0.80952129549420 0.39920436834105 0.38245300651563 78.960 > 18 106 Se 0.14285462882753 0.89920436834105 0.38245300651563 78.960 > 18 107 Se 0.47618796216086 0.89920436834105 0.38245300651563 78.960 > 18 108 Se 0.80952129549420 0.89920436834105 0.38245300651563 78.960 > 18 109 Se 0.14285462882753 0.35079563165895 0.88245300651563 78.960 > 19 110 Se 0.47618796216086 0.35079563165895 0.88245300651563 78.960 > 19 111 Se 0.80952129549420 0.35079563165895 0.88245300651563 78.960 > 19 112 Se 0.14285462882753 0.85079563165895 0.88245300651563 78.960 > 19 113 Se 0.47618796216086 0.85079563165895 0.88245300651563 78.960 > 19 114 Se 0.80952129549420 0.85079563165895 0.88245300651563 78.960 > 19 115 Se 0.19047870450580 0.10079563165895 0.61754699348437 78.960 > 20 116 Se 0.52381203783914 0.10079563165895 0.61754699348437 78.960 > 20 117 Se 0.85714537117247 0.10079563165895 0.61754699348437 78.960 > 20 118 Se 0.19047870450580 0.60079563165895 0.61754699348437 78.960 > 20 119 Se 0.52381203783914 0.60079563165895 0.61754699348437 78.960 > 20 120 Se 0.85714537117247 0.60079563165895 0.61754699348437 78.960 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.3369330 0.0000000 -1.0180868 0.0000000 11.3976489 0.0000000 -1.0180855 0.0000000 17.3778561 -------------------------- Born effective charges -------------------------- 1 As 3.3395758 -0.1177185 -0.1255842 -0.3091233 1.3781063 0.3443295 -0.6332419 -0.7033708 3.4130130 2 As 3.3395758 0.1177185 -0.1255842 0.3091233 1.3781063 -0.3443295 -0.6332419 0.7033708 3.4130130 3 As 3.3395758 -0.1177185 -0.1255842 -0.3091233 1.3781063 0.3443295 -0.6332419 -0.7033708 3.4130130 4 As 3.3395758 0.1177185 -0.1255842 0.3091233 1.3781063 -0.3443295 -0.6332419 0.7033708 3.4130130 5 As 2.9510264 0.0357219 -0.1444564 0.1305264 1.1584771 -0.3994065 0.4330596 -0.9847141 3.1996586 6 As 2.9510264 -0.0357219 -0.1444564 -0.1305264 1.1584771 0.3994065 0.4330596 0.9847141 3.1996586 7 As 2.9510264 0.0357219 -0.1444564 0.1305264 1.1584771 -0.3994065 0.4330596 -0.9847141 3.1996586 8 As 2.9510264 -0.0357219 -0.1444564 -0.1305264 1.1584771 0.3994065 0.4330596 0.9847141 3.1996586 9 Se -2.1254610 0.1991806 -0.1033771 0.1931528 -0.1971205 -0.1199856 0.1285885 -0.1812337 -1.8701873 10 Se -2.1254610 -0.1991806 -0.1033771 -0.1931528 -0.1971205 0.1199856 0.1285885 0.1812337 -1.8701873 11 Se -2.1254610 0.1991806 -0.1033771 0.1931528 -0.1971205 -0.1199856 0.1285885 -0.1812337 -1.8701873 12 Se -2.1254610 -0.1991806 -0.1033771 -0.1931528 -0.1971205 0.1199856 0.1285885 0.1812337 -1.8701873 13 Se -1.8903937 -0.1725944 0.3812684 -0.3428313 -1.3376058 0.0402044 0.0851108 0.0064570 -1.9637075 14 Se -1.8903937 0.1725944 0.3812684 0.3428313 -1.3376058 -0.0402044 0.0851108 -0.0064570 -1.9637075 15 Se -1.8903937 -0.1725944 0.3812684 -0.3428313 -1.3376058 0.0402044 0.0851108 0.0064570 -1.9637075 16 Se -1.8903937 0.1725944 0.3812684 0.3428313 -1.3376058 -0.0402044 0.0851108 -0.0064570 -1.9637075 17 Se -2.2747475 -0.3589290 -0.0078507 0.0098970 -1.0018572 -0.1814511 -0.0135169 -0.2271531 -2.7787768 18 Se -2.2747475 0.3589290 -0.0078507 -0.0098970 -1.0018572 0.1814511 -0.0135169 0.2271531 -2.7787768 19 Se -2.2747475 -0.3589290 -0.0078507 0.0098970 -1.0018572 -0.1814511 -0.0135169 -0.2271531 -2.7787768 20 Se -2.2747475 0.3589290 -0.0078507 -0.0098970 -1.0018572 0.1814511 -0.0135169 0.2271531 -2.7787768 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2775 Number of blocks in projector: 2775 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 600 / 600 (1) 95 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 325 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 325 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 325 Use standard eigh solver. Tree of FC basis block matrices: - (2775, 2731), data: False |-- (325, 320), data: True |-- (325, 320), data: True |-- (325, 320), data: True |-- (600, 591), data: False |-- (600, 5), data: (600, 14) @ (14, 5) |-- (100, 95), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 1.711 Solver_block: 200 / 640 - Time: 1.300 Solver_block: 300 / 640 - Time: 1.586 Solver_block: 400 / 640 - Time: 1.508 Solver_block: 500 / 640 - Time: 1.182 Solver_block: 600 / 640 - Time: 0.948 Solver_block: 640 / 640 - Time: 0.442 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.037 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2775 Number of blocks in projector: 2775 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 600 / 600 (1) 95 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 325 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 325 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 325 Use standard eigh solver. Tree of FC basis block matrices: - (2775, 2731), data: False |-- (325, 320), data: True |-- (325, 320), data: True |-- (325, 320), data: True |-- (600, 591), data: False |-- (600, 5), data: (600, 14) @ (14, 5) |-- (100, 95), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 18:40:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:40:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.063963426455748 0.000000000000000 0.000000000000000 b 0.000000000000000 9.738573760000000 0.000000000000000 c -3.958451237545811 0.000000000000000 12.122900214231839 Atomic positions (fractional): 1 As 0.35046708471104 0.19353209097120 0.25985354241216 74.922 2 As 0.64953291528896 0.69353209097120 0.24014645758785 74.922 3 As 0.64953291528896 0.80646790902880 0.74014645758785 74.922 4 As 0.35046708471104 0.30646790902880 0.75985354241215 74.922 5 As 0.08734012003399 0.32996746503948 0.48637859368111 74.922 6 As 0.91265987996601 0.82996746503948 0.01362140631889 74.922 7 As 0.91265987996601 0.67003253496052 0.51362140631889 74.922 8 As 0.08734012003399 0.17003253496052 0.98637859368111 74.922 9 Se 0.88022043627952 0.11437854906880 0.39983487661087 78.960 10 Se 0.11977956372048 0.61437854906880 0.10016512338913 78.960 11 Se 0.11977956372048 0.88562145093120 0.60016512338913 78.960 12 Se 0.88022043627952 0.38562145093120 0.89983487661087 78.960 13 Se 0.32677874286572 0.41617660645701 0.34230796283657 78.960 14 Se 0.67322125713428 0.91617660645701 0.15769203716343 78.960 15 Se 0.67322125713428 0.58382339354299 0.65769203716343 78.960 16 Se 0.32677874286572 0.08382339354299 0.84230796283657 78.960 17 Se 0.57143611351741 0.29840873668210 0.11754699348437 78.960 18 Se 0.42856388648259 0.79840873668210 0.38245300651563 78.960 19 Se 0.42856388648259 0.70159126331790 0.88245300651563 78.960 20 Se 0.57143611351741 0.20159126331790 0.61754699348437 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.191890279367245 0.000000000000000 0.000000000000000 b 0.000000000000000 19.477147519999999 0.000000000000000 c -3.958451237545811 0.000000000000000 12.122900214231839 Atomic positions (fractional): 1 As 0.11682236157035 0.09676604548560 0.25985354241216 74.922 > 1 2 As 0.45015569490368 0.09676604548560 0.25985354241216 74.922 > 1 3 As 0.78348902823701 0.09676604548560 0.25985354241216 74.922 > 1 4 As 0.11682236157035 0.59676604548560 0.25985354241216 74.922 > 1 5 As 0.45015569490368 0.59676604548560 0.25985354241216 74.922 > 1 6 As 0.78348902823701 0.59676604548560 0.25985354241216 74.922 > 1 7 As 0.21651097176299 0.34676604548560 0.24014645758785 74.922 > 7 8 As 0.54984430509632 0.34676604548560 0.24014645758785 74.922 > 7 9 As 0.88317763842965 0.34676604548560 0.24014645758785 74.922 > 7 10 As 0.21651097176299 0.84676604548560 0.24014645758785 74.922 > 7 11 As 0.54984430509632 0.84676604548560 0.24014645758785 74.922 > 7 12 As 0.88317763842965 0.84676604548560 0.24014645758785 74.922 > 7 13 As 0.21651097176299 0.40323395451440 0.74014645758785 74.922 > 13 14 As 0.54984430509632 0.40323395451440 0.74014645758785 74.922 > 13 15 As 0.88317763842965 0.40323395451440 0.74014645758785 74.922 > 13 16 As 0.21651097176299 0.90323395451440 0.74014645758785 74.922 > 13 17 As 0.54984430509632 0.90323395451440 0.74014645758785 74.922 > 13 18 As 0.88317763842965 0.90323395451440 0.74014645758785 74.922 > 13 19 As 0.11682236157035 0.15323395451440 0.75985354241215 74.922 > 19 20 As 0.45015569490368 0.15323395451440 0.75985354241215 74.922 > 19 21 As 0.78348902823701 0.15323395451440 0.75985354241215 74.922 > 19 22 As 0.11682236157035 0.65323395451440 0.75985354241215 74.922 > 19 23 As 0.45015569490368 0.65323395451440 0.75985354241215 74.922 > 19 24 As 0.78348902823701 0.65323395451440 0.75985354241215 74.922 > 19 25 As 0.02911337334466 0.16498373251974 0.48637859368111 74.922 > 25 26 As 0.36244670667800 0.16498373251974 0.48637859368111 74.922 > 25 27 As 0.69578004001133 0.16498373251974 0.48637859368111 74.922 > 25 28 As 0.02911337334466 0.66498373251974 0.48637859368111 74.922 > 25 29 As 0.36244670667800 0.66498373251974 0.48637859368111 74.922 > 25 30 As 0.69578004001133 0.66498373251974 0.48637859368111 74.922 > 25 31 As 0.30421995998867 0.41498373251974 0.01362140631889 74.922 > 31 32 As 0.63755329332200 0.41498373251974 0.01362140631889 74.922 > 31 33 As 0.97088662665534 0.41498373251974 0.01362140631889 74.922 > 31 34 As 0.30421995998867 0.91498373251974 0.01362140631889 74.922 > 31 35 As 0.63755329332200 0.91498373251974 0.01362140631889 74.922 > 31 36 As 0.97088662665534 0.91498373251974 0.01362140631889 74.922 > 31 37 As 0.30421995998867 0.33501626748026 0.51362140631889 74.922 > 37 38 As 0.63755329332200 0.33501626748026 0.51362140631889 74.922 > 37 39 As 0.97088662665534 0.33501626748026 0.51362140631889 74.922 > 37 40 As 0.30421995998867 0.83501626748026 0.51362140631889 74.922 > 37 41 As 0.63755329332200 0.83501626748026 0.51362140631889 74.922 > 37 42 As 0.97088662665534 0.83501626748026 0.51362140631889 74.922 > 37 43 As 0.02911337334466 0.08501626748026 0.98637859368111 74.922 > 43 44 As 0.36244670667800 0.08501626748026 0.98637859368111 74.922 > 43 45 As 0.69578004001133 0.08501626748026 0.98637859368111 74.922 > 43 46 As 0.02911337334466 0.58501626748026 0.98637859368111 74.922 > 43 47 As 0.36244670667800 0.58501626748026 0.98637859368111 74.922 > 43 48 As 0.69578004001133 0.58501626748026 0.98637859368111 74.922 > 43 49 Se 0.29340681209317 0.05718927453440 0.39983487661087 78.960 > 49 50 Se 0.62674014542651 0.05718927453440 0.39983487661087 78.960 > 49 51 Se 0.96007347875984 0.05718927453440 0.39983487661087 78.960 > 49 52 Se 0.29340681209317 0.55718927453440 0.39983487661087 78.960 > 49 53 Se 0.62674014542651 0.55718927453440 0.39983487661087 78.960 > 49 54 Se 0.96007347875984 0.55718927453440 0.39983487661087 78.960 > 49 55 Se 0.03992652124016 0.30718927453440 0.10016512338913 78.960 > 55 56 Se 0.37325985457349 0.30718927453440 0.10016512338913 78.960 > 55 57 Se 0.70659318790683 0.30718927453440 0.10016512338913 78.960 > 55 58 Se 0.03992652124016 0.80718927453440 0.10016512338913 78.960 > 55 59 Se 0.37325985457349 0.80718927453440 0.10016512338913 78.960 > 55 60 Se 0.70659318790683 0.80718927453440 0.10016512338913 78.960 > 55 61 Se 0.03992652124016 0.44281072546560 0.60016512338913 78.960 > 61 62 Se 0.37325985457349 0.44281072546560 0.60016512338913 78.960 > 61 63 Se 0.70659318790683 0.44281072546560 0.60016512338913 78.960 > 61 64 Se 0.03992652124016 0.94281072546560 0.60016512338913 78.960 > 61 65 Se 0.37325985457349 0.94281072546560 0.60016512338913 78.960 > 61 66 Se 0.70659318790683 0.94281072546560 0.60016512338913 78.960 > 61 67 Se 0.29340681209317 0.19281072546560 0.89983487661087 78.960 > 67 68 Se 0.62674014542651 0.19281072546560 0.89983487661087 78.960 > 67 69 Se 0.96007347875984 0.19281072546560 0.89983487661087 78.960 > 67 70 Se 0.29340681209317 0.69281072546560 0.89983487661087 78.960 > 67 71 Se 0.62674014542651 0.69281072546560 0.89983487661087 78.960 > 67 72 Se 0.96007347875984 0.69281072546560 0.89983487661087 78.960 > 67 73 Se 0.10892624762191 0.20808830322851 0.34230796283657 78.960 > 73 74 Se 0.44225958095524 0.20808830322851 0.34230796283657 78.960 > 73 75 Se 0.77559291428857 0.20808830322851 0.34230796283657 78.960 > 73 76 Se 0.10892624762191 0.70808830322851 0.34230796283657 78.960 > 73 77 Se 0.44225958095524 0.70808830322851 0.34230796283657 78.960 > 73 78 Se 0.77559291428857 0.70808830322851 0.34230796283657 78.960 > 73 79 Se 0.22440708571143 0.45808830322851 0.15769203716343 78.960 > 79 80 Se 0.55774041904476 0.45808830322851 0.15769203716343 78.960 > 79 81 Se 0.89107375237809 0.45808830322851 0.15769203716343 78.960 > 79 82 Se 0.22440708571143 0.95808830322851 0.15769203716343 78.960 > 79 83 Se 0.55774041904476 0.95808830322851 0.15769203716343 78.960 > 79 84 Se 0.89107375237809 0.95808830322851 0.15769203716343 78.960 > 79 85 Se 0.22440708571143 0.29191169677149 0.65769203716343 78.960 > 85 86 Se 0.55774041904476 0.29191169677149 0.65769203716343 78.960 > 85 87 Se 0.89107375237809 0.29191169677149 0.65769203716343 78.960 > 85 88 Se 0.22440708571143 0.79191169677149 0.65769203716343 78.960 > 85 89 Se 0.55774041904476 0.79191169677149 0.65769203716343 78.960 > 85 90 Se 0.89107375237809 0.79191169677149 0.65769203716343 78.960 > 85 91 Se 0.10892624762191 0.04191169677149 0.84230796283657 78.960 > 91 92 Se 0.44225958095524 0.04191169677149 0.84230796283657 78.960 > 91 93 Se 0.77559291428857 0.04191169677149 0.84230796283657 78.960 > 91 94 Se 0.10892624762191 0.54191169677149 0.84230796283657 78.960 > 91 95 Se 0.44225958095524 0.54191169677149 0.84230796283657 78.960 > 91 96 Se 0.77559291428857 0.54191169677149 0.84230796283657 78.960 > 91 97 Se 0.19047870450580 0.14920436834105 0.11754699348437 78.960 > 97 98 Se 0.52381203783914 0.14920436834105 0.11754699348437 78.960 > 97 99 Se 0.85714537117247 0.14920436834105 0.11754699348437 78.960 > 97 100 Se 0.19047870450580 0.64920436834105 0.11754699348437 78.960 > 97 101 Se 0.52381203783914 0.64920436834105 0.11754699348437 78.960 > 97 102 Se 0.85714537117247 0.64920436834105 0.11754699348437 78.960 > 97 103 Se 0.14285462882753 0.39920436834105 0.38245300651563 78.960 > 103 104 Se 0.47618796216086 0.39920436834105 0.38245300651563 78.960 > 103 105 Se 0.80952129549420 0.39920436834105 0.38245300651563 78.960 > 103 106 Se 0.14285462882753 0.89920436834105 0.38245300651563 78.960 > 103 107 Se 0.47618796216086 0.89920436834105 0.38245300651563 78.960 > 103 108 Se 0.80952129549420 0.89920436834105 0.38245300651563 78.960 > 103 109 Se 0.14285462882753 0.35079563165895 0.88245300651563 78.960 > 109 110 Se 0.47618796216086 0.35079563165895 0.88245300651563 78.960 > 109 111 Se 0.80952129549420 0.35079563165895 0.88245300651563 78.960 > 109 112 Se 0.14285462882753 0.85079563165895 0.88245300651563 78.960 > 109 113 Se 0.47618796216086 0.85079563165895 0.88245300651563 78.960 > 109 114 Se 0.80952129549420 0.85079563165895 0.88245300651563 78.960 > 109 115 Se 0.19047870450580 0.10079563165895 0.61754699348437 78.960 > 115 116 Se 0.52381203783914 0.10079563165895 0.61754699348437 78.960 > 115 117 Se 0.85714537117247 0.10079563165895 0.61754699348437 78.960 > 115 118 Se 0.19047870450580 0.60079563165895 0.61754699348437 78.960 > 115 119 Se 0.52381203783914 0.60079563165895 0.61754699348437 78.960 > 115 120 Se 0.85714537117247 0.60079563165895 0.61754699348437 78.960 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.3369330 0.0000000 -1.0180868 0.0000000 11.3976489 0.0000000 -1.0180855 0.0000000 17.3778561 -------------------------- Born effective charges -------------------------- 1 As 3.3395758 -0.1177185 -0.1255842 -0.3091233 1.3781063 0.3443295 -0.6332419 -0.7033708 3.4130130 2 As 3.3395758 0.1177185 -0.1255842 0.3091233 1.3781063 -0.3443295 -0.6332419 0.7033708 3.4130130 3 As 3.3395758 -0.1177185 -0.1255842 -0.3091233 1.3781063 0.3443295 -0.6332419 -0.7033708 3.4130130 4 As 3.3395758 0.1177185 -0.1255842 0.3091233 1.3781063 -0.3443295 -0.6332419 0.7033708 3.4130130 5 As 2.9510264 0.0357219 -0.1444564 0.1305264 1.1584771 -0.3994065 0.4330596 -0.9847141 3.1996586 6 As 2.9510264 -0.0357219 -0.1444564 -0.1305264 1.1584771 0.3994065 0.4330596 0.9847141 3.1996586 7 As 2.9510264 0.0357219 -0.1444564 0.1305264 1.1584771 -0.3994065 0.4330596 -0.9847141 3.1996586 8 As 2.9510264 -0.0357219 -0.1444564 -0.1305264 1.1584771 0.3994065 0.4330596 0.9847141 3.1996586 9 Se -2.1254610 0.1991806 -0.1033771 0.1931528 -0.1971205 -0.1199856 0.1285885 -0.1812337 -1.8701873 10 Se -2.1254610 -0.1991806 -0.1033771 -0.1931528 -0.1971205 0.1199856 0.1285885 0.1812337 -1.8701873 11 Se -2.1254610 0.1991806 -0.1033771 0.1931528 -0.1971205 -0.1199856 0.1285885 -0.1812337 -1.8701873 12 Se -2.1254610 -0.1991806 -0.1033771 -0.1931528 -0.1971205 0.1199856 0.1285885 0.1812337 -1.8701873 13 Se -1.8903937 -0.1725944 0.3812684 -0.3428313 -1.3376058 0.0402044 0.0851108 0.0064570 -1.9637075 14 Se -1.8903937 0.1725944 0.3812684 0.3428313 -1.3376058 -0.0402044 0.0851108 -0.0064570 -1.9637075 15 Se -1.8903937 -0.1725944 0.3812684 -0.3428313 -1.3376058 0.0402044 0.0851108 0.0064570 -1.9637075 16 Se -1.8903937 0.1725944 0.3812684 0.3428313 -1.3376058 -0.0402044 0.0851108 -0.0064570 -1.9637075 17 Se -2.2747475 -0.3589290 -0.0078507 0.0098970 -1.0018572 -0.1814511 -0.0135169 -0.2271531 -2.7787768 18 Se -2.2747475 0.3589290 -0.0078507 -0.0098970 -1.0018572 0.1814511 -0.0135169 0.2271531 -2.7787768 19 Se -2.2747475 -0.3589290 -0.0078507 0.0098970 -1.0018572 -0.1814511 -0.0135169 -0.2271531 -2.7787768 20 Se -2.2747475 0.3589290 -0.0078507 -0.0098970 -1.0018572 0.1814511 -0.0135169 0.2271531 -2.7787768 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (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 18:41:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:41:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.063963426455748 0.000000000000000 0.000000000000000 b 0.000000000000000 9.738573760000000 0.000000000000000 c -3.958451237545811 0.000000000000000 12.122900214231839 Atomic positions (fractional): 1 As 0.35046708471104 0.19353209097120 0.25985354241216 74.922 2 As 0.64953291528896 0.69353209097120 0.24014645758785 74.922 3 As 0.64953291528896 0.80646790902880 0.74014645758785 74.922 4 As 0.35046708471104 0.30646790902880 0.75985354241215 74.922 5 As 0.08734012003399 0.32996746503948 0.48637859368111 74.922 6 As 0.91265987996601 0.82996746503948 0.01362140631889 74.922 7 As 0.91265987996601 0.67003253496052 0.51362140631889 74.922 8 As 0.08734012003399 0.17003253496052 0.98637859368111 74.922 9 Se 0.88022043627952 0.11437854906880 0.39983487661087 78.960 10 Se 0.11977956372048 0.61437854906880 0.10016512338913 78.960 11 Se 0.11977956372048 0.88562145093120 0.60016512338913 78.960 12 Se 0.88022043627952 0.38562145093120 0.89983487661087 78.960 13 Se 0.32677874286572 0.41617660645701 0.34230796283657 78.960 14 Se 0.67322125713428 0.91617660645701 0.15769203716343 78.960 15 Se 0.67322125713428 0.58382339354299 0.65769203716343 78.960 16 Se 0.32677874286572 0.08382339354299 0.84230796283657 78.960 17 Se 0.57143611351741 0.29840873668210 0.11754699348437 78.960 18 Se 0.42856388648259 0.79840873668210 0.38245300651563 78.960 19 Se 0.42856388648259 0.70159126331790 0.88245300651563 78.960 20 Se 0.57143611351741 0.20159126331790 0.61754699348437 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.191890279367245 0.000000000000000 0.000000000000000 b 0.000000000000000 19.477147519999999 0.000000000000000 c -3.958451237545811 0.000000000000000 12.122900214231839 Atomic positions (fractional): 1 As 0.11682236157035 0.09676604548560 0.25985354241216 74.922 > 1 2 As 0.45015569490368 0.09676604548560 0.25985354241216 74.922 > 1 3 As 0.78348902823701 0.09676604548560 0.25985354241216 74.922 > 1 4 As 0.11682236157035 0.59676604548560 0.25985354241216 74.922 > 1 5 As 0.45015569490368 0.59676604548560 0.25985354241216 74.922 > 1 6 As 0.78348902823701 0.59676604548560 0.25985354241216 74.922 > 1 7 As 0.21651097176299 0.34676604548560 0.24014645758785 74.922 > 7 8 As 0.54984430509632 0.34676604548560 0.24014645758785 74.922 > 7 9 As 0.88317763842965 0.34676604548560 0.24014645758785 74.922 > 7 10 As 0.21651097176299 0.84676604548560 0.24014645758785 74.922 > 7 11 As 0.54984430509632 0.84676604548560 0.24014645758785 74.922 > 7 12 As 0.88317763842965 0.84676604548560 0.24014645758785 74.922 > 7 13 As 0.21651097176299 0.40323395451440 0.74014645758785 74.922 > 13 14 As 0.54984430509632 0.40323395451440 0.74014645758785 74.922 > 13 15 As 0.88317763842965 0.40323395451440 0.74014645758785 74.922 > 13 16 As 0.21651097176299 0.90323395451440 0.74014645758785 74.922 > 13 17 As 0.54984430509632 0.90323395451440 0.74014645758785 74.922 > 13 18 As 0.88317763842965 0.90323395451440 0.74014645758785 74.922 > 13 19 As 0.11682236157035 0.15323395451440 0.75985354241215 74.922 > 19 20 As 0.45015569490368 0.15323395451440 0.75985354241215 74.922 > 19 21 As 0.78348902823701 0.15323395451440 0.75985354241215 74.922 > 19 22 As 0.11682236157035 0.65323395451440 0.75985354241215 74.922 > 19 23 As 0.45015569490368 0.65323395451440 0.75985354241215 74.922 > 19 24 As 0.78348902823701 0.65323395451440 0.75985354241215 74.922 > 19 25 As 0.02911337334466 0.16498373251974 0.48637859368111 74.922 > 25 26 As 0.36244670667800 0.16498373251974 0.48637859368111 74.922 > 25 27 As 0.69578004001133 0.16498373251974 0.48637859368111 74.922 > 25 28 As 0.02911337334466 0.66498373251974 0.48637859368111 74.922 > 25 29 As 0.36244670667800 0.66498373251974 0.48637859368111 74.922 > 25 30 As 0.69578004001133 0.66498373251974 0.48637859368111 74.922 > 25 31 As 0.30421995998867 0.41498373251974 0.01362140631889 74.922 > 31 32 As 0.63755329332200 0.41498373251974 0.01362140631889 74.922 > 31 33 As 0.97088662665534 0.41498373251974 0.01362140631889 74.922 > 31 34 As 0.30421995998867 0.91498373251974 0.01362140631889 74.922 > 31 35 As 0.63755329332200 0.91498373251974 0.01362140631889 74.922 > 31 36 As 0.97088662665534 0.91498373251974 0.01362140631889 74.922 > 31 37 As 0.30421995998867 0.33501626748026 0.51362140631889 74.922 > 37 38 As 0.63755329332200 0.33501626748026 0.51362140631889 74.922 > 37 39 As 0.97088662665534 0.33501626748026 0.51362140631889 74.922 > 37 40 As 0.30421995998867 0.83501626748026 0.51362140631889 74.922 > 37 41 As 0.63755329332200 0.83501626748026 0.51362140631889 74.922 > 37 42 As 0.97088662665534 0.83501626748026 0.51362140631889 74.922 > 37 43 As 0.02911337334466 0.08501626748026 0.98637859368111 74.922 > 43 44 As 0.36244670667800 0.08501626748026 0.98637859368111 74.922 > 43 45 As 0.69578004001133 0.08501626748026 0.98637859368111 74.922 > 43 46 As 0.02911337334466 0.58501626748026 0.98637859368111 74.922 > 43 47 As 0.36244670667800 0.58501626748026 0.98637859368111 74.922 > 43 48 As 0.69578004001133 0.58501626748026 0.98637859368111 74.922 > 43 49 Se 0.29340681209317 0.05718927453440 0.39983487661087 78.960 > 49 50 Se 0.62674014542651 0.05718927453440 0.39983487661087 78.960 > 49 51 Se 0.96007347875984 0.05718927453440 0.39983487661087 78.960 > 49 52 Se 0.29340681209317 0.55718927453440 0.39983487661087 78.960 > 49 53 Se 0.62674014542651 0.55718927453440 0.39983487661087 78.960 > 49 54 Se 0.96007347875984 0.55718927453440 0.39983487661087 78.960 > 49 55 Se 0.03992652124016 0.30718927453440 0.10016512338913 78.960 > 55 56 Se 0.37325985457349 0.30718927453440 0.10016512338913 78.960 > 55 57 Se 0.70659318790683 0.30718927453440 0.10016512338913 78.960 > 55 58 Se 0.03992652124016 0.80718927453440 0.10016512338913 78.960 > 55 59 Se 0.37325985457349 0.80718927453440 0.10016512338913 78.960 > 55 60 Se 0.70659318790683 0.80718927453440 0.10016512338913 78.960 > 55 61 Se 0.03992652124016 0.44281072546560 0.60016512338913 78.960 > 61 62 Se 0.37325985457349 0.44281072546560 0.60016512338913 78.960 > 61 63 Se 0.70659318790683 0.44281072546560 0.60016512338913 78.960 > 61 64 Se 0.03992652124016 0.94281072546560 0.60016512338913 78.960 > 61 65 Se 0.37325985457349 0.94281072546560 0.60016512338913 78.960 > 61 66 Se 0.70659318790683 0.94281072546560 0.60016512338913 78.960 > 61 67 Se 0.29340681209317 0.19281072546560 0.89983487661087 78.960 > 67 68 Se 0.62674014542651 0.19281072546560 0.89983487661087 78.960 > 67 69 Se 0.96007347875984 0.19281072546560 0.89983487661087 78.960 > 67 70 Se 0.29340681209317 0.69281072546560 0.89983487661087 78.960 > 67 71 Se 0.62674014542651 0.69281072546560 0.89983487661087 78.960 > 67 72 Se 0.96007347875984 0.69281072546560 0.89983487661087 78.960 > 67 73 Se 0.10892624762191 0.20808830322851 0.34230796283657 78.960 > 73 74 Se 0.44225958095524 0.20808830322851 0.34230796283657 78.960 > 73 75 Se 0.77559291428857 0.20808830322851 0.34230796283657 78.960 > 73 76 Se 0.10892624762191 0.70808830322851 0.34230796283657 78.960 > 73 77 Se 0.44225958095524 0.70808830322851 0.34230796283657 78.960 > 73 78 Se 0.77559291428857 0.70808830322851 0.34230796283657 78.960 > 73 79 Se 0.22440708571143 0.45808830322851 0.15769203716343 78.960 > 79 80 Se 0.55774041904476 0.45808830322851 0.15769203716343 78.960 > 79 81 Se 0.89107375237809 0.45808830322851 0.15769203716343 78.960 > 79 82 Se 0.22440708571143 0.95808830322851 0.15769203716343 78.960 > 79 83 Se 0.55774041904476 0.95808830322851 0.15769203716343 78.960 > 79 84 Se 0.89107375237809 0.95808830322851 0.15769203716343 78.960 > 79 85 Se 0.22440708571143 0.29191169677149 0.65769203716343 78.960 > 85 86 Se 0.55774041904476 0.29191169677149 0.65769203716343 78.960 > 85 87 Se 0.89107375237809 0.29191169677149 0.65769203716343 78.960 > 85 88 Se 0.22440708571143 0.79191169677149 0.65769203716343 78.960 > 85 89 Se 0.55774041904476 0.79191169677149 0.65769203716343 78.960 > 85 90 Se 0.89107375237809 0.79191169677149 0.65769203716343 78.960 > 85 91 Se 0.10892624762191 0.04191169677149 0.84230796283657 78.960 > 91 92 Se 0.44225958095524 0.04191169677149 0.84230796283657 78.960 > 91 93 Se 0.77559291428857 0.04191169677149 0.84230796283657 78.960 > 91 94 Se 0.10892624762191 0.54191169677149 0.84230796283657 78.960 > 91 95 Se 0.44225958095524 0.54191169677149 0.84230796283657 78.960 > 91 96 Se 0.77559291428857 0.54191169677149 0.84230796283657 78.960 > 91 97 Se 0.19047870450580 0.14920436834105 0.11754699348437 78.960 > 97 98 Se 0.52381203783914 0.14920436834105 0.11754699348437 78.960 > 97 99 Se 0.85714537117247 0.14920436834105 0.11754699348437 78.960 > 97 100 Se 0.19047870450580 0.64920436834105 0.11754699348437 78.960 > 97 101 Se 0.52381203783914 0.64920436834105 0.11754699348437 78.960 > 97 102 Se 0.85714537117247 0.64920436834105 0.11754699348437 78.960 > 97 103 Se 0.14285462882753 0.39920436834105 0.38245300651563 78.960 > 103 104 Se 0.47618796216086 0.39920436834105 0.38245300651563 78.960 > 103 105 Se 0.80952129549420 0.39920436834105 0.38245300651563 78.960 > 103 106 Se 0.14285462882753 0.89920436834105 0.38245300651563 78.960 > 103 107 Se 0.47618796216086 0.89920436834105 0.38245300651563 78.960 > 103 108 Se 0.80952129549420 0.89920436834105 0.38245300651563 78.960 > 103 109 Se 0.14285462882753 0.35079563165895 0.88245300651563 78.960 > 109 110 Se 0.47618796216086 0.35079563165895 0.88245300651563 78.960 > 109 111 Se 0.80952129549420 0.35079563165895 0.88245300651563 78.960 > 109 112 Se 0.14285462882753 0.85079563165895 0.88245300651563 78.960 > 109 113 Se 0.47618796216086 0.85079563165895 0.88245300651563 78.960 > 109 114 Se 0.80952129549420 0.85079563165895 0.88245300651563 78.960 > 109 115 Se 0.19047870450580 0.10079563165895 0.61754699348437 78.960 > 115 116 Se 0.52381203783914 0.10079563165895 0.61754699348437 78.960 > 115 117 Se 0.85714537117247 0.10079563165895 0.61754699348437 78.960 > 115 118 Se 0.19047870450580 0.60079563165895 0.61754699348437 78.960 > 115 119 Se 0.52381203783914 0.60079563165895 0.61754699348437 78.960 > 115 120 Se 0.85714537117247 0.60079563165895 0.61754699348437 78.960 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 16.3369330 0.0000000 -1.0180868 0.0000000 11.3976489 0.0000000 -1.0180855 0.0000000 17.3778561 -------------------------- Born effective charges -------------------------- 1 As 3.3395758 -0.1177185 -0.1255842 -0.3091233 1.3781063 0.3443295 -0.6332419 -0.7033708 3.4130130 2 As 3.3395758 0.1177185 -0.1255842 0.3091233 1.3781063 -0.3443295 -0.6332419 0.7033708 3.4130130 3 As 3.3395758 -0.1177185 -0.1255842 -0.3091233 1.3781063 0.3443295 -0.6332419 -0.7033708 3.4130130 4 As 3.3395758 0.1177185 -0.1255842 0.3091233 1.3781063 -0.3443295 -0.6332419 0.7033708 3.4130130 5 As 2.9510264 0.0357219 -0.1444564 0.1305264 1.1584771 -0.3994065 0.4330596 -0.9847141 3.1996586 6 As 2.9510264 -0.0357219 -0.1444564 -0.1305264 1.1584771 0.3994065 0.4330596 0.9847141 3.1996586 7 As 2.9510264 0.0357219 -0.1444564 0.1305264 1.1584771 -0.3994065 0.4330596 -0.9847141 3.1996586 8 As 2.9510264 -0.0357219 -0.1444564 -0.1305264 1.1584771 0.3994065 0.4330596 0.9847141 3.1996586 9 Se -2.1254610 0.1991806 -0.1033771 0.1931528 -0.1971205 -0.1199856 0.1285885 -0.1812337 -1.8701873 10 Se -2.1254610 -0.1991806 -0.1033771 -0.1931528 -0.1971205 0.1199856 0.1285885 0.1812337 -1.8701873 11 Se -2.1254610 0.1991806 -0.1033771 0.1931528 -0.1971205 -0.1199856 0.1285885 -0.1812337 -1.8701873 12 Se -2.1254610 -0.1991806 -0.1033771 -0.1931528 -0.1971205 0.1199856 0.1285885 0.1812337 -1.8701873 13 Se -1.8903937 -0.1725944 0.3812684 -0.3428313 -1.3376058 0.0402044 0.0851108 0.0064570 -1.9637075 14 Se -1.8903937 0.1725944 0.3812684 0.3428313 -1.3376058 -0.0402044 0.0851108 -0.0064570 -1.9637075 15 Se -1.8903937 -0.1725944 0.3812684 -0.3428313 -1.3376058 0.0402044 0.0851108 0.0064570 -1.9637075 16 Se -1.8903937 0.1725944 0.3812684 0.3428313 -1.3376058 -0.0402044 0.0851108 -0.0064570 -1.9637075 17 Se -2.2747475 -0.3589290 -0.0078507 0.0098970 -1.0018572 -0.1814511 -0.0135169 -0.2271531 -2.7787768 18 Se -2.2747475 0.3589290 -0.0078507 -0.0098970 -1.0018572 0.1814511 -0.0135169 0.2271531 -2.7787768 19 Se -2.2747475 -0.3589290 -0.0078507 0.0098970 -1.0018572 -0.1814511 -0.0135169 -0.2271531 -2.7787768 20 Se -2.2747475 0.3589290 -0.0078507 -0.0098970 -1.0018572 0.1814511 -0.0135169 0.2271531 -2.7787768 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 13 5 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 303, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/81) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.565 ( 0.000 0.000 0.000) 0.000 0.887 ( 0.000 0.000 0.000) 0.000 1.039 ( 0.000 0.000 0.000) 0.000 1.382 ( 0.000 0.000 0.000) 0.000 1.425 ( 0.000 0.000 0.000) 0.000 1.450 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.596 ( 0.000 0.000 0.000) 0.000 1.614 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 1.992 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.677 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 2.727 ( 0.000 0.000 0.000) 0.000 2.900 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.442 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.523 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 5.447 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 5.978 ( 0.000 0.000 0.000) 0.000 6.038 ( 0.000 0.000 0.000) 0.000 6.225 ( 0.000 0.000 0.000) 0.000 6.299 ( 0.000 0.000 0.000) 0.000 6.321 ( 0.000 0.000 0.000) 0.000 6.328 ( 0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 6.979 ( 0.000 0.000 0.000) 0.000 7.009 ( 0.000 0.000 0.000) 0.000 7.017 ( 0.000 0.000 0.000) 0.000 7.158 ( 0.000 0.000 0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.288 ( 0.000 0.000 0.000) 0.000 7.442 ( 0.000 0.000 0.000) 0.000 7.884 ( 0.000 0.000 0.000) 0.000 7.910 ( 0.000 0.000 0.000) 0.000 7.920 ( 0.000 0.000 0.000) 0.000 8.047 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/81) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.203 ( 10.034 0.000 4.793) 11.120 0.335 ( 20.928 0.000 -8.146) 22.458 0.533 ( 18.754 0.000 24.880) 31.156 0.704 ( 13.245 0.000 -1.389) 13.317 0.947 ( 5.371 0.000 3.747) 6.549 1.129 ( 7.053 0.000 4.624) 8.434 1.382 ( 2.135 0.000 -5.816) 6.195 1.401 ( 0.091 0.000 -5.723) 5.724 1.460 ( 1.406 0.000 -3.465) 3.739 1.565 ( 2.619 0.000 2.416) 3.564 1.580 ( -1.684 0.000 -2.361) 2.900 1.666 ( 3.277 0.000 9.234) 9.798 1.875 ( -2.222 0.000 -7.434) 7.759 1.984 ( 0.835 0.000 -0.018) 0.835 2.076 ( 4.400 0.000 3.367) 5.541 2.226 ( 0.244 0.000 -2.147) 2.161 2.659 ( -4.129 0.000 -1.932) 4.559 2.659 ( -0.216 0.000 1.101) 1.122 2.726 ( -0.636 0.000 -3.647) 3.703 2.827 ( -6.415 0.000 9.629) 11.571 2.864 ( -0.860 0.000 -3.009) 3.129 2.889 ( -2.954 0.000 2.733) 4.024 2.910 ( -2.233 0.000 -6.697) 7.060 3.002 ( -1.982 0.000 -1.764) 2.653 3.053 ( 1.804 0.000 -3.920) 4.315 3.101 ( 0.886 0.000 3.503) 3.614 3.123 ( -0.429 0.000 -0.437) 0.612 3.185 ( 1.099 0.000 -3.908) 4.060 3.400 ( -1.421 0.000 -0.820) 1.641 3.458 ( 2.688 0.000 -3.556) 4.458 3.466 ( 3.959 0.000 -0.878) 4.055 3.547 ( 3.740 0.000 -1.481) 4.022 3.553 ( 2.365 0.000 3.000) 3.820 3.784 ( 1.514 0.000 5.071) 5.292 3.951 ( -1.566 0.000 0.649) 1.695 3.996 ( -0.098 0.000 -1.221) 1.225 5.272 ( -2.660 0.000 7.046) 7.531 5.301 ( -1.116 0.000 5.377) 5.492 5.361 ( -1.384 0.000 0.267) 1.410 5.428 ( -1.233 0.000 -1.979) 2.332 5.871 ( 3.802 0.000 -0.741) 3.874 5.979 ( 0.193 0.000 -0.508) 0.543 6.065 ( 1.937 0.000 2.420) 3.100 6.072 ( 5.302 0.000 -11.296) 12.478 6.315 ( 1.801 0.000 -0.107) 1.804 6.332 ( -0.330 0.000 3.048) 3.066 6.336 ( 2.799 0.000 -3.825) 4.740 6.595 ( -1.477 0.000 9.706) 9.818 6.896 ( -3.405 0.000 -0.499) 3.441 6.955 ( -2.486 0.000 -0.424) 2.522 6.980 ( -2.937 0.000 -2.116) 3.620 6.985 ( -3.293 0.000 0.099) 3.295 7.157 ( -0.062 0.000 -0.398) 0.402 7.166 ( 0.828 0.000 -0.104) 0.834 7.293 ( 0.092 0.000 1.340) 1.343 7.437 ( -0.120 0.000 -1.151) 1.157 7.887 ( -1.949 0.000 -1.232) 2.306 7.889 ( 0.450 0.000 0.291) 0.536 7.901 ( -2.192 0.000 0.740) 2.313 8.038 ( -0.996 0.000 0.276) 1.033 ======================= Grid point 2 (3/81) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 11.932 0.000 7.321) 13.999 0.685 ( 19.579 0.000 -3.809) 19.946 0.929 ( 14.270 0.000 1.336) 14.332 1.029 ( 14.462 0.000 13.032) 19.468 1.149 ( 12.477 0.000 8.291) 14.980 1.337 ( 10.592 0.000 7.299) 12.863 1.380 ( 3.052 0.000 -9.091) 9.590 1.403 ( 4.018 0.000 -5.050) 6.453 1.444 ( 0.182 0.000 -6.414) 6.417 1.564 ( 1.722 0.000 -1.955) 2.605 1.636 ( 2.772 0.000 2.567) 3.778 1.800 ( -0.600 0.000 -7.357) 7.382 1.819 ( 5.590 0.000 11.135) 12.460 1.963 ( -1.983 0.000 -3.798) 4.284 2.168 ( 3.513 0.000 -0.794) 3.601 2.236 ( 2.023 0.000 -0.177) 2.031 2.568 ( -3.770 0.000 -2.313) 4.423 2.650 ( -2.150 0.000 2.630) 3.397 2.658 ( -3.140 0.000 -4.729) 5.676 2.755 ( -6.371 0.000 6.631) 9.196 2.817 ( -4.132 0.000 -2.990) 5.100 2.835 ( -1.850 0.000 1.285) 2.253 2.854 ( -2.780 0.000 3.707) 4.634 2.939 ( -3.274 0.000 -1.279) 3.515 3.052 ( -0.090 0.000 -2.849) 2.850 3.096 ( -1.837 0.000 -1.036) 2.109 3.101 ( -2.233 0.000 0.758) 2.358 3.159 ( -2.054 0.000 -2.036) 2.892 3.373 ( 0.663 0.000 -4.897) 4.942 3.491 ( 3.050 0.000 -4.144) 5.146 3.511 ( 2.535 0.000 -5.679) 6.219 3.617 ( 3.444 0.000 1.055) 3.602 3.668 ( 5.173 0.000 8.513) 9.961 3.857 ( 2.224 0.000 5.796) 6.208 3.923 ( -2.206 0.000 2.407) 3.265 3.978 ( -0.405 0.000 -2.958) 2.986 5.265 ( -1.766 0.000 4.110) 4.473 5.306 ( -1.570 0.000 4.352) 4.627 5.324 ( -2.603 0.000 -0.016) 2.603 5.381 ( -2.074 0.000 -2.864) 3.536 5.937 ( 3.209 0.000 -1.368) 3.489 5.975 ( -0.073 0.000 -1.237) 1.239 6.116 ( 3.543 0.000 -2.728) 4.471 6.126 ( 1.643 0.000 4.286) 4.590 6.355 ( 1.990 0.000 0.827) 2.155 6.371 ( 4.355 0.000 -0.380) 4.372 6.391 ( 4.879 0.000 -2.002) 5.274 6.637 ( 1.655 0.000 2.264) 2.805 6.804 ( -5.527 0.000 -0.693) 5.570 6.880 ( -4.707 0.000 -0.813) 4.777 6.893 ( -4.316 0.000 -2.257) 4.870 6.901 ( -5.408 0.000 0.168) 5.410 7.162 ( 0.870 0.000 -0.023) 0.871 7.188 ( 1.629 0.000 -0.289) 1.654 7.308 ( 0.377 0.000 2.218) 2.250 7.426 ( 0.135 0.000 -2.137) 2.141 7.829 ( -3.242 0.000 -0.872) 3.357 7.850 ( -3.660 0.000 1.041) 3.805 7.901 ( 0.512 0.000 0.212) 0.554 8.013 ( -1.759 0.000 0.131) 1.764 ======================= Grid point 3 (4/81) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 13.207 0.000 9.005) 15.985 1.015 ( 16.508 0.000 -1.258) 16.556 1.179 ( 13.455 0.000 -4.975) 14.346 1.295 ( 8.911 0.000 4.438) 9.955 1.392 ( 2.386 0.000 -10.003) 10.284 1.408 ( 8.307 0.000 1.337) 8.414 1.432 ( 4.517 0.000 -3.970) 6.014 1.514 ( 8.625 0.000 4.719) 9.831 1.600 ( 3.740 0.000 -5.726) 6.839 1.623 ( 12.004 0.000 12.083) 17.033 1.694 ( 2.450 0.000 2.728) 3.667 1.764 ( 0.960 0.000 -5.824) 5.903 1.880 ( -3.420 0.000 -3.598) 4.964 1.990 ( 5.222 0.000 9.143) 10.529 2.199 ( 2.119 0.000 -4.504) 4.978 2.269 ( -0.057 0.000 -0.070) 0.090 2.492 ( -3.120 0.000 -0.407) 3.146 2.588 ( -1.207 0.000 -2.120) 2.439 2.612 ( -3.644 0.000 2.870) 4.639 2.667 ( -6.080 0.000 3.056) 6.805 2.724 ( -4.785 0.000 0.914) 4.872 2.803 ( -3.258 0.000 3.298) 4.636 2.823 ( -3.076 0.000 4.293) 5.282 2.875 ( -3.261 0.000 1.198) 3.474 3.010 ( -2.381 0.000 -2.167) 3.220 3.032 ( -4.922 0.000 -0.810) 4.988 3.051 ( -2.724 0.000 1.103) 2.939 3.090 ( -4.365 0.000 0.487) 4.392 3.365 ( 2.576 0.000 -7.697) 8.116 3.505 ( 0.737 0.000 -5.421) 5.471 3.513 ( 2.305 0.000 -5.910) 6.343 3.680 ( 2.710 0.000 -0.151) 2.714 3.802 ( 3.410 0.000 5.242) 6.254 3.897 ( -2.629 0.000 3.182) 4.128 3.932 ( 2.411 0.000 4.831) 5.399 3.952 ( 0.014 0.000 -2.886) 2.886 5.254 ( -1.863 0.000 3.376) 3.856 5.266 ( -3.190 0.000 -0.741) 3.275 5.294 ( -2.079 0.000 3.028) 3.673 5.319 ( -2.677 0.000 -2.486) 3.653 5.962 ( -0.225 0.000 -1.977) 1.989 5.968 ( 0.942 0.000 -0.754) 1.207 6.152 ( 1.101 0.000 -0.818) 1.372 6.155 ( -1.185 0.000 2.894) 3.127 6.434 ( 5.709 0.000 0.948) 5.787 6.459 ( 3.911 0.000 -0.020) 3.911 6.489 ( 5.577 0.000 0.399) 5.592 6.641 ( -3.188 0.000 -2.087) 3.811 6.718 ( -1.819 0.000 0.607) 1.918 6.786 ( -4.268 0.000 -0.368) 4.283 6.795 ( -5.675 0.000 0.463) 5.694 6.822 ( -0.180 0.000 -3.404) 3.409 7.188 ( 1.657 0.000 0.357) 1.695 7.228 ( 2.954 0.000 -0.505) 2.997 7.332 ( 0.547 0.000 2.545) 2.603 7.419 ( 0.793 0.000 -2.752) 2.864 7.762 ( -3.460 0.000 0.453) 3.489 7.784 ( -4.058 0.000 1.939) 4.497 7.906 ( -0.100 0.000 -0.483) 0.493 7.974 ( -2.242 0.000 -0.567) 2.312 ======================= Grid point 4 (5/81) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 12.421 0.000 8.527) 15.066 1.268 ( 10.374 0.000 -2.998) 10.799 1.366 ( 10.023 0.000 -4.396) 10.945 1.375 ( 1.302 0.000 -4.863) 5.034 1.455 ( 9.068 0.000 -4.634) 10.183 1.527 ( 6.879 0.000 -5.223) 8.637 1.561 ( 5.809 0.000 4.594) 7.406 1.610 ( 2.332 0.000 -8.222) 8.547 1.687 ( 5.926 0.000 0.034) 5.926 1.732 ( 2.385 0.000 5.143) 5.669 1.757 ( 1.209 0.000 -3.897) 4.080 1.836 ( 0.641 0.000 0.003) 0.641 1.913 ( 7.429 0.000 11.836) 13.974 2.114 ( 3.245 0.000 5.140) 6.079 2.194 ( -1.176 0.000 -1.860) 2.200 2.234 ( -0.238 0.000 -4.466) 4.472 2.442 ( -3.002 0.000 0.995) 3.163 2.526 ( -5.947 0.000 -0.563) 5.973 2.578 ( -0.879 0.000 1.308) 1.576 2.592 ( -4.215 0.000 3.965) 5.787 2.650 ( -3.901 0.000 2.118) 4.438 2.752 ( -3.622 0.000 2.395) 4.342 2.794 ( -2.481 0.000 3.684) 4.441 2.834 ( -2.059 0.000 1.707) 2.674 2.919 ( -5.843 0.000 -1.009) 5.930 2.956 ( -3.072 0.000 2.496) 3.958 3.007 ( -4.669 0.000 0.354) 4.682 3.008 ( -2.773 0.000 2.401) 3.668 3.375 ( 3.382 0.000 -7.153) 7.912 3.480 ( -0.258 0.000 -3.864) 3.872 3.507 ( 1.226 0.000 -5.895) 6.021 3.714 ( 1.746 0.000 -2.664) 3.186 3.845 ( -0.414 0.000 0.696) 0.810 3.859 ( -2.211 0.000 0.713) 2.323 3.954 ( 0.646 0.000 0.767) 1.003 4.013 ( 2.866 0.000 4.246) 5.122 5.201 ( -2.880 0.000 -0.989) 3.045 5.237 ( -1.901 0.000 2.716) 3.316 5.252 ( -2.916 0.000 -1.714) 3.382 5.268 ( -2.166 0.000 1.888) 2.874 5.945 ( -0.139 0.000 -2.124) 2.128 5.971 ( -0.326 0.000 0.197) 0.381 6.126 ( -2.416 0.000 0.108) 2.419 6.150 ( -0.575 0.000 -0.531) 0.783 6.473 ( -2.658 0.000 0.385) 2.686 6.545 ( -4.178 0.000 -1.536) 4.451 6.554 ( 4.517 0.000 1.291) 4.698 6.578 ( 2.375 0.000 2.420) 3.391 6.708 ( -3.389 0.000 1.525) 3.717 6.727 ( 2.623 0.000 -1.569) 3.056 6.746 ( 0.913 0.000 0.363) 0.983 6.837 ( 2.849 0.000 -3.933) 4.857 7.228 ( 2.237 0.000 0.713) 2.348 7.295 ( 4.462 0.000 -1.028) 4.578 7.357 ( 0.404 0.000 2.273) 2.309 7.422 ( 1.343 0.000 -3.094) 3.372 7.711 ( -2.679 0.000 2.138) 3.428 7.728 ( -3.271 0.000 3.065) 4.483 7.887 ( -1.236 0.000 -1.423) 1.885 7.924 ( -2.245 0.000 -1.533) 2.719 ======================= Grid point 5 (6/81) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 7.348 0.000 4.994) 8.884 1.373 ( 5.705 0.000 -7.875) 9.724 1.387 ( 1.894 0.000 -0.456) 1.948 1.518 ( 6.136 0.000 -0.297) 6.144 1.549 ( 3.883 0.000 -4.145) 5.680 1.563 ( 2.312 0.000 -5.724) 6.173 1.665 ( 5.648 0.000 -3.167) 6.475 1.679 ( 3.947 0.000 0.181) 3.951 1.749 ( 2.262 0.000 3.551) 4.210 1.762 ( 1.644 0.000 -1.415) 2.169 1.818 ( 1.834 0.000 4.475) 4.836 1.882 ( 3.408 0.000 -0.369) 3.428 2.076 ( 5.247 0.000 6.284) 8.187 2.143 ( -2.398 0.000 0.017) 2.398 2.179 ( 1.353 0.000 1.043) 1.709 2.232 ( 2.423 0.000 -4.868) 5.437 2.377 ( -4.747 0.000 1.751) 5.060 2.415 ( -5.045 0.000 -0.495) 5.069 2.513 ( -5.786 0.000 0.887) 5.854 2.518 ( -6.643 0.000 1.773) 6.876 2.623 ( -0.579 0.000 2.769) 2.829 2.716 ( -0.848 0.000 -0.324) 0.907 2.787 ( -0.022 0.000 2.237) 2.237 2.811 ( -1.016 0.000 -0.028) 1.017 2.815 ( -4.424 0.000 -0.308) 4.435 2.922 ( -4.063 0.000 -0.292) 4.073 2.924 ( -2.784 0.000 4.168) 5.012 2.980 ( -2.217 0.000 3.374) 4.037 3.403 ( 3.522 0.000 -5.717) 6.714 3.454 ( -0.869 0.000 -0.509) 1.008 3.503 ( 1.490 0.000 -2.474) 2.888 3.713 ( 0.671 0.000 -4.606) 4.655 3.820 ( -1.541 0.000 -1.062) 1.872 3.837 ( -0.674 0.000 1.246) 1.416 3.974 ( 0.586 0.000 1.308) 1.433 4.081 ( 1.919 0.000 2.651) 3.272 5.150 ( -1.913 0.000 -0.630) 2.014 5.192 ( -2.345 0.000 -1.020) 2.558 5.219 ( -1.427 0.000 1.853) 2.338 5.240 ( -1.710 0.000 1.021) 1.992 5.932 ( -0.086 0.000 -1.561) 1.563 5.963 ( -0.653 0.000 0.617) 0.898 6.077 ( -2.184 0.000 -0.960) 2.386 6.134 ( -0.815 0.000 -0.024) 0.815 6.404 ( -3.405 0.000 -0.688) 3.474 6.476 ( -2.570 0.000 -0.560) 2.630 6.564 ( -1.541 0.000 0.335) 1.577 6.617 ( -0.609 0.000 1.870) 1.966 6.725 ( 2.976 0.000 2.588) 3.944 6.773 ( 2.634 0.000 -0.779) 2.747 6.807 ( 3.601 0.000 1.135) 3.776 6.855 ( 1.449 0.000 -3.942) 4.200 7.280 ( 2.580 0.000 1.105) 2.807 7.372 ( 4.160 0.000 -1.637) 4.470 7.373 ( 0.014 0.000 1.515) 1.515 7.428 ( 1.077 0.000 -2.742) 2.946 7.685 ( -1.836 0.000 3.085) 3.590 7.704 ( -1.263 0.000 2.988) 3.244 7.846 ( -1.789 0.000 -1.756) 2.507 7.874 ( -1.841 0.000 -2.011) 2.727 ======================= Grid point 6 (7/81) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.832 0.000 1.983) 2.151 1.407 ( 1.977 0.000 -4.110) 4.561 1.439 ( 2.213 0.000 -0.362) 2.242 1.561 ( 1.620 0.000 -3.548) 3.900 1.571 ( 0.591 0.000 -1.627) 1.731 1.602 ( 1.322 0.000 1.595) 2.072 1.686 ( -1.208 0.000 0.712) 1.402 1.729 ( 2.325 0.000 -1.349) 2.688 1.818 ( 3.481 0.000 1.096) 3.650 1.837 ( 2.606 0.000 3.104) 4.053 1.860 ( 0.733 0.000 1.105) 1.326 1.919 ( 0.064 0.000 -1.010) 1.012 2.131 ( 1.122 0.000 0.162) 1.133 2.179 ( 0.929 0.000 -1.372) 1.657 2.214 ( 4.385 0.000 2.817) 5.212 2.257 ( 2.372 0.000 -2.611) 3.528 2.295 ( -3.879 0.000 0.753) 3.952 2.327 ( -4.040 0.000 -0.711) 4.102 2.394 ( -5.651 0.000 1.265) 5.791 2.416 ( -3.484 0.000 -0.289) 3.496 2.640 ( 0.314 0.000 1.577) 1.608 2.705 ( -0.030 0.000 -0.813) 0.814 2.753 ( -1.751 0.000 -0.150) 1.757 2.796 ( -0.373 0.000 -0.431) 0.570 2.810 ( 0.771 0.000 1.570) 1.749 2.859 ( -2.010 0.000 -0.681) 2.122 2.899 ( -1.431 0.000 1.418) 2.014 2.963 ( -1.070 0.000 1.502) 1.844 3.420 ( 1.095 0.000 -3.212) 3.393 3.450 ( 0.047 0.000 1.455) 1.456 3.526 ( 1.053 0.000 0.170) 1.067 3.696 ( 0.113 0.000 -2.348) 2.351 3.789 ( -0.770 0.000 -0.700) 1.041 3.840 ( 0.012 0.000 0.674) 0.674 3.988 ( 0.199 0.000 0.493) 0.532 4.117 ( 0.667 0.000 0.899) 1.119 5.123 ( -0.657 0.000 -0.181) 0.681 5.156 ( -0.908 0.000 -0.348) 0.972 5.209 ( -0.422 0.000 0.768) 0.877 5.219 ( -0.768 0.000 0.226) 0.800 5.924 ( -0.038 0.000 -0.556) 0.557 5.957 ( -0.280 0.000 0.328) 0.431 6.042 ( -0.866 0.000 -0.496) 0.998 6.123 ( -0.347 0.000 0.132) 0.371 6.355 ( -1.232 0.000 -0.397) 1.294 6.440 ( -0.917 0.000 -0.276) 0.958 6.541 ( -0.719 0.000 0.073) 0.723 6.613 ( -0.351 0.000 0.764) 0.841 6.784 ( 1.429 0.000 1.073) 1.787 6.812 ( 1.314 0.000 0.911) 1.599 6.846 ( -0.057 0.000 -2.695) 2.695 6.863 ( 1.417 0.000 0.529) 1.513 7.332 ( 1.929 0.000 0.907) 2.132 7.373 ( -0.674 0.000 0.306) 0.740 7.420 ( 1.540 0.000 -0.620) 1.660 7.429 ( 0.417 0.000 -1.397) 1.458 7.678 ( -0.586 0.000 1.532) 1.640 7.706 ( -0.171 0.000 1.243) 1.255 7.810 ( -0.849 0.000 -0.891) 1.231 7.837 ( -0.833 0.000 -0.973) 1.281 ======================= Grid point 13 (8/81) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.180 ( 0.000 8.487 0.000) 8.487 0.299 ( 0.000 14.139 0.000) 14.139 0.498 ( 0.000 17.341 0.000) 17.341 0.554 ( 0.000 4.191 0.000) 4.191 0.869 ( 0.000 -2.054 0.000) 2.054 1.062 ( 0.000 2.199 0.000) 2.199 1.320 ( 0.000 -4.331 0.000) 4.331 1.443 ( 0.000 0.162 0.000) 0.162 1.451 ( 0.000 -0.085 0.000) 0.085 1.495 ( 0.000 -2.242 0.000) 2.242 1.539 ( 0.000 -6.321 0.000) 6.321 1.573 ( 0.000 -3.053 0.000) 3.053 1.966 ( 0.000 1.191 0.000) 1.191 1.977 ( 0.000 0.859 0.000) 0.859 2.025 ( 0.000 2.590 0.000) 2.590 2.204 ( 0.000 -2.597 0.000) 2.597 2.647 ( 0.000 -0.378 0.000) 0.378 2.672 ( 0.000 -0.462 0.000) 0.462 2.730 ( 0.000 0.522 0.000) 0.522 2.751 ( 0.000 1.885 0.000) 1.885 2.882 ( 0.000 -1.373 0.000) 1.373 2.891 ( 0.000 -2.434 0.000) 2.434 2.922 ( 0.000 -0.209 0.000) 0.209 2.973 ( 0.000 -2.259 0.000) 2.259 3.082 ( 0.000 3.318 0.000) 3.318 3.112 ( 0.000 1.432 0.000) 1.432 3.159 ( 0.000 2.674 0.000) 2.674 3.191 ( 0.000 0.654 0.000) 0.654 3.415 ( 0.000 -0.744 0.000) 0.744 3.417 ( 0.000 -0.648 0.000) 0.648 3.434 ( 0.000 -0.798 0.000) 0.798 3.441 ( 0.000 -1.079 0.000) 1.079 3.542 ( 0.000 1.504 0.000) 1.504 3.723 ( 0.000 -2.629 0.000) 2.629 3.962 ( 0.000 0.630 0.000) 0.630 3.998 ( 0.000 -0.178 0.000) 0.178 5.251 ( 0.000 0.385 0.000) 0.385 5.286 ( 0.000 -0.413 0.000) 0.413 5.375 ( 0.000 0.185 0.000) 0.185 5.434 ( 0.000 -1.147 0.000) 1.147 5.802 ( 0.000 0.545 0.000) 0.545 5.832 ( 0.000 -0.104 0.000) 0.104 5.995 ( 0.000 1.496 0.000) 1.496 6.053 ( 0.000 0.234 0.000) 0.234 6.229 ( 0.000 0.400 0.000) 0.400 6.280 ( 0.000 -1.333 0.000) 1.333 6.319 ( 0.000 -0.182 0.000) 0.182 6.337 ( 0.000 -0.004 0.000) 0.004 6.932 ( 0.000 0.046 0.000) 0.046 6.980 ( 0.000 0.335 0.000) 0.335 6.991 ( 0.000 -1.396 0.000) 1.396 7.017 ( 0.000 -0.185 0.000) 0.185 7.197 ( 0.000 3.169 0.000) 3.169 7.236 ( 0.000 1.135 0.000) 1.135 7.282 ( 0.000 -0.545 0.000) 0.545 7.427 ( 0.000 -1.519 0.000) 1.519 7.888 ( 0.000 -1.949 0.000) 1.949 7.894 ( 0.000 -1.322 0.000) 1.322 8.000 ( 0.000 1.609 0.000) 1.609 8.046 ( 0.000 -0.149 0.000) 0.149 ======================= Grid point 14 (9/81) ======================= q-point: ( 0.08 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 15.485 6.033 -1.602) 16.696 0.452 ( 8.589 13.262 0.241) 15.802 0.659 ( 10.162 8.953 13.267) 18.959 0.688 ( 15.950 1.505 1.983) 16.143 0.935 ( 5.504 -1.322 4.816) 7.432 1.145 ( 6.588 1.741 4.387) 8.104 1.316 ( 1.983 -4.732 -5.554) 7.561 1.417 ( 0.170 1.173 -4.729) 4.875 1.476 ( 1.790 0.344 -4.240) 4.616 1.502 ( 0.677 -4.606 1.159) 4.797 1.559 ( 1.735 -2.879 1.128) 3.545 1.616 ( 3.059 -4.124 7.283) 8.911 1.903 ( -2.153 2.400 -7.398) 8.070 1.989 ( 0.528 0.274 -0.083) 0.601 2.085 ( 3.681 0.779 2.503) 4.519 2.200 ( 0.516 -2.300 -1.902) 3.029 2.654 ( -0.874 0.255 -0.576) 1.077 2.669 ( -3.496 0.518 0.036) 3.534 2.729 ( -1.822 0.016 -3.018) 3.525 2.772 ( -0.465 -3.628 5.552) 6.648 2.852 ( -0.926 -1.040 -2.639) 2.984 2.875 ( -2.777 -1.447 2.891) 4.262 2.902 ( -1.059 -0.014 -3.039) 3.219 2.996 ( 0.698 -1.939 -2.160) 2.985 3.041 ( -0.738 1.359 -2.770) 3.172 3.127 ( -0.327 1.158 1.310) 1.779 3.145 ( -0.623 2.448 0.196) 2.534 3.197 ( 0.319 0.768 -2.385) 2.526 3.400 ( -0.677 0.021 -1.379) 1.537 3.441 ( 3.101 -0.754 -1.100) 3.376 3.463 ( 3.283 -0.971 -3.113) 4.627 3.510 ( 4.019 -2.262 0.867) 4.693 3.580 ( 2.713 1.965 4.023) 5.235 3.758 ( 1.795 -2.323 5.043) 5.836 3.956 ( -1.081 0.513 0.430) 1.271 3.993 ( -0.214 -0.295 -1.179) 1.234 5.269 ( -1.666 -0.137 5.889) 6.122 5.294 ( -0.511 -0.544 3.648) 3.724 5.363 ( -1.297 0.233 0.212) 1.335 5.417 ( -1.195 -0.995 -1.623) 2.248 5.873 ( 4.136 0.243 -0.764) 4.213 5.976 ( 4.260 -2.260 -3.004) 5.681 6.020 ( 4.830 -0.987 -1.647) 5.198 6.078 ( 2.416 0.113 -0.639) 2.502 6.290 ( 2.258 -1.379 0.121) 2.649 6.329 ( 0.592 -0.467 1.396) 1.587 6.344 ( 2.015 0.198 -1.932) 2.798 6.394 ( 8.669 -8.128 8.964) 14.885 6.900 ( -3.145 0.340 -0.527) 3.207 6.950 ( -2.913 -0.409 -0.573) 2.997 6.965 ( -2.680 -0.864 -0.517) 2.863 6.983 ( -3.360 -0.224 -0.248) 3.377 7.202 ( 0.379 2.663 0.101) 2.692 7.206 ( -1.341 2.900 -1.050) 3.363 7.287 ( 0.015 -0.570 1.338) 1.454 7.422 ( -0.116 -1.540 -1.163) 1.934 7.862 ( -1.969 -1.359 -0.257) 2.406 7.874 ( -1.938 -1.226 -0.311) 2.314 7.965 ( -1.854 3.125 -0.254) 3.642 8.037 ( -0.962 -0.173 0.177) 0.994 ======================= Grid point 15 (10/81) ======================= q-point: ( 0.15 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 8.008 11.068 4.836) 14.492 0.726 ( 18.799 3.702 -4.218) 19.619 0.927 ( 14.615 -0.565 -1.771) 14.733 1.065 ( 12.609 3.365 13.892) 19.061 1.141 ( 12.402 -0.977 8.809) 15.244 1.326 ( 2.822 -5.271 -6.093) 8.536 1.335 ( 8.870 0.664 4.714) 10.066 1.417 ( 4.833 2.898 -5.128) 7.619 1.466 ( 1.056 -0.235 -2.983) 3.173 1.541 ( 3.357 -1.458 -2.842) 4.634 1.618 ( 2.929 -1.717 1.821) 3.853 1.762 ( 5.778 -4.838 10.109) 12.609 1.826 ( -0.820 2.357 -7.412) 7.821 1.967 ( -1.740 -0.108 -3.115) 3.570 2.161 ( 3.205 -0.540 -1.432) 3.551 2.218 ( 2.347 -1.585 -0.095) 2.834 2.565 ( -4.167 0.010 -2.073) 4.655 2.647 ( -3.733 -1.045 -3.893) 5.494 2.656 ( -2.279 0.650 2.674) 3.573 2.741 ( -5.366 -1.250 6.212) 8.304 2.806 ( -3.110 -0.454 -1.482) 3.475 2.836 ( -2.435 -0.194 2.040) 3.183 2.865 ( -2.155 0.936 1.342) 2.706 2.944 ( -3.127 0.097 -1.957) 3.690 3.034 ( 0.165 -0.918 -3.018) 3.159 3.101 ( -2.029 0.379 -1.350) 2.467 3.127 ( -2.433 1.728 1.183) 3.210 3.165 ( -2.441 0.471 -1.024) 2.689 3.382 ( 1.155 0.859 -5.445) 5.632 3.492 ( 2.781 -0.878 -4.340) 5.229 3.498 ( 3.332 -0.116 -4.139) 5.315 3.595 ( 3.899 -1.802 2.093) 4.778 3.687 ( 4.320 1.627 7.105) 8.473 3.834 ( 2.201 -1.940 5.539) 6.267 3.934 ( -1.681 0.805 1.971) 2.713 3.975 ( -0.520 -0.359 -2.392) 2.474 5.267 ( -1.622 0.169 3.858) 4.189 5.300 ( -1.411 -0.555 3.892) 4.177 5.328 ( -2.482 0.364 0.013) 2.509 5.373 ( -2.024 -0.700 -2.456) 3.259 5.945 ( 3.387 0.789 -1.120) 3.654 5.989 ( 0.146 1.138 -1.125) 1.606 6.096 ( 3.379 -1.630 -0.998) 3.882 6.123 ( 1.344 -0.524 2.388) 2.790 6.352 ( 3.315 -0.311 0.258) 3.340 6.355 ( 3.512 -0.819 -0.542) 3.647 6.406 ( 5.452 0.911 -1.352) 5.690 6.567 ( 5.624 -5.310 2.928) 8.270 6.812 ( -5.323 0.717 -0.901) 5.446 6.870 ( -4.525 -0.759 -1.166) 4.734 6.887 ( -4.777 -0.505 -1.023) 4.912 6.897 ( -5.293 -0.313 -0.111) 5.304 7.189 ( 0.129 2.180 -0.194) 2.192 7.219 ( 1.241 2.637 -0.162) 2.919 7.301 ( 0.346 -0.693 2.029) 2.171 7.411 ( 0.158 -1.491 -2.054) 2.543 7.816 ( -2.907 -1.107 -0.386) 3.135 7.825 ( -3.090 -1.371 0.622) 3.437 7.940 ( -0.829 2.488 -0.020) 2.623 8.013 ( -1.614 -0.097 0.062) 1.618 ======================= Grid point 16 (11/81) ======================= q-point: ( 0.23 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 10.878 5.898 7.148) 14.291 1.045 ( 16.299 2.527 -1.823) 16.594 1.175 ( 13.318 -0.418 -4.535) 14.076 1.302 ( 7.224 -0.007 1.071) 7.303 1.348 ( 3.388 -3.923 -0.475) 5.205 1.402 ( 8.603 -0.424 0.661) 8.639 1.443 ( 6.628 1.540 -5.339) 8.649 1.525 ( 6.309 0.698 2.437) 6.799 1.585 ( 4.519 -1.324 -6.149) 7.745 1.633 ( 8.991 0.155 6.681) 11.203 1.691 ( 5.085 0.567 6.078) 7.944 1.786 ( 0.746 1.947 -5.409) 5.797 1.872 ( -1.320 -1.044 -1.103) 2.012 1.962 ( 4.202 -2.390 7.225) 8.693 2.189 ( 2.067 -0.705 -4.233) 4.763 2.258 ( 0.741 -1.263 -0.245) 1.485 2.482 ( -3.613 -0.433 -0.576) 3.684 2.568 ( -1.976 -1.650 -1.790) 3.135 2.616 ( -3.821 0.385 3.168) 4.979 2.666 ( -5.669 -0.268 4.149) 7.030 2.726 ( -4.581 0.386 0.296) 4.607 2.796 ( -3.702 -0.706 2.850) 4.725 2.831 ( -3.146 0.802 3.698) 4.921 2.880 ( -2.968 0.201 0.500) 3.016 2.999 ( -2.082 -0.494 -1.372) 2.541 3.035 ( -4.541 0.207 -0.546) 4.578 3.074 ( -3.359 1.472 1.313) 3.896 3.097 ( -4.273 0.468 0.024) 4.298 3.379 ( 2.737 1.273 -7.616) 8.192 3.491 ( 1.171 -1.272 -5.772) 6.025 3.532 ( 2.570 1.862 -5.002) 5.924 3.671 ( 3.288 -0.957 -0.177) 3.429 3.794 ( 2.100 -0.413 4.443) 4.931 3.889 ( 0.005 -1.309 4.193) 4.393 3.927 ( 0.099 0.308 0.754) 0.821 3.959 ( 0.416 0.276 0.760) 0.909 5.255 ( -1.908 0.143 2.655) 3.272 5.272 ( -2.969 0.536 -0.241) 3.027 5.289 ( -2.030 -0.485 2.768) 3.467 5.314 ( -2.657 -0.438 -2.033) 3.375 5.977 ( -0.143 1.394 -1.345) 1.943 5.981 ( 0.895 1.200 -1.023) 1.813 6.132 ( 0.964 -1.773 -0.519) 2.084 6.139 ( -1.198 -1.516 1.869) 2.688 6.428 ( 5.177 -0.291 0.603) 5.220 6.457 ( 5.635 -0.353 1.068) 5.746 6.507 ( 4.434 1.560 -0.264) 4.708 6.628 ( -1.380 -1.286 -1.527) 2.427 6.726 ( -1.565 0.790 -0.054) 1.754 6.782 ( -4.155 -0.251 -0.331) 4.175 6.791 ( -5.297 -0.399 0.357) 5.324 6.808 ( -0.762 -1.138 -2.796) 3.113 7.203 ( 1.250 1.465 0.317) 1.952 7.251 ( 2.408 1.933 -0.354) 3.108 7.324 ( 0.635 -0.738 2.220) 2.424 7.407 ( 0.948 -1.229 -2.513) 2.953 7.754 ( -3.332 -0.640 0.588) 3.443 7.768 ( -3.576 -1.161 1.723) 4.136 7.926 ( -0.687 1.619 -0.489) 1.825 7.977 ( -2.042 0.182 -0.551) 2.123 ======================= Grid point 17 (12/81) ======================= q-point: ( 0.31 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 10.862 1.981 7.393) 13.287 1.291 ( 9.858 2.121 -3.121) 10.555 1.334 ( 3.167 -3.330 -1.553) 4.851 1.380 ( 9.414 0.320 -5.205) 10.762 1.458 ( 6.961 0.425 -4.640) 8.376 1.534 ( 7.669 0.341 -5.445) 9.411 1.561 ( 5.887 0.438 2.865) 6.562 1.608 ( 3.546 0.038 -8.009) 8.759 1.674 ( 5.741 -1.040 -0.403) 5.848 1.719 ( 2.319 -1.234 4.971) 5.622 1.777 ( 1.077 1.574 -3.039) 3.587 1.831 ( 0.705 -0.282 0.516) 0.918 1.931 ( 6.295 1.460 10.334) 12.189 2.081 ( 3.315 -2.590 4.453) 6.126 2.193 ( 0.694 -0.308 -2.411) 2.528 2.242 ( -0.677 0.377 -2.087) 2.227 2.422 ( -2.952 -1.088 0.462) 3.179 2.524 ( -4.616 -0.675 0.285) 4.674 2.559 ( -2.361 -0.953 1.160) 2.798 2.595 ( -4.263 -0.163 3.484) 5.508 2.649 ( -3.992 0.121 2.092) 4.508 2.736 ( -3.750 -1.506 2.233) 4.617 2.793 ( -3.354 0.470 4.283) 5.460 2.839 ( -1.845 -0.057 0.611) 1.944 2.926 ( -5.443 0.776 -0.632) 5.534 2.963 ( -2.580 0.586 3.206) 4.156 3.003 ( -5.099 0.181 0.290) 5.110 3.029 ( -3.019 0.811 1.893) 3.655 3.390 ( 3.252 1.340 -6.942) 7.782 3.473 ( 0.340 -0.629 -4.416) 4.473 3.533 ( 1.290 2.465 -5.593) 6.247 3.709 ( 1.745 -0.836 -3.635) 4.118 3.814 ( -0.691 -0.888 1.334) 1.745 3.895 ( -1.244 1.467 2.414) 3.087 3.939 ( 1.019 -0.985 0.125) 1.423 4.008 ( 2.176 -0.562 3.887) 4.490 5.206 ( -2.815 0.455 -1.020) 3.028 5.239 ( -2.036 0.168 2.210) 3.010 5.248 ( -2.746 -0.346 -1.149) 2.996 5.265 ( -2.193 -0.279 1.853) 2.885 5.959 ( -0.315 1.349 -1.979) 2.416 5.985 ( -0.221 1.336 0.183) 1.367 6.109 ( -2.218 -1.668 -0.311) 2.793 6.132 ( -0.473 -1.697 -0.383) 1.803 6.478 ( -2.382 0.499 0.456) 2.476 6.539 ( -3.766 -0.628 -1.023) 3.952 6.560 ( 3.493 0.514 1.158) 3.716 6.576 ( 2.535 -0.083 2.197) 3.355 6.706 ( -2.705 0.034 1.212) 2.964 6.729 ( 0.418 -0.074 -0.570) 0.710 6.756 ( 2.822 1.069 -0.743) 3.108 6.830 ( 3.301 -0.700 -3.708) 5.013 7.237 ( 1.908 0.860 0.732) 2.217 7.306 ( 3.437 0.669 -0.650) 3.561 7.350 ( 1.032 -0.306 1.524) 1.866 7.416 ( 1.695 -0.583 -2.657) 3.205 7.705 ( -2.645 -0.481 2.109) 3.416 7.718 ( -3.012 -0.785 2.841) 4.215 7.901 ( -1.420 1.166 -1.291) 2.245 7.930 ( -2.135 0.488 -1.409) 2.604 ======================= Grid point 18 (13/81) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 6.921 -0.486 4.113) 8.065 1.358 ( 1.991 -1.575 0.000) 2.539 1.405 ( 5.295 1.726 -5.994) 8.182 1.517 ( 5.597 -0.531 -3.795) 6.783 1.533 ( 4.185 -0.075 -3.300) 5.330 1.599 ( 2.326 2.319 -3.806) 5.027 1.641 ( 4.053 -1.768 -2.787) 5.227 1.691 ( 5.234 0.599 -0.270) 5.275 1.722 ( 0.648 -1.430 0.324) 1.603 1.779 ( 0.032 -1.813 3.065) 3.562 1.810 ( 4.275 1.543 0.764) 4.608 1.883 ( 3.512 -0.071 1.522) 3.828 2.065 ( 4.322 -0.602 3.377) 5.518 2.137 ( 1.152 -0.702 1.082) 1.729 2.199 ( 0.442 1.111 1.302) 1.768 2.233 ( 1.523 0.594 -2.962) 3.383 2.361 ( -4.329 -0.934 1.188) 4.585 2.424 ( -5.085 0.807 -0.225) 5.154 2.487 ( -6.182 -1.725 1.069) 6.507 2.525 ( -5.270 -0.256 1.325) 5.440 2.617 ( -1.040 -0.388 2.257) 2.515 2.695 ( -1.506 -2.017 0.168) 2.523 2.769 ( -1.202 -0.504 2.736) 3.030 2.813 ( -1.134 0.090 -1.073) 1.564 2.836 ( -3.520 1.284 1.210) 3.938 2.909 ( -4.330 -0.529 -0.555) 4.397 2.947 ( -2.062 1.211 4.348) 4.963 2.991 ( -2.477 0.633 2.711) 3.727 3.415 ( 3.172 1.001 -5.344) 6.294 3.455 ( -0.249 0.045 -1.349) 1.373 3.529 ( 1.319 2.338 -2.611) 3.744 3.693 ( -0.047 -1.745 -5.216) 5.500 3.819 ( 0.455 0.832 1.104) 1.455 3.877 ( -1.413 2.621 0.631) 3.044 3.963 ( 0.808 -0.974 1.143) 1.705 4.066 ( 1.672 -1.431 2.485) 3.320 5.154 ( -1.945 0.431 -0.667) 2.101 5.189 ( -2.285 -0.324 -0.984) 2.509 5.220 ( -1.484 0.150 1.766) 2.312 5.237 ( -1.712 -0.245 1.091) 2.045 5.943 ( -0.297 1.072 -1.484) 1.854 5.980 ( -0.508 1.510 0.566) 1.691 6.062 ( -1.994 -1.418 -1.078) 2.673 6.118 ( -0.702 -1.464 0.090) 1.626 6.410 ( -3.377 0.536 -0.741) 3.499 6.468 ( -2.774 -0.742 -0.705) 2.957 6.569 ( -1.439 0.485 0.666) 1.658 6.612 ( -0.840 -0.503 1.952) 2.183 6.735 ( 3.357 0.872 2.562) 4.312 6.774 ( 3.014 0.002 0.016) 3.014 6.814 ( 3.140 0.668 -0.128) 3.212 6.855 ( 1.690 -0.079 -3.783) 4.144 7.283 ( 2.289 0.324 1.115) 2.567 7.350 ( 1.008 -1.325 0.632) 1.781 7.392 ( 3.021 1.090 -1.059) 3.381 7.431 ( 1.403 0.212 -2.473) 2.851 7.679 ( -1.766 -0.441 2.882) 3.409 7.694 ( -1.354 -0.774 2.814) 3.217 7.860 ( -1.752 1.169 -1.538) 2.608 7.882 ( -1.795 0.683 -1.746) 2.596 ======================= Grid point 19 (14/81) ======================= q-point: ( 0.46 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 1.558 -0.255 1.110) 1.930 1.396 ( 1.536 -0.786 -0.923) 1.957 1.448 ( 1.817 0.790 -1.962) 2.788 1.545 ( 0.922 -1.474 -2.879) 3.364 1.577 ( 1.970 0.605 -2.070) 2.921 1.613 ( -0.328 1.122 1.237) 1.702 1.669 ( 0.337 -1.358 0.512) 1.490 1.734 ( 1.434 -0.746 -1.804) 2.423 1.756 ( 1.002 -2.726 1.408) 3.227 1.805 ( 0.884 -3.004 1.634) 3.532 1.899 ( 3.491 2.460 0.290) 4.281 1.946 ( 1.387 1.548 0.959) 2.289 2.130 ( 2.663 0.173 -0.991) 2.846 2.189 ( 0.819 0.455 -0.147) 0.948 2.215 ( 3.262 0.251 0.863) 3.383 2.262 ( 2.042 0.482 -1.274) 2.455 2.278 ( -4.566 -1.228 1.804) 5.060 2.334 ( -4.022 0.949 -0.872) 4.223 2.388 ( -3.199 -0.982 1.418) 3.634 2.422 ( -4.845 0.555 -0.630) 4.917 2.619 ( -0.094 -1.445 1.018) 1.771 2.675 ( -0.459 -2.320 -0.767) 2.486 2.774 ( -0.306 -0.316 1.930) 1.979 2.782 ( -0.456 0.937 -0.892) 1.372 2.809 ( -0.893 -0.438 0.745) 1.243 2.847 ( -1.468 -0.265 -0.744) 1.667 2.932 ( -1.122 1.933 1.400) 2.637 2.970 ( -1.046 0.465 1.346) 1.767 3.431 ( 1.058 0.884 -2.810) 3.130 3.454 ( 0.178 0.262 0.816) 0.875 3.548 ( 0.999 1.900 0.206) 2.156 3.661 ( -0.381 -2.124 -2.691) 3.449 3.838 ( 0.965 2.271 0.107) 2.469 3.856 ( -1.114 2.574 0.405) 2.834 3.979 ( 0.286 -0.771 0.458) 0.941 4.099 ( 0.613 -1.742 0.847) 2.032 5.127 ( -0.680 0.353 -0.197) 0.791 5.153 ( -0.881 -0.238 -0.340) 0.974 5.209 ( -0.469 0.019 0.719) 0.858 5.217 ( -0.751 -0.187 0.274) 0.821 5.932 ( -0.147 0.823 -0.514) 0.982 5.976 ( -0.185 1.692 0.291) 1.727 6.029 ( -0.813 -1.235 -0.506) 1.563 6.109 ( -0.289 -1.278 0.175) 1.322 6.361 ( -1.221 0.559 -0.419) 1.406 6.428 ( -0.991 -1.015 -0.343) 1.460 6.549 ( -0.685 0.704 0.185) 1.000 6.606 ( -0.396 -0.659 0.776) 1.092 6.799 ( 1.541 1.310 1.242) 2.373 6.816 ( 1.302 0.379 0.829) 1.590 6.846 ( 0.115 0.035 -2.368) 2.371 6.865 ( 1.282 0.104 0.020) 1.286 7.330 ( 1.727 -0.151 0.863) 1.937 7.360 ( -0.313 -1.010 0.351) 1.114 7.429 ( 1.226 0.708 -0.598) 1.537 7.437 ( 0.553 0.626 -1.483) 1.703 7.671 ( -0.602 -0.474 1.382) 1.580 7.694 ( -0.262 -1.009 1.121) 1.531 7.827 ( -0.793 1.344 -0.723) 1.720 7.848 ( -0.777 0.876 -0.784) 1.409 ======================= Grid point 26 (15/81) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 0.000 7.080 0.000) 7.080 0.465 ( 0.000 -4.780 0.000) 4.780 0.569 ( 0.000 11.868 0.000) 11.868 0.767 ( 0.000 -6.679 0.000) 6.679 0.978 ( 0.000 19.251 0.000) 19.251 1.129 ( 0.000 4.081 0.000) 4.081 1.230 ( 0.000 -4.482 0.000) 4.482 1.329 ( 0.000 -13.378 0.000) 13.378 1.421 ( 0.000 -0.497 0.000) 0.497 1.443 ( 0.000 -1.548 0.000) 1.548 1.485 ( 0.000 0.623 0.000) 0.623 1.510 ( 0.000 -2.280 0.000) 2.280 1.990 ( 0.000 0.835 0.000) 0.835 1.994 ( 0.000 0.463 0.000) 0.463 2.083 ( 0.000 2.856 0.000) 2.856 2.143 ( 0.000 -3.036 0.000) 3.036 2.647 ( 0.000 0.403 0.000) 0.403 2.659 ( 0.000 -0.681 0.000) 0.681 2.753 ( 0.000 1.632 0.000) 1.632 2.779 ( 0.000 0.124 0.000) 0.124 2.842 ( 0.000 -1.209 0.000) 1.209 2.853 ( 0.000 -1.392 0.000) 1.392 2.923 ( 0.000 0.435 0.000) 0.435 2.940 ( 0.000 -1.157 0.000) 1.157 3.142 ( 0.000 1.844 0.000) 1.844 3.143 ( 0.000 1.356 0.000) 1.356 3.197 ( 0.000 0.794 0.000) 0.794 3.201 ( 0.000 0.156 0.000) 0.156 3.402 ( 0.000 -0.481 0.000) 0.481 3.403 ( 0.000 -0.479 0.000) 0.479 3.416 ( 0.000 -0.584 0.000) 0.584 3.419 ( 0.000 -0.797 0.000) 0.797 3.589 ( 0.000 2.940 0.000) 2.940 3.657 ( 0.000 -3.498 0.000) 3.498 3.977 ( 0.000 0.744 0.000) 0.744 3.991 ( 0.000 -0.546 0.000) 0.546 5.261 ( 0.000 0.629 0.000) 0.629 5.275 ( 0.000 -0.651 0.000) 0.651 5.384 ( 0.000 0.777 0.000) 0.777 5.407 ( 0.000 -1.350 0.000) 1.350 5.815 ( 0.000 0.682 0.000) 0.682 5.827 ( 0.000 -0.420 0.000) 0.420 6.030 ( 0.000 1.636 0.000) 1.636 6.053 ( 0.000 -0.490 0.000) 0.490 6.240 ( 0.000 0.630 0.000) 0.630 6.256 ( 0.000 -0.939 0.000) 0.939 6.318 ( 0.000 0.211 0.000) 0.211 6.328 ( 0.000 -0.675 0.000) 0.675 6.937 ( 0.000 0.628 0.000) 0.628 6.960 ( 0.000 -1.503 0.000) 1.503 6.994 ( 0.000 0.826 0.000) 0.826 7.009 ( 0.000 -0.608 0.000) 0.608 7.242 ( 0.000 1.291 0.000) 1.291 7.266 ( 0.000 -0.994 0.000) 0.994 7.297 ( 0.000 4.267 0.000) 4.267 7.377 ( 0.000 -3.281 0.000) 3.281 7.860 ( 0.000 -0.549 0.000) 0.549 7.867 ( 0.000 -1.058 0.000) 1.058 8.026 ( 0.000 0.936 0.000) 0.936 8.040 ( 0.000 -0.438 0.000) 0.438 ======================= Grid point 27 (16/81) ======================= q-point: ( 0.08 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 14.870 5.872 -2.138) 16.130 0.615 ( 13.628 -4.105 -1.705) 14.335 0.693 ( 8.237 9.888 7.835) 15.067 0.852 ( 6.744 -4.459 6.364) 10.289 0.990 ( 2.609 13.274 1.918) 13.663 1.194 ( 2.213 -3.311 -1.010) 4.108 1.224 ( 4.397 1.888 0.733) 4.841 1.368 ( 1.412 -8.056 5.097) 9.637 1.439 ( 2.167 0.808 -3.134) 3.895 1.466 ( 3.564 -1.920 -1.860) 4.455 1.506 ( 2.415 -0.413 0.259) 2.464 1.533 ( 2.007 -3.076 2.665) 4.538 1.955 ( -1.532 2.260 -5.578) 6.210 1.986 ( -0.462 -0.727 -2.046) 2.220 2.108 ( 2.217 1.453 0.883) 2.794 2.148 ( 1.145 -2.436 -0.860) 2.825 2.672 ( 1.013 1.327 1.503) 2.246 2.687 ( -5.005 1.319 -1.081) 5.288 2.705 ( -0.132 -1.692 3.367) 3.770 2.725 ( -2.305 -1.634 -3.774) 4.715 2.834 ( -0.600 -0.450 -0.908) 1.178 2.841 ( -0.752 -1.132 1.178) 1.798 2.919 ( -0.680 1.374 -1.120) 1.899 2.953 ( 0.204 -1.934 -1.028) 2.200 3.089 ( -1.644 2.658 -3.320) 4.560 3.132 ( -1.131 -1.086 -2.445) 2.905 3.190 ( -1.082 1.669 1.313) 2.383 3.207 ( -0.781 0.022 0.193) 0.805 3.406 ( 1.020 0.771 -2.680) 2.970 3.432 ( 2.495 -1.487 -2.732) 3.988 3.440 ( 3.281 0.523 0.263) 3.332 3.466 ( 3.702 -1.849 1.508) 4.405 3.633 ( 2.725 3.051 4.987) 6.450 3.699 ( 2.369 -3.237 5.156) 6.533 3.969 ( -0.771 0.727 -0.187) 1.076 3.984 ( -0.499 -0.630 -0.830) 1.155 5.271 ( -0.733 0.363 3.789) 3.876 5.282 ( -0.416 -0.602 2.911) 3.001 5.373 ( -1.140 0.733 -0.180) 1.367 5.393 ( -1.117 -1.196 -0.878) 1.857 5.883 ( 5.304 0.839 -0.800) 5.429 5.913 ( 7.442 -2.283 -1.468) 7.922 6.045 ( 1.206 1.798 0.702) 2.276 6.073 ( 1.601 -0.782 0.631) 1.890 6.277 ( 2.649 0.188 1.125) 2.884 6.297 ( 3.042 -1.817 3.278) 4.827 6.335 ( 2.936 -0.091 -0.250) 2.948 6.340 ( 2.376 -0.447 -1.243) 2.718 6.910 ( -2.751 0.686 -0.421) 2.866 6.931 ( -2.878 -1.249 -0.447) 3.169 6.963 ( -3.011 0.526 -0.362) 3.078 6.975 ( -3.287 -0.537 -0.410) 3.355 7.239 ( -0.485 1.489 0.423) 1.622 7.265 ( -0.430 -0.664 1.039) 1.306 7.294 ( 0.173 3.869 -0.822) 3.959 7.372 ( -0.102 -3.251 -1.068) 3.424 7.842 ( -1.796 -0.391 -0.079) 1.840 7.849 ( -1.804 -0.990 -0.147) 2.063 8.010 ( -1.335 1.419 -0.250) 1.964 8.030 ( -0.995 -0.595 -0.040) 1.160 ======================= Grid point 28 (17/81) ======================= q-point: ( 0.15 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 13.296 5.807 -0.329) 14.513 0.833 ( 11.108 5.112 -3.908) 12.837 0.915 ( 13.391 2.523 0.071) 13.627 1.074 ( 9.329 -6.754 6.796) 13.373 1.144 ( 8.849 3.693 8.371) 12.729 1.218 ( 4.889 -4.239 -1.854) 6.731 1.380 ( 6.844 3.197 3.960) 8.528 1.435 ( 3.170 -2.050 2.781) 4.689 1.482 ( 5.889 2.853 -3.970) 7.654 1.520 ( 4.640 -1.010 -5.911) 7.582 1.583 ( 4.301 -0.285 3.334) 5.450 1.649 ( 6.313 -5.478 8.687) 12.055 1.887 ( -1.310 3.196 -6.381) 7.256 1.944 ( -1.597 -2.144 -4.172) 4.955 2.157 ( 2.703 0.459 -1.524) 3.137 2.181 ( 2.581 -1.728 -0.399) 3.131 2.580 ( -4.634 1.444 -2.067) 5.276 2.616 ( -4.499 -1.851 -2.710) 5.569 2.678 ( -2.672 1.399 3.475) 4.602 2.710 ( -3.687 -1.655 4.633) 6.148 2.807 ( -2.325 0.589 0.283) 2.415 2.824 ( -2.288 -0.868 2.054) 3.195 2.890 ( -1.449 1.509 -0.865) 2.264 2.925 ( -1.728 -1.737 -2.394) 3.425 3.047 ( -1.316 1.960 -2.286) 3.286 3.089 ( -1.986 -1.632 -2.337) 3.474 3.159 ( -3.021 1.199 1.335) 3.514 3.172 ( -3.002 -0.041 0.490) 3.042 3.409 ( 2.153 1.808 -6.109) 6.725 3.452 ( 2.582 -2.245 -6.038) 6.940 3.518 ( 4.185 1.527 0.140) 4.457 3.555 ( 4.222 -1.939 2.009) 5.062 3.730 ( 3.279 2.518 5.833) 7.149 3.786 ( 2.645 -2.679 5.355) 6.546 3.950 ( -1.179 0.724 0.686) 1.545 3.964 ( -0.797 -0.628 -0.924) 1.373 5.273 ( -1.371 0.507 3.457) 3.753 5.286 ( -1.272 -0.709 3.444) 3.739 5.339 ( -2.199 0.687 -0.510) 2.360 5.356 ( -2.014 -0.905 -1.486) 2.662 5.970 ( 3.744 1.602 -0.805) 4.152 6.001 ( 2.538 -0.730 -0.863) 2.778 6.075 ( 1.376 0.428 0.043) 1.441 6.102 ( 0.420 -1.487 1.259) 1.993 6.343 ( 4.094 -0.112 -0.583) 4.136 6.347 ( 3.386 -0.293 -0.623) 3.455 6.427 ( 6.904 1.337 0.118) 7.033 6.473 ( 7.956 -3.373 2.218) 8.922 6.830 ( -4.871 0.989 -1.022) 5.074 6.852 ( -4.603 -1.061 -1.110) 4.852 6.882 ( -5.066 0.154 -0.373) 5.082 6.889 ( -5.214 -0.448 -0.354) 5.245 7.234 ( -0.233 2.035 0.740) 2.178 7.265 ( -0.169 -0.282 1.234) 1.277 7.300 ( 0.972 2.499 -0.536) 2.734 7.365 ( 0.366 -2.937 -1.696) 3.411 7.798 ( -2.768 -0.393 0.184) 2.802 7.802 ( -2.949 -0.775 0.243) 3.059 7.983 ( -1.247 1.616 -0.208) 2.052 8.006 ( -1.376 -0.664 -0.104) 1.532 ======================= Grid point 29 (18/81) ======================= q-point: ( 0.23 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 7.373 8.486 3.229) 11.696 1.084 ( 13.496 -0.784 -2.200) 13.697 1.159 ( 11.779 -0.557 -2.025) 11.965 1.208 ( 6.836 -5.553 -1.727) 8.975 1.349 ( 8.661 1.996 2.800) 9.318 1.387 ( 8.691 -1.285 1.500) 8.913 1.487 ( 6.084 2.346 -3.957) 7.627 1.527 ( 5.217 -1.153 1.269) 5.492 1.565 ( 5.255 0.588 -6.141) 8.104 1.605 ( 5.093 -2.374 -0.599) 5.651 1.742 ( 7.708 3.769 9.016) 12.446 1.818 ( 3.213 -2.440 2.470) 4.730 1.846 ( 1.486 2.075 -0.776) 2.667 1.907 ( 1.419 -2.905 0.901) 3.356 2.186 ( 1.774 0.734 -2.831) 3.421 2.219 ( 1.452 -2.155 -1.031) 2.796 2.491 ( -3.666 1.340 -0.902) 4.006 2.529 ( -3.016 -2.060 -1.330) 3.887 2.630 ( -4.366 0.973 3.838) 5.894 2.652 ( -5.035 -1.026 4.551) 6.864 2.745 ( -4.474 1.360 0.657) 4.722 2.774 ( -4.307 -1.338 2.014) 4.939 2.852 ( -2.834 1.108 1.790) 3.530 2.873 ( -2.739 -0.848 0.094) 2.869 3.006 ( -2.209 1.066 -0.006) 2.453 3.029 ( -3.437 -0.872 -0.121) 3.548 3.096 ( -4.126 0.637 0.815) 4.254 3.103 ( -4.486 -0.006 0.148) 4.488 3.414 ( 2.744 2.048 -7.249) 8.017 3.457 ( 2.090 -1.992 -6.548) 7.156 3.583 ( 3.170 2.839 -2.835) 5.113 3.638 ( 3.707 -2.268 -0.878) 4.434 3.803 ( 1.022 1.438 3.275) 3.720 3.846 ( 1.057 -2.479 2.870) 3.937 3.943 ( -0.256 0.897 1.663) 1.907 3.958 ( 0.171 -0.450 1.961) 2.019 5.262 ( -1.819 0.537 2.267) 2.956 5.275 ( -1.850 -0.647 2.176) 2.928 5.287 ( -2.824 0.678 -0.209) 2.912 5.302 ( -2.693 -0.715 -1.124) 3.004 6.012 ( 1.108 1.671 -0.239) 2.019 6.015 ( 0.002 1.664 -1.051) 1.968 6.091 ( 0.507 -1.706 -0.719) 1.920 6.098 ( -1.222 -2.081 0.398) 2.446 6.430 ( 5.354 0.456 0.803) 5.433 6.444 ( 5.763 -0.788 1.111) 5.922 6.546 ( 3.778 2.145 -0.432) 4.366 6.591 ( 2.011 -2.150 -0.731) 3.034 6.748 ( -1.219 1.263 -1.121) 2.082 6.773 ( -1.570 -1.076 -1.453) 2.394 6.782 ( -4.966 0.039 0.171) 4.969 6.789 ( -4.264 -0.587 -0.607) 4.346 7.242 ( 0.517 2.040 0.761) 2.238 7.276 ( 0.538 -0.700 1.011) 1.343 7.324 ( 1.796 1.710 -0.229) 2.491 7.370 ( 1.418 -2.225 -1.757) 3.169 7.743 ( -3.147 -0.250 0.937) 3.293 7.748 ( -3.190 -0.677 1.347) 3.529 7.958 ( -1.248 1.308 -0.551) 1.890 7.976 ( -1.639 -0.395 -0.553) 1.775 ======================= Grid point 30 (19/81) ======================= q-point: ( 0.31 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 7.365 4.493 4.734) 9.841 1.236 ( 4.005 -5.637 1.857) 7.160 1.342 ( 9.788 2.403 -3.294) 10.604 1.376 ( 10.055 -0.842 -4.297) 10.967 1.480 ( 6.167 1.693 -4.724) 7.951 1.519 ( 6.358 -1.670 -3.485) 7.440 1.588 ( 6.979 1.681 -3.720) 8.085 1.612 ( 6.103 -0.214 -7.699) 9.827 1.657 ( 4.283 0.083 2.495) 4.957 1.685 ( 2.473 -1.913 3.854) 4.963 1.809 ( 0.507 1.282 -1.343) 1.925 1.825 ( 0.199 -0.411 0.070) 0.462 1.967 ( 5.213 2.156 6.920) 8.928 2.022 ( 4.423 -3.009 4.461) 6.965 2.198 ( 1.126 1.067 -0.947) 1.817 2.230 ( 0.559 -1.532 0.057) 1.632 2.429 ( -2.716 1.846 -0.302) 3.298 2.482 ( -2.203 -2.844 0.132) 3.600 2.561 ( -4.846 0.837 1.778) 5.229 2.582 ( -4.852 -0.997 2.903) 5.742 2.664 ( -4.413 1.338 2.149) 5.088 2.699 ( -4.480 -1.932 2.301) 5.394 2.810 ( -2.942 0.989 2.799) 4.179 2.829 ( -2.124 -0.785 0.979) 2.467 2.950 ( -4.754 1.334 0.551) 4.968 2.969 ( -3.281 -0.306 2.682) 4.249 3.011 ( -4.612 0.735 0.408) 4.688 3.029 ( -3.351 -0.699 1.712) 3.827 3.423 ( 2.684 1.687 -6.387) 7.131 3.454 ( 1.596 -1.230 -5.493) 5.851 3.599 ( 1.306 3.614 -5.076) 6.367 3.669 ( 1.339 -2.959 -4.715) 5.725 3.827 ( 0.469 1.949 2.359) 3.096 3.877 ( 0.652 -2.483 2.676) 3.709 3.954 ( 0.194 1.790 1.368) 2.262 3.988 ( 1.024 -1.399 2.974) 3.443 5.219 ( -2.711 0.742 -1.113) 3.023 5.234 ( -2.688 -0.677 -1.166) 3.007 5.248 ( -2.096 0.398 2.185) 3.054 5.257 ( -2.179 -0.466 1.982) 2.982 5.998 ( -0.684 2.216 -1.528) 2.778 6.019 ( -0.110 1.370 0.016) 1.375 6.067 ( -1.616 -1.648 -1.015) 2.522 6.087 ( -0.442 -2.361 -0.195) 2.410 6.494 ( -2.149 1.060 0.478) 2.443 6.519 ( -2.621 -1.248 0.074) 2.904 6.570 ( 2.057 0.398 1.077) 2.356 6.575 ( 2.071 -0.072 1.420) 2.512 6.712 ( -1.790 0.488 0.925) 2.074 6.723 ( -0.794 -0.470 0.383) 0.999 6.783 ( 3.980 1.395 -2.200) 4.757 6.810 ( 3.985 -1.166 -3.129) 5.199 7.263 ( 1.192 1.594 0.832) 2.157 7.296 ( 0.993 -1.447 0.821) 1.938 7.365 ( 2.887 1.566 -0.779) 3.375 7.397 ( 2.429 -1.310 -1.794) 3.291 7.698 ( -2.593 -0.104 2.199) 3.401 7.703 ( -2.692 -0.583 2.482) 3.707 7.925 ( -1.670 0.984 -1.185) 2.272 7.936 ( -1.900 -0.057 -1.236) 2.267 ======================= Grid point 31 (20/81) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 5.338 0.982 3.349) 6.377 1.314 ( 2.999 -2.396 2.605) 4.638 1.451 ( 4.963 2.515 -5.769) 8.015 1.495 ( 4.942 -1.563 -5.205) 7.346 1.551 ( 4.393 1.657 -3.490) 5.850 1.595 ( 4.012 -2.373 -3.179) 5.642 1.654 ( 2.005 2.557 -3.712) 4.934 1.694 ( -0.887 -0.989 0.655) 1.481 1.700 ( 4.861 -0.014 -1.908) 5.222 1.725 ( 0.290 -2.368 2.140) 3.205 1.850 ( 4.125 1.697 1.947) 4.867 1.875 ( 3.747 -0.770 2.714) 4.690 2.067 ( 4.238 1.059 0.448) 4.392 2.105 ( 3.605 -2.213 -0.033) 4.230 2.221 ( 0.595 1.284 1.893) 2.364 2.243 ( -0.004 -0.438 1.321) 1.391 2.372 ( -3.717 2.222 0.318) 4.343 2.425 ( -4.302 -1.974 0.883) 4.815 2.466 ( -5.669 0.931 -0.010) 5.745 2.502 ( -4.586 -1.862 0.690) 4.997 2.618 ( -1.908 0.670 1.776) 2.691 2.648 ( -2.123 -2.139 1.190) 3.240 2.779 ( -1.909 1.217 1.839) 2.917 2.804 ( -1.241 -0.966 0.617) 1.689 2.866 ( -3.755 1.562 0.719) 4.130 2.894 ( -4.197 -1.050 -0.293) 4.336 2.971 ( -1.887 1.176 3.645) 4.270 2.991 ( -2.278 -0.631 2.730) 3.611 3.437 ( 2.249 1.017 -4.352) 5.003 3.452 ( 1.014 -0.390 -2.946) 3.140 3.588 ( 0.785 3.114 -3.448) 4.711 3.648 ( 0.089 -2.603 -4.723) 5.393 3.854 ( 0.842 2.321 1.632) 2.959 3.900 ( 0.063 -1.462 1.871) 2.375 3.967 ( 0.548 2.347 0.897) 2.572 4.024 ( 1.033 -2.622 1.945) 3.424 5.166 ( -2.042 0.655 -0.769) 2.278 5.179 ( -2.171 -0.581 -0.897) 2.419 5.225 ( -1.586 0.260 1.554) 2.236 5.231 ( -1.678 -0.331 1.290) 2.142 5.974 ( -0.732 1.951 -1.369) 2.493 6.012 ( -0.624 -0.247 -0.366) 0.764 6.033 ( -1.206 0.480 -0.428) 1.366 6.077 ( -0.553 -2.375 0.295) 2.456 6.426 ( -3.283 0.995 -0.834) 3.531 6.448 ( -3.093 -1.112 -0.851) 3.395 6.582 ( -1.280 0.737 1.303) 1.970 6.598 ( -1.113 -0.773 1.821) 2.270 6.755 ( 3.703 0.955 2.252) 4.438 6.770 ( 3.567 -0.469 1.436) 3.873 6.832 ( 2.523 0.973 -2.195) 3.483 6.849 ( 2.134 -0.555 -3.285) 3.957 7.296 ( 1.594 0.952 1.071) 2.144 7.321 ( 0.983 -1.434 0.915) 1.965 7.415 ( 2.829 1.067 -1.696) 3.467 7.431 ( 2.130 -0.384 -2.124) 3.033 7.673 ( -1.628 -0.050 2.667) 3.125 7.679 ( -1.501 -0.593 2.650) 3.103 7.884 ( -1.710 0.920 -1.326) 2.351 7.892 ( -1.730 0.115 -1.405) 2.231 ======================= Grid point 32 (21/81) ======================= q-point: ( 0.46 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 2.356 0.419 0.708) 2.495 1.378 ( 1.934 -0.966 1.153) 2.450 1.472 ( 0.454 1.524 -2.506) 2.968 1.508 ( -0.324 -1.912 -2.001) 2.786 1.598 ( 2.816 1.384 -1.812) 3.623 1.631 ( 1.015 -1.368 -0.621) 1.812 1.648 ( -0.508 1.068 0.258) 1.211 1.680 ( -0.874 -2.179 -1.154) 2.616 1.744 ( 1.082 -0.314 0.579) 1.267 1.752 ( 1.062 -1.571 0.900) 2.099 1.940 ( 3.012 1.542 0.697) 3.455 1.961 ( 2.837 -0.257 1.298) 3.130 2.145 ( 4.397 1.297 -2.256) 5.109 2.178 ( 4.170 -1.521 -1.964) 4.854 2.224 ( -1.629 0.658 1.391) 2.241 2.243 ( -2.198 -1.212 1.888) 3.141 2.303 ( -2.053 2.462 1.467) 3.525 2.353 ( -2.314 -2.194 1.476) 3.514 2.374 ( -3.229 2.603 -0.899) 4.244 2.419 ( -3.840 -1.228 -0.643) 4.083 2.601 ( -0.560 0.064 0.313) 0.645 2.626 ( -0.555 -2.151 -0.291) 2.241 2.763 ( -0.497 0.345 0.853) 1.046 2.784 ( -1.048 -1.307 0.379) 1.718 2.823 ( -1.158 1.592 0.192) 1.978 2.845 ( -0.907 -0.421 -0.231) 1.026 2.961 ( -0.842 0.964 1.481) 1.958 2.974 ( -0.903 -0.205 1.265) 1.567 3.449 ( 0.879 0.732 -1.768) 2.106 3.457 ( 0.500 -0.043 -0.432) 0.662 3.590 ( 0.569 1.917 -0.586) 2.084 3.624 ( -0.159 -1.543 -2.222) 2.710 3.873 ( 0.421 1.938 0.566) 2.062 3.905 ( -0.153 -0.070 0.592) 0.615 3.982 ( 0.356 2.288 0.376) 2.346 4.047 ( 0.462 -3.181 0.681) 3.286 5.136 ( -0.744 0.519 -0.243) 0.939 5.146 ( -0.820 -0.450 -0.303) 0.983 5.210 ( -0.575 0.082 0.579) 0.820 5.213 ( -0.685 -0.190 0.405) 0.818 5.958 ( -0.338 1.634 -0.510) 1.744 5.995 ( -0.486 -1.803 -0.514) 1.937 6.021 ( -0.251 2.442 0.276) 2.470 6.072 ( -0.198 -2.272 0.253) 2.295 6.378 ( -1.187 1.077 -0.451) 1.665 6.403 ( -1.114 -1.318 -0.432) 1.779 6.567 ( -0.603 1.019 0.434) 1.261 6.588 ( -0.493 -1.025 0.678) 1.324 6.824 ( 1.750 0.637 1.986) 2.723 6.825 ( 1.180 0.404 0.543) 1.360 6.850 ( 0.459 0.508 -2.113) 2.221 6.863 ( 1.060 -0.438 -0.822) 1.411 7.330 ( 1.111 0.188 0.739) 1.347 7.340 ( 0.310 -0.787 0.549) 1.008 7.443 ( 0.962 0.515 -0.936) 1.438 7.447 ( 0.761 0.193 -1.318) 1.535 7.666 ( -0.544 0.040 1.199) 1.317 7.674 ( -0.407 -0.760 1.082) 1.384 7.853 ( -0.735 0.978 -0.563) 1.347 7.861 ( -0.730 0.203 -0.587) 0.959 ======================= Grid point 65 (22/81) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( -3.707 0.000 17.227) 17.621 0.417 ( -0.108 0.000 20.260) 20.260 0.639 ( -2.311 0.000 22.052) 22.173 0.844 ( -2.671 0.000 26.642) 26.776 0.936 ( 2.027 0.000 0.694) 2.142 1.162 ( 0.410 0.000 12.447) 12.453 1.258 ( -0.477 0.000 -14.147) 14.155 1.282 ( -0.987 0.000 -2.051) 2.276 1.322 ( 1.370 0.000 -11.625) 11.705 1.535 ( -2.718 0.000 -8.163) 8.604 1.625 ( -0.476 0.000 7.975) 7.989 1.741 ( 3.020 0.000 9.594) 10.058 1.800 ( -0.712 0.000 -9.167) 9.195 1.940 ( 2.070 0.000 -5.997) 6.345 2.000 ( 1.212 0.000 -6.445) 6.558 2.085 ( 0.583 0.000 -11.766) 11.781 2.637 ( 2.462 0.000 -1.278) 2.774 2.644 ( -1.200 0.000 -4.138) 4.309 2.664 ( 4.450 0.000 -1.995) 4.877 2.701 ( -3.443 0.000 -5.743) 6.696 2.822 ( 1.058 0.000 2.531) 2.743 2.944 ( 1.342 0.000 3.115) 3.392 2.999 ( -0.090 0.000 -2.975) 2.976 3.045 ( -3.535 0.000 2.532) 4.348 3.096 ( -1.232 0.000 2.570) 2.850 3.111 ( -2.778 0.000 0.237) 2.788 3.136 ( -0.619 0.000 -0.173) 0.643 3.174 ( 1.289 0.000 3.026) 3.289 3.374 ( 1.280 0.000 -3.264) 3.506 3.392 ( -0.322 0.000 -3.339) 3.354 3.439 ( -2.816 0.000 0.225) 2.825 3.473 ( 0.186 0.000 -1.393) 1.406 3.646 ( -0.211 0.000 9.534) 9.536 3.861 ( 0.544 0.000 7.629) 7.648 3.937 ( 0.099 0.000 -2.762) 2.764 4.001 ( -0.119 0.000 0.117) 0.167 5.321 ( 0.266 0.000 2.325) 2.340 5.373 ( 0.053 0.000 -0.195) 0.202 5.461 ( -2.223 0.000 1.663) 2.777 5.596 ( 8.389 0.000 -3.614) 9.135 5.842 ( -2.021 0.000 1.833) 2.728 5.916 ( -12.933 0.000 5.223) 13.948 5.947 ( 0.422 0.000 -2.149) 2.190 6.077 ( 1.833 0.000 1.729) 2.520 6.236 ( 0.350 0.000 -3.639) 3.656 6.278 ( 0.717 0.000 -1.940) 2.068 6.409 ( -1.644 0.000 4.128) 4.443 6.571 ( 8.262 0.000 -2.620) 8.667 6.928 ( 0.707 0.000 -0.070) 0.710 6.962 ( 0.113 0.000 -1.357) 1.362 7.015 ( 0.238 0.000 -0.170) 0.292 7.024 ( -1.556 0.000 -0.461) 1.623 7.151 ( -0.118 0.000 -0.501) 0.515 7.154 ( 0.019 0.000 -0.350) 0.351 7.321 ( 0.247 0.000 2.657) 2.669 7.425 ( -0.499 0.000 -1.713) 1.784 7.883 ( 0.390 0.000 -0.028) 0.391 7.894 ( -0.444 0.000 -0.680) 0.812 7.950 ( -0.786 0.000 2.022) 2.169 8.032 ( 0.794 0.000 -1.384) 1.596 ======================= Grid point 66 (23/81) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 3.717 0.000 15.547) 15.985 0.545 ( 4.050 0.000 19.792) 20.202 0.801 ( 5.322 0.000 9.129) 10.567 1.019 ( 7.456 0.000 -3.022) 8.046 1.110 ( 8.692 0.000 27.346) 28.694 1.152 ( 0.221 0.000 -16.789) 16.790 1.296 ( 3.097 0.000 -10.543) 10.988 1.310 ( 4.354 0.000 14.294) 14.942 1.322 ( 6.224 0.000 6.192) 8.779 1.444 ( -0.024 0.000 -10.432) 10.432 1.677 ( 0.568 0.000 6.956) 6.979 1.729 ( -0.961 0.000 -7.322) 7.385 1.882 ( 4.879 0.000 10.305) 11.402 1.921 ( 0.206 0.000 -7.859) 7.862 1.998 ( 3.380 0.000 -12.975) 13.409 2.059 ( 5.884 0.000 -12.434) 13.756 2.580 ( -2.655 0.000 -2.513) 3.656 2.622 ( -1.679 0.000 -4.695) 4.986 2.670 ( 1.658 0.000 0.114) 1.662 2.764 ( 5.152 0.000 -5.439) 7.492 2.852 ( 0.195 0.000 3.091) 3.097 2.950 ( -4.230 0.000 -2.666) 5.000 2.955 ( -2.181 0.000 3.772) 4.357 2.978 ( -3.619 0.000 0.948) 3.741 3.021 ( -4.645 0.000 3.332) 5.717 3.109 ( 0.631 0.000 -0.163) 0.652 3.147 ( 1.840 0.000 1.064) 2.126 3.208 ( -1.812 0.000 4.841) 5.169 3.375 ( -3.875 0.000 -0.874) 3.973 3.383 ( 2.885 0.000 -5.031) 5.799 3.390 ( 1.706 0.000 -2.365) 2.917 3.532 ( 4.581 0.000 -1.190) 4.733 3.733 ( 2.540 0.000 9.740) 10.066 3.912 ( 0.036 0.000 -4.249) 4.249 3.915 ( 0.704 0.000 5.734) 5.777 3.994 ( -0.911 0.000 0.140) 0.922 5.331 ( -0.669 0.000 2.264) 2.361 5.361 ( -1.078 0.000 -0.747) 1.312 5.410 ( -3.742 0.000 0.649) 3.798 5.519 ( -8.021 0.000 5.087) 9.499 5.854 ( 3.040 0.000 1.397) 3.346 5.949 ( 0.893 0.000 -2.115) 2.296 5.970 ( 6.443 0.000 0.087) 6.443 6.144 ( 2.995 0.000 4.403) 5.325 6.254 ( 4.479 0.000 -3.786) 5.865 6.297 ( 2.432 0.000 -1.508) 2.862 6.389 ( -2.677 0.000 2.318) 3.541 6.606 ( 0.729 0.000 -4.515) 4.573 6.905 ( -3.386 0.000 0.796) 3.478 6.929 ( -2.560 0.000 -1.783) 3.120 6.959 ( -4.560 0.000 -0.148) 4.563 6.986 ( -3.161 0.000 0.087) 3.162 7.151 ( 0.405 0.000 0.014) 0.405 7.160 ( 0.782 0.000 -0.435) 0.895 7.342 ( 0.172 0.000 2.995) 3.000 7.400 ( -0.722 0.000 -2.253) 2.366 7.868 ( -1.775 0.000 -0.414) 1.823 7.892 ( 0.433 0.000 -0.022) 0.434 7.930 ( -2.466 0.000 1.894) 3.109 8.027 ( -0.518 0.000 -1.376) 1.470 ======================= Grid point 67 (24/81) ======================= q-point: ( 0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 9.206 0.000 13.112) 16.021 0.800 ( 10.992 0.000 12.568) 16.697 0.961 ( 7.929 0.000 1.099) 8.005 1.090 ( 4.686 0.000 -16.927) 17.564 1.126 ( 6.792 0.000 -2.888) 7.381 1.312 ( 4.262 0.000 -5.860) 7.246 1.391 ( 6.323 0.000 14.652) 15.958 1.414 ( 3.258 0.000 -10.259) 10.764 1.475 ( 6.642 0.000 9.762) 11.807 1.606 ( 10.997 0.000 17.037) 20.278 1.687 ( 0.727 0.000 -4.724) 4.780 1.731 ( 1.709 0.000 7.154) 7.356 1.860 ( -1.329 0.000 -6.701) 6.832 1.991 ( 5.479 0.000 -15.063) 16.029 2.034 ( 4.448 0.000 8.815) 9.873 2.112 ( 6.968 0.000 -13.399) 15.103 2.524 ( -2.711 0.000 -0.579) 2.772 2.569 ( -1.177 0.000 -2.486) 2.750 2.686 ( -0.601 0.000 0.079) 0.606 2.762 ( -2.617 0.000 -2.233) 3.440 2.844 ( -5.031 0.000 -0.180) 5.034 2.866 ( -0.740 0.000 2.729) 2.828 2.915 ( -2.428 0.000 -2.509) 3.491 2.925 ( -3.165 0.000 3.151) 4.466 2.997 ( -0.232 0.000 2.397) 2.408 3.113 ( -0.907 0.000 1.922) 2.125 3.158 ( -4.488 0.000 0.824) 4.563 3.199 ( 0.004 0.000 6.536) 6.536 3.280 ( -4.305 0.000 -3.115) 5.314 3.403 ( 1.503 0.000 -3.896) 4.176 3.418 ( 2.898 0.000 -2.771) 4.010 3.600 ( 3.455 0.000 -1.993) 3.989 3.837 ( 2.247 0.000 6.470) 6.849 3.895 ( 0.888 0.000 -4.325) 4.416 3.959 ( 1.113 0.000 3.634) 3.801 3.968 ( -1.744 0.000 0.074) 1.745 5.324 ( -2.507 0.000 -0.582) 2.573 5.325 ( -1.295 0.000 1.923) 2.318 5.335 ( -3.563 0.000 -1.219) 3.766 5.429 ( -5.227 0.000 4.679) 7.015 5.921 ( 2.911 0.000 0.555) 2.964 5.946 ( -0.084 0.000 -1.322) 1.325 6.075 ( 4.587 0.000 -1.314) 4.772 6.221 ( 0.648 0.000 4.162) 4.212 6.352 ( 4.034 0.000 -1.351) 4.254 6.356 ( 4.805 0.000 -1.072) 4.923 6.371 ( 4.770 0.000 0.748) 4.829 6.595 ( 1.210 0.000 -4.694) 4.847 6.824 ( -5.558 0.000 1.970) 5.896 6.853 ( -4.065 0.000 -1.536) 4.345 6.859 ( -5.406 0.000 -0.763) 5.459 6.905 ( -5.163 0.000 0.331) 5.174 7.168 ( 1.212 0.000 0.539) 1.326 7.178 ( 1.504 0.000 -0.602) 1.620 7.366 ( 0.320 0.000 3.058) 3.075 7.374 ( -0.319 0.000 -2.699) 2.718 7.829 ( -2.361 0.000 0.772) 2.484 7.887 ( -3.306 0.000 2.404) 4.088 7.894 ( -0.055 0.000 -0.868) 0.869 7.995 ( -1.791 0.000 -1.935) 2.637 ======================= Grid point 68 (25/81) ======================= q-point: ( 0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 10.933 0.000 10.474) 15.140 1.038 ( 8.221 0.000 -5.325) 9.795 1.125 ( 8.513 0.000 -12.570) 15.182 1.131 ( 11.447 0.000 4.418) 12.270 1.278 ( 8.611 0.000 4.271) 9.612 1.394 ( 6.446 0.000 -0.701) 6.484 1.422 ( 3.636 0.000 -8.507) 9.252 1.546 ( 2.648 0.000 5.250) 5.880 1.627 ( 4.423 0.000 5.522) 7.075 1.698 ( 2.052 0.000 -1.646) 2.631 1.781 ( 3.584 0.000 9.660) 10.304 1.813 ( 0.311 0.000 -3.629) 3.642 1.941 ( 8.346 0.000 12.959) 15.415 2.016 ( 6.153 0.000 -12.921) 14.311 2.139 ( 4.120 0.000 -12.031) 12.716 2.144 ( 2.304 0.000 5.424) 5.893 2.466 ( -2.553 0.000 -0.777) 2.669 2.557 ( 0.851 0.000 -1.260) 1.521 2.626 ( -5.185 0.000 -1.406) 5.372 2.691 ( -2.871 0.000 -0.060) 2.871 2.751 ( -5.153 0.000 -0.666) 5.196 2.846 ( -3.198 0.000 1.128) 3.391 2.853 ( -2.000 0.000 -3.894) 4.378 2.873 ( -3.616 0.000 1.612) 3.959 3.025 ( 0.301 0.000 4.422) 4.433 3.048 ( -6.490 0.000 -1.990) 6.788 3.098 ( -2.325 0.000 2.977) 3.777 3.139 ( -6.997 0.000 1.596) 7.177 3.276 ( 2.085 0.000 3.123) 3.755 3.406 ( 1.781 0.000 -3.359) 3.802 3.454 ( 1.551 0.000 1.108) 1.906 3.636 ( 1.905 0.000 -2.564) 3.194 3.872 ( -0.908 0.000 0.972) 1.331 3.883 ( -0.129 0.000 -2.800) 2.803 3.945 ( -0.110 0.000 -0.690) 0.699 4.015 ( 2.371 0.000 3.158) 3.949 5.251 ( -3.651 0.000 -0.834) 3.745 5.279 ( -2.351 0.000 -1.435) 2.754 5.306 ( -1.749 0.000 1.353) 2.211 5.365 ( -4.230 0.000 2.977) 5.172 5.934 ( -0.489 0.000 -0.354) 0.603 5.966 ( 1.438 0.000 0.665) 1.584 6.120 ( 1.546 0.000 -1.932) 2.475 6.187 ( -3.791 0.000 -0.014) 3.791 6.456 ( 5.389 0.000 -0.614) 5.424 6.458 ( 7.039 0.000 1.298) 7.158 6.518 ( 6.936 0.000 2.406) 7.342 6.576 ( -1.164 0.000 -3.426) 3.618 6.736 ( -4.652 0.000 0.996) 4.757 6.769 ( -2.219 0.000 -1.229) 2.537 6.770 ( -3.470 0.000 -1.039) 3.622 6.811 ( -4.630 0.000 1.309) 4.812 7.202 ( 1.886 0.000 0.900) 2.090 7.212 ( 2.658 0.000 -0.863) 2.794 7.358 ( 0.524 0.000 -2.928) 2.975 7.389 ( 0.190 0.000 2.763) 2.770 7.794 ( -2.234 0.000 2.401) 3.280 7.841 ( -3.327 0.000 3.283) 4.674 7.875 ( -0.904 0.000 -2.355) 2.522 7.937 ( -2.588 0.000 -2.937) 3.915 ======================= Grid point 69 (26/81) ======================= q-point: ( 0.31 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 7.150 0.000 -10.052) 12.335 1.195 ( 8.800 0.000 3.681) 9.538 1.255 ( 9.719 0.000 -1.630) 9.854 1.385 ( 9.853 0.000 5.848) 11.458 1.453 ( 3.846 0.000 -3.391) 5.127 1.462 ( 6.282 0.000 4.824) 7.921 1.531 ( 7.077 0.000 1.501) 7.235 1.572 ( 2.275 0.000 -2.896) 3.683 1.724 ( 1.163 0.000 0.028) 1.163 1.743 ( 3.804 0.000 5.821) 6.954 1.834 ( 2.554 0.000 0.237) 2.565 1.904 ( 1.986 0.000 8.868) 9.088 2.059 ( 5.766 0.000 -9.909) 11.464 2.093 ( 2.306 0.000 5.041) 5.544 2.124 ( 1.188 0.000 -7.823) 7.913 2.197 ( 0.717 0.000 3.060) 3.143 2.423 ( -1.559 0.000 -1.129) 1.925 2.509 ( -5.837 0.000 -1.064) 5.933 2.570 ( 0.882 0.000 -2.105) 2.282 2.628 ( -5.995 0.000 -1.366) 6.149 2.653 ( -1.803 0.000 -1.500) 2.346 2.756 ( -5.200 0.000 -2.096) 5.606 2.798 ( -1.026 0.000 -4.171) 4.295 2.808 ( -3.764 0.000 -1.107) 3.924 2.913 ( -5.592 0.000 -1.620) 5.822 3.016 ( -6.244 0.000 -0.435) 6.259 3.026 ( -2.992 0.000 1.846) 3.515 3.066 ( -2.579 0.000 2.241) 3.417 3.338 ( 1.556 0.000 5.153) 5.383 3.447 ( 3.155 0.000 1.485) 3.487 3.493 ( 0.638 0.000 4.878) 4.919 3.650 ( 1.253 0.000 -1.322) 1.822 3.836 ( -2.033 0.000 -1.668) 2.630 3.860 ( -0.809 0.000 -0.755) 1.106 3.951 ( 1.359 0.000 -2.076) 2.482 4.072 ( 1.912 0.000 1.394) 2.366 5.187 ( -2.660 0.000 -0.497) 2.706 5.225 ( -2.447 0.000 -0.889) 2.603 5.276 ( -2.027 0.000 0.616) 2.119 5.305 ( -3.552 0.000 1.537) 3.871 5.926 ( -0.318 0.000 0.472) 0.570 5.986 ( 0.129 0.000 1.227) 1.233 6.114 ( -3.297 0.000 -0.983) 3.440 6.125 ( 0.396 0.000 -1.578) 1.627 6.484 ( -3.488 0.000 0.512) 3.525 6.530 ( -1.796 0.000 0.052) 1.796 6.564 ( 2.066 0.000 -0.549) 2.138 6.622 ( 2.106 0.000 1.425) 2.543 6.695 ( 1.642 0.000 -1.315) 2.103 6.724 ( -0.108 0.000 0.025) 0.111 6.761 ( 1.825 0.000 -2.904) 3.430 6.790 ( 1.422 0.000 4.098) 4.338 7.251 ( 2.561 0.000 1.369) 2.904 7.267 ( 3.752 0.000 -1.377) 3.996 7.358 ( 1.338 0.000 -2.871) 3.168 7.405 ( -0.255 0.000 2.248) 2.263 7.774 ( -1.944 0.000 3.591) 4.084 7.804 ( -2.881 0.000 3.967) 4.902 7.833 ( -1.406 0.000 -3.642) 3.904 7.867 ( -2.361 0.000 -3.855) 4.520 ======================= Grid point 70 (27/81) ======================= q-point: ( 0.38 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 7.931 0.000 -7.066) 10.622 1.339 ( 4.641 0.000 1.011) 4.750 1.418 ( 5.645 0.000 4.840) 7.436 1.475 ( 0.751 0.000 -1.981) 2.118 1.525 ( 3.736 0.000 0.887) 3.840 1.607 ( 6.145 0.000 5.087) 7.977 1.653 ( 3.631 0.000 1.564) 3.953 1.668 ( 6.072 0.000 2.917) 6.737 1.757 ( 2.399 0.000 0.506) 2.452 1.837 ( 2.737 0.000 3.879) 4.747 1.882 ( 1.511 0.000 0.576) 1.617 1.941 ( -1.769 0.000 4.537) 4.870 2.094 ( 2.137 0.000 -5.856) 6.234 2.121 ( 4.012 0.000 -4.901) 6.334 2.160 ( 2.280 0.000 2.804) 3.614 2.198 ( -0.584 0.000 0.500) 0.769 2.380 ( -2.872 0.000 -0.570) 2.928 2.399 ( -5.059 0.000 -1.300) 5.223 2.495 ( -5.828 0.000 -2.319) 6.272 2.521 ( -5.339 0.000 -1.209) 5.474 2.627 ( -0.267 0.000 -2.500) 2.514 2.661 ( -1.547 0.000 -4.896) 5.135 2.750 ( 0.264 0.000 -3.715) 3.725 2.768 ( 0.347 0.000 -3.030) 3.050 2.830 ( -3.189 0.000 0.656) 3.256 2.901 ( -4.948 0.000 -1.816) 5.271 2.954 ( -4.030 0.000 -1.518) 4.306 3.014 ( -3.556 0.000 -0.382) 3.577 3.393 ( 0.856 0.000 4.982) 5.055 3.517 ( 1.902 0.000 2.529) 3.164 3.536 ( -0.311 0.000 7.181) 7.187 3.683 ( 1.945 0.000 3.154) 3.705 3.792 ( -1.076 0.000 -1.652) 1.971 3.843 ( -0.593 0.000 -0.920) 1.095 3.962 ( 1.148 0.000 -2.606) 2.847 4.101 ( 0.936 0.000 -0.742) 1.194 5.145 ( -1.634 0.000 0.051) 1.635 5.180 ( -1.815 0.000 -0.072) 1.817 5.239 ( -1.934 0.000 -0.312) 1.959 5.252 ( -2.519 0.000 0.355) 2.544 5.928 ( 0.006 0.000 1.125) 1.125 5.987 ( -0.839 0.000 1.597) 1.805 6.058 ( -1.982 0.000 -0.600) 2.070 6.120 ( -0.037 0.000 -1.113) 1.113 6.414 ( -3.663 0.000 1.575) 3.987 6.484 ( -2.791 0.000 1.232) 3.051 6.550 ( -1.188 0.000 -1.588) 1.983 6.616 ( -1.141 0.000 -1.800) 2.131 6.748 ( 3.624 0.000 -2.676) 4.505 6.770 ( 2.343 0.000 1.637) 2.858 6.788 ( 2.678 0.000 -1.237) 2.950 6.863 ( 2.200 0.000 3.883) 4.463 7.312 ( 2.593 0.000 1.865) 3.194 7.331 ( 3.951 0.000 -1.949) 4.406 7.372 ( 1.830 0.000 -2.459) 3.065 7.404 ( -1.126 0.000 1.497) 1.873 7.757 ( -2.363 0.000 3.552) 4.266 7.779 ( -2.484 0.000 3.902) 4.625 7.788 ( -0.579 0.000 -3.599) 3.646 7.811 ( -0.733 0.000 -3.906) 3.974 ======================= Grid point 71 (28/81) ======================= q-point: ( 0.46 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 8.093 0.000 -2.042) 8.346 1.375 ( -0.877 0.000 1.337) 1.599 1.499 ( 4.197 0.000 -3.167) 5.258 1.513 ( -1.334 0.000 3.755) 3.985 1.580 ( 3.181 0.000 3.232) 4.535 1.671 ( -1.961 0.000 1.384) 2.400 1.712 ( 0.618 0.000 6.065) 6.097 1.790 ( 1.677 0.000 2.916) 3.364 1.806 ( 2.944 0.000 0.608) 3.006 1.859 ( -2.517 0.000 0.133) 2.520 1.898 ( 1.339 0.000 0.195) 1.353 1.928 ( -1.803 0.000 3.238) 3.706 2.105 ( 2.411 0.000 -3.092) 3.921 2.177 ( 1.905 0.000 -1.235) 2.270 2.182 ( 3.730 0.000 -3.509) 5.121 2.253 ( 0.728 0.000 2.248) 2.363 2.301 ( -2.336 0.000 -1.419) 2.733 2.314 ( -2.219 0.000 0.342) 2.246 2.398 ( -2.901 0.000 -2.012) 3.530 2.405 ( -5.469 0.000 0.138) 5.471 2.601 ( -0.438 0.000 -3.712) 3.737 2.638 ( 1.978 0.000 -5.001) 5.377 2.760 ( 1.104 0.000 -0.071) 1.106 2.768 ( 0.985 0.000 -2.271) 2.475 2.792 ( -0.964 0.000 -2.067) 2.280 2.823 ( -1.168 0.000 -1.444) 1.857 2.877 ( -2.396 0.000 -2.508) 3.469 2.941 ( -2.618 0.000 -2.876) 3.889 3.432 ( 0.391 0.000 4.065) 4.083 3.539 ( -0.011 0.000 0.232) 0.232 3.562 ( -1.631 0.000 7.413) 7.590 3.752 ( 1.422 0.000 6.872) 7.017 3.786 ( 0.724 0.000 0.547) 0.907 3.823 ( -0.456 0.000 -2.173) 2.220 3.960 ( 0.486 0.000 -2.993) 3.032 4.097 ( -0.170 0.000 -2.821) 2.827 5.127 ( -0.440 0.000 0.574) 0.723 5.160 ( -0.490 0.000 0.662) 0.824 5.203 ( -1.225 0.000 -1.228) 1.735 5.217 ( -1.116 0.000 -0.496) 1.222 5.940 ( 0.281 0.000 1.833) 1.854 5.976 ( -1.234 0.000 1.300) 1.792 6.036 ( -0.131 0.000 0.054) 0.142 6.110 ( -0.171 0.000 -1.348) 1.359 6.379 ( -1.284 0.000 2.579) 2.881 6.456 ( -1.014 0.000 1.721) 1.997 6.525 ( -0.277 0.000 -1.642) 1.665 6.583 ( -0.575 0.000 -3.151) 3.203 6.780 ( 1.852 0.000 -2.435) 3.059 6.796 ( -0.406 0.000 0.092) 0.416 6.847 ( 2.897 0.000 1.370) 3.204 6.898 ( -0.601 0.000 2.230) 2.309 7.357 ( 0.501 0.000 1.367) 1.456 7.379 ( -1.899 0.000 0.422) 1.945 7.387 ( 3.065 0.000 -1.873) 3.593 7.396 ( 2.152 0.000 -1.846) 2.835 7.725 ( -3.068 0.000 2.730) 4.107 7.750 ( -2.898 0.000 2.659) 3.932 7.779 ( 1.475 0.000 -1.986) 2.474 7.799 ( 1.706 0.000 -2.550) 3.068 ======================= Grid point 72 (29/81) ======================= q-point: (-0.46 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -3.670 0.000 0.847) 3.766 1.430 ( -5.178 0.000 -2.381) 5.699 1.471 ( 5.711 0.000 2.372) 6.185 1.575 ( 2.025 0.000 -5.890) 6.228 1.623 ( -0.587 0.000 4.879) 4.914 1.675 ( 1.513 0.000 7.837) 7.982 1.705 ( -3.982 0.000 0.816) 4.065 1.762 ( -1.010 0.000 -2.669) 2.854 1.791 ( -4.509 0.000 4.614) 6.452 1.847 ( -1.897 0.000 6.315) 6.594 1.900 ( -3.461 0.000 2.430) 4.228 1.936 ( -0.052 0.000 1.681) 1.682 2.105 ( -7.196 0.000 -7.216) 10.190 2.113 ( -0.776 0.000 -1.232) 1.456 2.223 ( 5.397 0.000 -3.478) 6.421 2.236 ( -1.689 0.000 2.616) 3.113 2.324 ( -2.438 0.000 0.003) 2.438 2.341 ( 2.068 0.000 0.568) 2.144 2.360 ( 4.727 0.000 -0.517) 4.755 2.386 ( 4.555 0.000 -3.885) 5.987 2.571 ( -0.416 0.000 -3.035) 3.064 2.658 ( 2.653 0.000 -4.584) 5.297 2.737 ( -1.347 0.000 -1.862) 2.298 2.774 ( 1.193 0.000 -2.111) 2.424 2.804 ( 1.597 0.000 2.392) 2.876 2.830 ( -0.506 0.000 -4.145) 4.176 2.848 ( 3.605 0.000 -0.956) 3.729 2.898 ( 0.593 0.000 -3.468) 3.519 3.460 ( 0.290 0.000 2.928) 2.942 3.542 ( 0.479 0.000 0.817) 0.947 3.578 ( -1.688 0.000 8.759) 8.920 3.776 ( -1.136 0.000 -1.077) 1.565 3.815 ( 1.182 0.000 1.907) 2.244 3.831 ( 0.554 0.000 4.411) 4.445 3.946 ( 0.187 0.000 -2.756) 2.762 4.060 ( -1.320 0.000 -4.623) 4.807 5.137 ( 0.901 0.000 1.202) 1.502 5.172 ( 1.247 0.000 1.127) 1.680 5.181 ( -0.098 0.000 -1.700) 1.703 5.204 ( 0.307 0.000 -1.112) 1.154 5.960 ( 0.350 0.000 2.537) 2.561 5.962 ( -0.717 0.000 0.602) 0.936 6.052 ( 1.518 0.000 0.459) 1.586 6.103 ( 0.644 0.000 -1.745) 1.860 6.394 ( 0.802 0.000 3.146) 3.247 6.465 ( 0.666 0.000 1.942) 2.053 6.521 ( 0.963 0.000 -2.043) 2.258 6.561 ( 0.529 0.000 -3.500) 3.540 6.759 ( -2.976 0.000 -1.142) 3.188 6.794 ( 0.586 0.000 -0.465) 0.748 6.870 ( -3.136 0.000 0.548) 3.183 6.901 ( 1.455 0.000 2.240) 2.672 7.325 ( -2.910 0.000 0.316) 2.927 7.366 ( -0.604 0.000 -0.228) 0.646 7.411 ( 0.578 0.000 -1.136) 1.274 7.435 ( 2.410 0.000 -1.069) 2.637 7.678 ( -3.025 0.000 1.722) 3.481 7.705 ( -2.758 0.000 0.999) 2.934 7.811 ( 2.569 0.000 -0.810) 2.694 7.838 ( 3.049 0.000 -0.858) 3.168 ======================= Grid point 73 (30/81) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -11.596 0.000 -4.836) 12.564 1.391 ( 0.593 0.000 0.445) 0.742 1.466 ( -6.508 0.000 -0.958) 6.578 1.553 ( -2.435 0.000 3.606) 4.351 1.597 ( -4.543 0.000 -3.595) 5.793 1.703 ( 0.472 0.000 2.859) 2.898 1.725 ( -2.656 0.000 1.453) 3.027 1.738 ( -5.371 0.000 9.221) 10.671 1.741 ( -0.535 0.000 9.742) 9.756 1.822 ( -6.039 0.000 1.466) 6.214 1.839 ( -1.713 0.000 1.273) 2.134 1.895 ( -8.370 0.000 -10.104) 13.121 1.898 ( -4.005 0.000 4.152) 5.769 2.124 ( 2.786 0.000 -1.286) 3.069 2.148 ( -6.592 0.000 -2.733) 7.137 2.274 ( 1.495 0.000 -2.763) 3.141 2.340 ( 3.002 0.000 1.716) 3.458 2.421 ( 5.738 0.000 -0.928) 5.813 2.446 ( 5.838 0.000 -4.614) 7.440 2.454 ( 4.042 0.000 -2.674) 4.847 2.559 ( 1.420 0.000 -2.302) 2.705 2.664 ( 1.512 0.000 -4.903) 5.131 2.718 ( -0.003 0.000 -0.931) 0.931 2.759 ( -0.094 0.000 -4.248) 4.249 2.851 ( 4.572 0.000 -1.267) 4.744 2.875 ( 4.043 0.000 3.375) 5.267 2.916 ( 2.960 0.000 -2.648) 3.971 2.926 ( 4.417 0.000 0.593) 4.457 3.482 ( -0.003 0.000 3.214) 3.214 3.577 ( 1.868 0.000 2.686) 3.271 3.608 ( -1.339 0.000 10.119) 10.207 3.739 ( -1.203 0.000 -2.838) 3.083 3.837 ( -1.280 0.000 -1.362) 1.869 3.841 ( 0.222 0.000 1.130) 1.152 3.955 ( 1.022 0.000 2.584) 2.778 3.991 ( -2.455 0.000 -6.078) 6.555 5.174 ( 2.034 0.000 1.708) 2.656 5.178 ( 0.877 0.000 -1.785) 1.989 5.212 ( 1.283 0.000 -1.416) 1.911 5.219 ( 2.801 0.000 1.517) 3.185 5.960 ( 0.296 0.000 0.102) 0.313 5.982 ( 0.128 0.000 2.787) 2.790 6.088 ( 1.779 0.000 0.060) 1.780 6.114 ( 1.652 0.000 -1.930) 2.540 6.439 ( 1.872 0.000 2.591) 3.196 6.506 ( 2.451 0.000 2.273) 3.343 6.530 ( 1.628 0.000 -2.933) 3.354 6.566 ( 1.454 0.000 -2.337) 2.752 6.683 ( -3.368 0.000 -1.062) 3.531 6.790 ( -1.335 0.000 0.663) 1.491 6.797 ( -4.165 0.000 -0.327) 4.178 6.923 ( -0.809 0.000 2.191) 2.336 7.272 ( -2.798 0.000 0.388) 2.825 7.346 ( -1.044 0.000 -1.017) 1.457 7.382 ( -3.216 0.000 -0.732) 3.298 7.465 ( 0.821 0.000 0.075) 0.825 7.655 ( 0.198 0.000 0.965) 0.986 7.675 ( -0.336 0.000 0.439) 0.553 7.857 ( 2.515 0.000 -0.679) 2.605 7.889 ( 2.580 0.000 -0.583) 2.645 ======================= Grid point 74 (31/81) ======================= q-point: (-0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -13.156 0.000 -3.372) 13.581 1.308 ( -9.711 0.000 -0.558) 9.727 1.406 ( -11.156 0.000 -2.729) 11.485 1.424 ( 1.935 0.000 1.653) 2.545 1.490 ( -8.451 0.000 -0.347) 8.458 1.602 ( -10.530 0.000 6.253) 12.246 1.634 ( -6.616 0.000 2.160) 6.960 1.642 ( -9.003 0.000 -4.022) 9.861 1.717 ( -8.358 0.000 1.362) 8.468 1.726 ( -5.855 0.000 -1.621) 6.075 1.749 ( -2.461 0.000 2.706) 3.658 1.849 ( 1.801 0.000 3.592) 4.018 1.906 ( 0.918 0.000 8.973) 9.020 1.984 ( -6.952 0.000 -6.914) 9.805 2.174 ( 2.689 0.000 -2.583) 3.729 2.274 ( -0.400 0.000 -1.401) 1.457 2.414 ( 4.179 0.000 1.249) 4.361 2.500 ( 4.003 0.000 -3.954) 5.626 2.517 ( 3.828 0.000 -1.764) 4.215 2.526 ( 5.321 0.000 -3.159) 6.188 2.621 ( 5.792 0.000 1.042) 5.885 2.679 ( 3.050 0.000 -3.773) 4.851 2.719 ( 0.937 0.000 -1.268) 1.577 2.768 ( 3.866 0.000 -2.685) 4.707 2.944 ( 4.418 0.000 -0.314) 4.429 2.976 ( 4.912 0.000 -0.494) 4.937 2.989 ( 5.569 0.000 2.907) 6.282 3.014 ( 3.974 0.000 1.904) 4.407 3.494 ( -1.046 0.000 3.623) 3.771 3.621 ( 0.284 0.000 1.927) 1.948 3.646 ( -1.471 0.000 10.321) 10.425 3.695 ( -2.307 0.000 -1.707) 2.870 3.798 ( 0.831 0.000 -5.423) 5.486 3.814 ( -3.510 0.000 -2.741) 4.454 3.904 ( -2.313 0.000 -5.428) 5.900 3.996 ( 0.638 0.000 4.306) 4.353 5.189 ( 1.274 0.000 -1.510) 1.976 5.230 ( 2.553 0.000 1.746) 3.093 5.232 ( 1.604 0.000 -1.416) 2.139 5.292 ( 3.571 0.000 1.927) 4.057 5.972 ( 0.774 0.000 -0.049) 0.775 5.997 ( -0.285 0.000 2.300) 2.318 6.108 ( 0.532 0.000 -1.398) 1.496 6.136 ( 1.645 0.000 -1.789) 2.430 6.485 ( 1.083 0.000 1.718) 2.031 6.521 ( -3.907 0.000 -1.607) 4.224 6.542 ( -0.883 0.000 -0.907) 1.266 6.585 ( 4.179 0.000 2.132) 4.691 6.684 ( 4.067 0.000 -0.822) 4.149 6.739 ( -0.573 0.000 -0.493) 0.756 6.747 ( -3.300 0.000 0.164) 3.304 6.898 ( -2.609 0.000 1.321) 2.924 7.225 ( -2.376 0.000 0.459) 2.420 7.300 ( -4.282 0.000 -0.513) 4.313 7.318 ( -1.016 0.000 -1.264) 1.622 7.465 ( -0.678 0.000 0.490) 0.837 7.695 ( 3.065 0.000 0.988) 3.221 7.708 ( 2.889 0.000 1.505) 3.257 7.890 ( 1.357 0.000 -1.151) 1.779 7.928 ( 2.220 0.000 -1.165) 2.507 ======================= Grid point 75 (32/81) ======================= q-point: (-0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -12.285 0.000 2.188) 12.478 1.079 ( -14.914 0.000 -10.282) 18.115 1.120 ( -14.405 0.000 5.505) 15.422 1.302 ( -10.782 0.000 -2.230) 11.010 1.384 ( -15.915 0.000 8.105) 17.860 1.444 ( -10.538 0.000 -1.267) 10.614 1.482 ( 2.444 0.000 3.311) 4.116 1.522 ( -5.399 0.000 -0.306) 5.408 1.590 ( -5.055 0.000 -6.816) 8.486 1.593 ( -7.283 0.000 6.217) 9.576 1.694 ( -4.039 0.000 0.305) 4.050 1.813 ( -6.796 0.000 -5.226) 8.573 1.883 ( 0.473 0.000 2.573) 2.616 1.996 ( 1.536 0.000 5.694) 5.898 2.166 ( -1.221 0.000 -4.120) 4.297 2.246 ( -1.135 0.000 -1.905) 2.217 2.514 ( 4.604 0.000 2.620) 5.298 2.551 ( 3.685 0.000 -2.581) 4.499 2.569 ( 4.038 0.000 -4.585) 6.110 2.620 ( 5.482 0.000 0.639) 5.519 2.725 ( 3.785 0.000 -3.802) 5.365 2.747 ( 2.873 0.000 -0.678) 2.951 2.762 ( 6.810 0.000 3.786) 7.791 2.861 ( 5.935 0.000 0.284) 5.942 3.002 ( 2.808 0.000 -1.835) 3.354 3.081 ( 4.582 0.000 2.087) 5.034 3.090 ( 2.284 0.000 2.627) 3.481 3.111 ( 5.648 0.000 1.686) 5.894 3.478 ( -2.770 0.000 1.853) 3.332 3.596 ( -2.730 0.000 -1.219) 2.990 3.622 ( -3.123 0.000 -3.740) 4.872 3.666 ( -4.203 0.000 3.539) 5.495 3.693 ( -4.353 0.000 1.079) 4.485 3.827 ( 3.753 0.000 -1.763) 4.147 3.835 ( -2.515 0.000 -3.486) 4.298 4.024 ( -0.197 0.000 3.054) 3.060 5.207 ( 1.263 0.000 -0.506) 1.361 5.253 ( 1.385 0.000 -0.916) 1.661 5.287 ( 2.346 0.000 1.277) 2.671 5.372 ( 3.319 0.000 2.265) 4.018 5.979 ( -0.199 0.000 -0.246) 0.316 5.999 ( -0.611 0.000 1.210) 1.355 6.092 ( -0.669 0.000 -2.421) 2.511 6.153 ( 0.960 0.000 -0.221) 0.985 6.423 ( -5.117 0.000 -0.007) 5.117 6.469 ( -4.195 0.000 0.892) 4.288 6.494 ( -3.692 0.000 0.692) 3.757 6.636 ( -1.734 0.000 -2.164) 2.773 6.725 ( 3.373 0.000 1.051) 3.533 6.781 ( 5.945 0.000 -0.818) 6.001 6.786 ( 5.095 0.000 -0.581) 5.128 6.872 ( 0.315 0.000 0.637) 0.710 7.189 ( -1.749 0.000 0.344) 1.782 7.230 ( -2.766 0.000 -0.231) 2.775 7.295 ( -0.628 0.000 -0.756) 0.983 7.455 ( -0.536 0.000 0.424) 0.684 7.771 ( 3.844 0.000 1.186) 4.023 7.787 ( 3.801 0.000 2.525) 4.563 7.894 ( 0.193 0.000 -1.501) 1.513 7.961 ( 2.251 0.000 -1.730) 2.839 ======================= Grid point 76 (33/81) ======================= q-point: (-0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -10.302 0.000 9.677) 14.134 0.677 ( -19.402 0.000 -7.518) 20.808 0.930 ( -12.567 0.000 13.280) 18.283 1.038 ( -16.458 0.000 2.757) 16.687 1.158 ( -12.751 0.000 6.779) 14.441 1.247 ( -9.848 0.000 3.304) 10.387 1.429 ( -2.911 0.000 -4.682) 5.513 1.458 ( -2.621 0.000 -8.987) 9.361 1.482 ( -6.424 0.000 -1.441) 6.584 1.561 ( 2.753 0.000 2.504) 3.721 1.634 ( -2.438 0.000 2.740) 3.668 1.682 ( -5.665 0.000 2.070) 6.031 1.901 ( 1.191 0.000 -2.922) 3.155 1.997 ( -2.348 0.000 -1.668) 2.880 2.104 ( -3.066 0.000 -0.932) 3.205 2.208 ( -1.170 0.000 -3.828) 4.003 2.597 ( 2.469 0.000 -2.447) 3.476 2.608 ( 3.709 0.000 2.059) 4.242 2.622 ( 4.717 0.000 -5.263) 7.067 2.722 ( 3.661 0.000 1.705) 4.039 2.771 ( 3.695 0.000 -3.412) 5.030 2.810 ( 3.608 0.000 0.074) 3.608 2.914 ( 5.967 0.000 5.975) 8.444 2.966 ( 4.010 0.000 0.910) 4.112 3.035 ( 2.190 0.000 -1.885) 2.890 3.123 ( -0.414 0.000 1.627) 1.679 3.151 ( 0.936 0.000 2.207) 2.398 3.211 ( 3.564 0.000 0.464) 3.594 3.399 ( -4.191 0.000 -3.933) 5.748 3.520 ( -3.582 0.000 -2.981) 4.660 3.552 ( -1.084 0.000 -4.441) 4.571 3.552 ( -4.516 0.000 0.216) 4.521 3.678 ( -4.171 0.000 7.102) 8.236 3.783 ( -1.247 0.000 1.550) 1.989 3.891 ( 3.202 0.000 -0.029) 3.202 4.027 ( -0.871 0.000 1.192) 1.476 5.238 ( 1.800 0.000 2.604) 3.166 5.273 ( 1.034 0.000 0.228) 1.059 5.332 ( 1.779 0.000 0.692) 1.909 5.438 ( 2.012 0.000 2.338) 3.084 5.948 ( -2.964 0.000 -0.460) 3.000 5.987 ( -0.985 0.000 -0.420) 1.071 6.064 ( -0.732 0.000 -1.429) 1.605 6.184 ( 1.765 0.000 3.673) 4.075 6.336 ( -3.792 0.000 -0.794) 3.874 6.369 ( -5.033 0.000 -0.692) 5.080 6.437 ( -3.030 0.000 2.524) 3.944 6.532 ( -5.764 0.000 -6.252) 8.504 6.820 ( 4.843 0.000 0.364) 4.856 6.879 ( 4.915 0.000 -0.875) 4.993 6.892 ( 5.701 0.000 -0.784) 5.754 6.926 ( 4.223 0.000 0.374) 4.239 7.165 ( -0.837 0.000 0.105) 0.843 7.189 ( -1.605 0.000 -0.178) 1.615 7.288 ( 0.000 0.000 0.477) 0.477 7.449 ( -0.293 0.000 -0.112) 0.313 7.844 ( 3.028 0.000 0.770) 3.125 7.871 ( 3.104 0.000 2.832) 4.202 7.885 ( -0.080 0.000 -1.241) 1.243 7.991 ( 2.125 0.000 -1.908) 2.856 ======================= Grid point 77 (34/81) ======================= q-point: (-0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( -12.143 0.000 11.830) 16.953 0.383 ( -8.086 0.000 15.435) 17.425 0.756 ( -18.302 0.000 16.431) 24.596 0.822 ( -9.070 0.000 19.021) 21.073 0.985 ( -6.943 0.000 0.105) 6.943 1.143 ( -5.291 0.000 9.567) 10.933 1.343 ( -0.602 0.000 -11.600) 11.616 1.356 ( -4.259 0.000 -4.225) 5.999 1.380 ( -0.346 0.000 -9.075) 9.082 1.600 ( 0.052 0.000 -1.468) 1.469 1.612 ( -3.087 0.000 6.538) 7.230 1.657 ( 0.302 0.000 6.875) 6.881 1.866 ( -0.266 0.000 -10.125) 10.128 1.949 ( -0.018 0.000 -3.824) 3.824 2.041 ( -3.046 0.000 -0.260) 3.057 2.151 ( -0.694 0.000 -8.536) 8.564 2.615 ( 1.343 0.000 -2.736) 3.048 2.658 ( 1.706 0.000 -4.794) 5.088 2.664 ( 1.233 0.000 -1.018) 1.599 2.768 ( 0.173 0.000 1.546) 1.556 2.798 ( 1.406 0.000 -5.599) 5.773 2.881 ( 3.268 0.000 1.713) 3.689 3.006 ( 0.919 0.000 -1.685) 1.919 3.050 ( 3.722 0.000 5.609) 6.732 3.068 ( 1.271 0.000 -0.113) 1.276 3.115 ( -0.370 0.000 2.345) 2.374 3.139 ( -2.662 0.000 2.081) 3.378 3.208 ( -2.613 0.000 -2.296) 3.478 3.358 ( 1.879 0.000 -2.397) 3.046 3.434 ( -2.411 0.000 -4.359) 4.982 3.489 ( -3.418 0.000 1.968) 3.944 3.528 ( 0.173 0.000 -5.297) 5.300 3.634 ( -3.574 0.000 6.344) 7.282 3.807 ( 0.151 0.000 7.232) 7.233 3.934 ( 1.318 0.000 -0.533) 1.422 4.011 ( -0.871 0.000 -0.237) 0.903 5.297 ( 0.818 0.000 1.609) 1.805 5.348 ( 7.949 0.000 8.440) 11.595 5.362 ( 1.058 0.000 0.267) 1.091 5.471 ( -0.065 0.000 2.096) 2.097 5.878 ( -3.628 0.000 0.453) 3.656 5.962 ( -0.732 0.000 -1.540) 1.705 6.054 ( 0.185 0.000 -0.016) 0.186 6.230 ( -5.560 0.000 -3.354) 6.493 6.271 ( -1.924 0.000 -2.339) 3.029 6.297 ( -1.721 0.000 -1.789) 2.483 6.390 ( 0.796 0.000 0.683) 1.049 6.413 ( -1.713 0.000 3.819) 4.186 6.895 ( 2.939 0.000 -0.451) 2.973 6.945 ( 2.576 0.000 -1.215) 2.848 6.979 ( 3.637 0.000 -0.514) 3.673 7.004 ( 3.366 0.000 -0.243) 3.374 7.156 ( -0.162 0.000 -0.333) 0.371 7.164 ( -0.853 0.000 -0.295) 0.903 7.300 ( 0.404 0.000 1.852) 1.896 7.440 ( -0.336 0.000 -0.930) 0.989 7.880 ( 0.121 0.000 -0.580) 0.593 7.889 ( 1.357 0.000 -0.058) 1.358 7.931 ( 1.347 0.000 2.503) 2.843 8.017 ( 1.719 0.000 -1.698) 2.416 ======================= Grid point 78 (35/81) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -1.822 3.790 18.638) 19.106 0.540 ( -2.663 11.238 12.483) 17.006 0.662 ( -2.427 1.859 14.989) 15.298 0.888 ( -1.525 4.572 24.179) 24.655 0.963 ( 1.447 2.898 5.345) 6.250 1.167 ( 0.834 0.404 12.268) 12.303 1.212 ( -0.721 -3.412 -5.727) 6.705 1.293 ( 0.034 0.523 -10.281) 10.294 1.321 ( 0.931 -0.152 -11.789) 11.826 1.497 ( -1.785 -3.577 -5.952) 7.169 1.585 ( 0.057 -3.353 6.673) 7.468 1.690 ( 2.523 -4.673 9.628) 10.996 1.822 ( -0.947 1.907 -8.821) 9.074 1.940 ( 1.887 -0.266 -5.842) 6.145 2.010 ( 0.597 0.912 -8.761) 8.828 2.071 ( 0.513 -1.089 -10.401) 10.471 2.610 ( 0.513 -0.972 -2.915) 3.115 2.637 ( 3.115 -1.511 -4.033) 5.315 2.688 ( 0.068 2.216 -2.399) 3.267 2.721 ( -2.049 1.210 -3.095) 3.904 2.821 ( 1.041 -0.006 2.616) 2.815 2.913 ( 0.915 -2.450 2.774) 3.813 3.003 ( 0.599 0.419 -1.318) 1.507 3.029 ( -3.315 -1.103 4.303) 5.543 3.086 ( -4.168 -0.824 3.882) 5.755 3.113 ( -0.684 0.294 -3.274) 3.358 3.165 ( -0.380 1.858 -0.724) 2.030 3.192 ( 1.759 1.442 2.302) 3.236 3.365 ( 1.132 -0.423 -2.284) 2.584 3.396 ( -0.639 0.228 -2.376) 2.471 3.433 ( -2.545 -0.550 -0.127) 2.607 3.457 ( 1.129 -1.257 -0.524) 1.769 3.659 ( 0.226 1.221 9.051) 9.136 3.827 ( 0.701 -2.865 6.392) 7.040 3.953 ( -0.158 1.114 -1.126) 1.592 3.997 ( -0.295 -0.301 -0.030) 0.422 5.324 ( 0.347 0.370 2.873) 2.918 5.378 ( -0.170 0.517 0.155) 0.566 5.445 ( -1.522 -1.633 2.031) 3.018 5.517 ( 3.782 -6.116 4.064) 8.260 5.841 ( -2.594 -0.022 2.305) 3.471 5.877 ( -6.582 -2.137 6.013) 9.167 5.962 ( 0.613 1.332 -2.265) 2.699 6.069 ( 1.845 -0.867 0.307) 2.061 6.240 ( -0.007 0.488 -2.177) 2.231 6.278 ( 0.790 0.086 -1.750) 1.922 6.378 ( 2.249 -4.642 5.161) 7.297 6.406 ( 1.649 -5.338 4.794) 7.362 6.925 ( -0.096 0.141 -0.302) 0.346 6.960 ( 0.245 0.032 -1.572) 1.591 6.992 ( -0.406 -1.517 0.073) 1.572 7.011 ( -0.125 -0.727 -0.607) 0.955 7.191 ( 0.316 2.973 -0.412) 3.018 7.204 ( -0.386 3.146 -1.560) 3.533 7.314 ( 0.313 -0.834 2.372) 2.534 7.409 ( -0.545 -1.514 -1.624) 2.286 7.879 ( -0.272 -0.876 -0.281) 0.960 7.895 ( -0.195 -0.822 -0.528) 0.996 7.974 ( -0.152 2.106 -0.058) 2.113 8.031 ( 0.656 -0.138 -1.340) 1.498 ======================= Grid point 79 (36/81) ======================= q-point: ( 0.08 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 4.077 5.200 16.143) 17.443 0.611 ( 2.540 8.228 12.607) 15.267 0.796 ( 5.445 -0.410 10.600) 11.924 1.038 ( 6.311 1.989 -2.333) 7.016 1.120 ( 5.607 -0.149 11.884) 13.141 1.178 ( 2.845 2.656 -4.729) 6.125 1.254 ( 1.633 -3.305 1.791) 4.098 1.314 ( 4.840 -0.027 -1.693) 5.127 1.336 ( 7.477 1.471 8.129) 11.142 1.438 ( 0.377 -0.654 -6.151) 6.198 1.641 ( 1.350 -2.895 6.308) 7.071 1.746 ( -1.156 1.832 -7.353) 7.666 1.819 ( 3.924 -4.991 9.843) 11.713 1.929 ( 0.427 -0.546 -5.590) 5.633 1.982 ( 3.907 -0.833 -14.774) 15.304 2.050 ( 5.286 -0.933 -12.156) 13.289 2.578 ( -1.913 0.005 -2.858) 3.439 2.619 ( -1.054 -0.373 -4.708) 4.839 2.687 ( 0.811 1.332 0.379) 1.605 2.756 ( 4.267 -0.662 -3.370) 5.477 2.852 ( 0.222 0.032 3.123) 3.131 2.923 ( -1.433 -2.058 1.442) 2.893 2.954 ( -5.710 -0.189 2.197) 6.121 2.977 ( -3.497 0.105 -1.102) 3.668 3.022 ( -2.734 0.159 3.363) 4.337 3.103 ( 0.585 -0.491 -0.014) 0.764 3.176 ( 1.446 2.052 0.050) 2.511 3.225 ( -1.533 1.334 4.343) 4.795 3.362 ( -3.247 -0.837 -1.242) 3.576 3.369 ( 2.140 -1.234 -4.751) 5.355 3.410 ( 1.668 1.588 -1.591) 2.799 3.520 ( 4.428 -1.058 -0.730) 4.611 3.742 ( 2.285 0.855 8.620) 8.958 3.867 ( 0.610 -2.533 1.499) 3.005 3.947 ( 0.274 1.261 0.570) 1.411 3.989 ( -0.792 -0.451 0.162) 0.926 5.337 ( -0.813 0.639 2.748) 2.937 5.362 ( -1.361 0.196 -0.491) 1.460 5.403 ( -3.352 -0.636 0.636) 3.471 5.482 ( -6.010 -3.095 5.640) 8.804 5.862 ( 3.179 0.736 1.452) 3.572 5.943 ( 4.272 -1.210 0.427) 4.461 5.978 ( 3.207 1.603 -2.047) 4.129 6.134 ( 3.330 -1.130 3.451) 4.927 6.252 ( 3.504 0.020 -2.920) 4.561 6.303 ( 2.855 0.552 -1.297) 3.185 6.364 ( -2.280 -2.103 1.013) 3.263 6.508 ( 3.639 -7.100 0.901) 8.029 6.894 ( -3.141 -0.246 0.286) 3.163 6.929 ( -2.599 -0.047 -1.425) 2.964 6.949 ( -3.768 -0.762 -0.477) 3.874 6.978 ( -3.077 -0.733 -0.224) 3.171 7.185 ( -0.348 3.059 -0.635) 3.144 7.199 ( 0.639 2.930 -0.195) 3.005 7.333 ( 0.097 -0.967 2.717) 2.886 7.385 ( -0.662 -1.453 -2.158) 2.685 7.858 ( -1.679 -0.728 0.112) 1.833 7.877 ( -1.327 -1.153 0.288) 1.781 7.959 ( -1.268 2.021 0.272) 2.401 8.024 ( -0.505 -0.241 -1.314) 1.428 ======================= Grid point 80 (37/81) ======================= q-point: ( 0.15 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 7.655 5.868 10.121) 13.981 0.831 ( 10.553 2.681 12.318) 16.441 0.974 ( 7.891 1.192 4.053) 8.951 1.116 ( 4.811 2.196 -15.178) 16.073 1.130 ( 6.661 0.537 -3.658) 7.618 1.296 ( 4.667 -1.716 -4.288) 6.566 1.366 ( 4.235 -3.014 -2.298) 5.683 1.397 ( 5.601 -1.452 5.740) 8.150 1.479 ( 5.312 0.941 6.137) 8.171 1.612 ( 8.638 -0.037 14.124) 16.556 1.702 ( 0.796 1.576 -4.639) 4.964 1.722 ( 3.918 -0.104 9.115) 9.922 1.854 ( -0.507 -0.802 -4.922) 5.012 1.970 ( 5.166 -2.526 -8.008) 9.859 2.003 ( 4.894 -1.762 0.799) 5.263 2.096 ( 7.086 -1.504 -12.517) 14.462 2.525 ( -2.669 0.214 -0.480) 2.720 2.568 ( -1.687 -0.183 -2.280) 2.843 2.698 ( -0.760 1.135 0.320) 1.403 2.763 ( -1.820 0.163 -2.230) 2.883 2.829 ( -4.826 -1.231 0.739) 5.035 2.865 ( -2.083 -0.648 0.618) 2.267 2.906 ( -1.370 -0.233 -0.119) 1.395 2.929 ( -2.759 0.181 2.712) 3.873 3.004 ( -0.628 0.814 2.464) 2.670 3.108 ( -0.975 -0.655 1.664) 2.037 3.174 ( -4.005 1.317 0.656) 4.267 3.216 ( -1.287 1.245 6.321) 6.570 3.277 ( -2.944 -0.042 -3.849) 4.846 3.396 ( 2.764 -1.837 -2.968) 4.453 3.432 ( 1.755 2.501 -3.036) 4.307 3.590 ( 3.477 -1.015 -1.714) 4.007 3.827 ( 1.493 -0.732 4.784) 5.064 3.873 ( 1.089 -1.769 -2.679) 3.390 3.965 ( -0.532 0.540 1.321) 1.523 3.978 ( 0.333 0.624 1.971) 2.094 5.321 ( -2.705 -0.123 0.259) 2.720 5.328 ( -2.082 -0.043 -0.216) 2.094 5.338 ( -2.649 0.482 0.471) 2.733 5.415 ( -4.545 -1.241 4.419) 6.460 5.931 ( 2.992 0.963 0.444) 3.174 5.965 ( 0.071 1.731 -1.092) 2.047 6.059 ( 4.197 -1.309 -1.396) 4.612 6.202 ( -0.222 -2.070 3.496) 4.069 6.338 ( 3.839 -0.623 -0.950) 4.003 6.352 ( 5.956 -1.340 0.052) 6.105 6.381 ( 5.594 1.669 -1.106) 5.942 6.561 ( 2.876 -3.049 -2.966) 5.135 6.818 ( -5.124 -0.272 1.467) 5.337 6.848 ( -4.988 -0.445 -0.699) 5.056 6.860 ( -4.590 0.136 -1.144) 4.732 6.898 ( -5.025 -0.616 0.192) 5.066 7.187 ( 0.765 2.161 -0.026) 2.292 7.215 ( 1.107 2.798 -0.075) 3.010 7.351 ( 0.007 -1.416 1.383) 1.979 7.364 ( 0.036 -1.029 -1.125) 1.525 7.822 ( -2.368 -0.555 0.933) 2.605 7.850 ( -2.134 -1.747 1.234) 3.021 7.935 ( -1.352 2.007 -0.136) 2.424 7.995 ( -1.616 -0.030 -1.735) 2.371 ======================= Grid point 81 (38/81) ======================= q-point: ( 0.23 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 9.562 2.454 7.428) 12.355 1.082 ( 8.412 3.595 -0.984) 9.201 1.139 ( 10.744 1.125 1.824) 10.955 1.159 ( 7.722 2.545 -8.519) 11.776 1.282 ( 9.086 0.396 3.312) 9.679 1.375 ( 5.055 -2.270 -0.168) 5.544 1.395 ( 5.154 -2.171 -8.906) 10.517 1.514 ( 2.544 -3.136 1.627) 4.354 1.627 ( 4.917 0.807 7.529) 9.029 1.712 ( 2.474 1.089 -2.187) 3.477 1.768 ( 3.321 -1.250 8.815) 9.502 1.809 ( 1.165 -0.434 -2.395) 2.698 1.956 ( 7.108 0.799 10.213) 12.469 2.009 ( 6.217 -0.276 -11.174) 12.790 2.080 ( 2.765 -2.896 -2.558) 4.752 2.166 ( 5.173 -0.170 -3.327) 6.153 2.464 ( -3.179 0.040 -0.389) 3.203 2.541 ( -0.193 -1.346 -0.960) 1.664 2.640 ( -4.957 1.219 -1.149) 5.232 2.698 ( -3.069 0.625 -0.339) 3.150 2.743 ( -4.763 -0.780 -0.614) 4.865 2.817 ( -2.585 -1.857 -1.632) 3.577 2.869 ( -3.323 0.659 -0.745) 3.468 2.880 ( -3.083 0.619 1.550) 3.506 3.024 ( -0.697 0.225 3.121) 3.206 3.059 ( -4.958 0.807 0.144) 5.025 3.109 ( -2.439 0.264 1.975) 3.149 3.136 ( -6.859 -0.072 1.140) 6.953 3.291 ( 2.216 1.502 2.661) 3.775 3.424 ( 1.625 -0.028 -1.463) 2.186 3.449 ( 1.762 1.232 -0.468) 2.200 3.627 ( 1.902 -0.961 -2.478) 3.268 3.834 ( -0.829 -1.571 -0.998) 2.037 3.898 ( 2.185 -1.070 -1.259) 2.739 3.947 ( -1.456 1.261 0.254) 1.943 4.019 ( 1.684 0.088 2.601) 3.100 5.253 ( -3.444 0.186 -0.828) 3.547 5.276 ( -2.415 -0.281 -1.330) 2.771 5.311 ( -1.941 0.453 1.452) 2.466 5.358 ( -3.924 -0.606 2.795) 4.856 5.951 ( -0.566 1.612 -0.468) 1.772 5.978 ( 1.442 1.198 0.599) 1.968 6.101 ( 1.458 -1.739 -1.772) 2.879 6.162 ( -3.385 -2.329 -0.138) 4.111 6.450 ( 6.614 0.169 1.272) 6.737 6.481 ( 5.883 1.415 -0.023) 6.051 6.509 ( 7.030 -0.764 1.585) 7.247 6.571 ( -0.280 -0.536 -3.173) 3.230 6.734 ( -4.256 -0.091 0.673) 4.310 6.760 ( -2.289 -0.715 -0.920) 2.569 6.774 ( -3.639 0.303 -0.707) 3.719 6.806 ( -4.554 -0.490 1.111) 4.713 7.212 ( 1.795 1.338 0.233) 2.251 7.242 ( 1.882 2.298 -0.131) 2.973 7.345 ( 0.593 -1.233 -2.438) 2.796 7.380 ( 0.375 -0.959 2.181) 2.412 7.786 ( -2.279 -0.585 2.159) 3.193 7.814 ( -2.544 -1.617 1.963) 3.598 7.903 ( -1.594 1.758 -1.170) 2.645 7.943 ( -2.348 0.459 -2.494) 3.456 ======================= Grid point 82 (39/81) ======================= q-point: ( 0.31 0.20 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 6.764 2.016 -6.606) 9.667 1.220 ( 7.927 2.274 0.887) 8.294 1.281 ( 8.354 2.359 0.416) 8.690 1.376 ( 8.770 -1.084 4.156) 9.765 1.424 ( 3.471 -2.435 -0.975) 4.351 1.473 ( 7.526 0.688 1.918) 7.797 1.520 ( 7.149 -1.097 1.554) 7.398 1.545 ( 4.050 -2.105 -2.949) 5.434 1.725 ( 1.242 0.438 1.476) 1.979 1.767 ( 3.768 1.974 4.200) 5.978 1.823 ( 1.595 -1.196 0.684) 2.108 1.894 ( 2.588 -0.947 7.785) 8.258 2.048 ( 3.306 -1.425 -4.653) 5.883 2.051 ( 2.783 -2.177 -6.751) 7.619 2.142 ( 3.498 1.153 1.915) 4.151 2.221 ( 1.449 1.456 -0.030) 2.054 2.411 ( -2.048 -0.573 -0.574) 2.203 2.515 ( -4.535 -0.092 -1.161) 4.682 2.548 ( -1.306 -1.263 -1.800) 2.557 2.622 ( -5.840 -0.710 -1.531) 6.079 2.654 ( -2.149 0.253 -1.475) 2.619 2.743 ( -4.180 -1.408 -1.651) 4.710 2.797 ( -2.643 0.384 -4.358) 5.111 2.817 ( -3.204 0.539 -0.908) 3.374 2.928 ( -5.220 1.315 -1.206) 5.517 3.005 ( -6.538 -0.558 -0.874) 6.620 3.038 ( -2.356 0.652 2.276) 3.340 3.075 ( -2.891 0.458 1.829) 3.451 3.354 ( 1.770 1.490 4.816) 5.343 3.459 ( 2.039 0.268 2.203) 3.013 3.493 ( 1.713 0.840 3.775) 4.230 3.638 ( 0.798 -1.227 -1.317) 1.969 3.814 ( -0.221 -0.337 -1.473) 1.527 3.910 ( -1.414 3.083 -0.627) 3.450 3.933 ( 1.696 -1.730 -1.992) 3.136 4.061 ( 1.447 -1.039 1.134) 2.112 5.191 ( -2.617 0.372 -0.524) 2.694 5.222 ( -2.455 -0.305 -0.850) 2.616 5.279 ( -2.153 0.220 0.696) 2.273 5.302 ( -3.398 -0.290 1.447) 3.705 5.940 ( -0.472 1.316 0.327) 1.436 5.999 ( 0.213 1.194 1.101) 1.638 6.089 ( -2.205 -2.070 -1.132) 3.229 6.115 ( -0.268 -1.120 -1.022) 1.540 6.488 ( -3.568 0.320 0.345) 3.599 6.525 ( -2.160 -0.445 -0.300) 2.225 6.576 ( 1.883 0.965 0.021) 2.116 6.622 ( 2.395 -0.129 1.440) 2.798 6.699 ( 1.871 0.401 -1.476) 2.417 6.728 ( 0.198 0.276 0.438) 0.554 6.757 ( 2.009 -0.304 -2.724) 3.398 6.783 ( 1.561 -0.580 3.451) 3.832 7.258 ( 2.580 0.752 0.876) 2.827 7.284 ( 2.821 1.395 -0.766) 3.239 7.350 ( 1.534 -0.698 -2.481) 2.999 7.396 ( 0.033 -0.836 1.654) 1.853 7.762 ( -1.999 -0.845 2.646) 3.422 7.780 ( -2.311 -1.424 1.924) 3.327 7.861 ( -1.837 1.725 -1.633) 3.003 7.882 ( -2.172 1.087 -2.753) 3.671 ======================= Grid point 83 (40/81) ======================= q-point: ( 0.38 0.20 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 6.679 1.337 -6.294) 9.274 1.351 ( 4.579 0.972 0.396) 4.698 1.423 ( 3.111 -0.570 4.955) 5.878 1.452 ( 2.735 -0.935 -1.172) 3.119 1.517 ( 5.080 -0.706 0.185) 5.132 1.612 ( 5.306 -0.184 2.718) 5.964 1.636 ( 4.628 -0.531 3.946) 6.105 1.674 ( 5.491 -0.221 2.241) 5.935 1.747 ( 1.130 -0.518 0.920) 1.546 1.837 ( -1.100 -2.919 1.403) 3.420 1.865 ( 3.540 2.096 3.687) 5.524 1.956 ( 0.641 0.565 3.846) 3.940 2.059 ( 2.419 -2.297 -2.808) 4.360 2.096 ( 4.449 -1.179 -5.542) 7.203 2.205 ( 2.494 1.407 1.167) 3.092 2.221 ( -0.518 2.783 -0.369) 2.855 2.368 ( -2.717 -0.543 -0.162) 2.775 2.405 ( -5.336 0.490 -1.747) 5.636 2.478 ( -5.462 -1.607 -1.870) 5.993 2.510 ( -4.742 -1.055 -2.094) 5.290 2.617 ( -0.946 -0.697 -2.123) 2.427 2.662 ( -2.283 -0.509 -2.675) 3.554 2.725 ( 0.005 -0.867 -5.736) 5.802 2.781 ( -0.104 0.600 -2.086) 2.173 2.852 ( -2.719 1.258 0.138) 2.999 2.878 ( -5.509 -1.292 -2.448) 6.165 2.982 ( -3.455 1.747 -1.018) 4.003 3.019 ( -3.526 0.304 -0.458) 3.568 3.412 ( 0.997 1.750 5.226) 5.601 3.514 ( 0.838 -0.533 5.514) 5.602 3.551 ( 1.029 1.550 4.091) 4.495 3.655 ( 1.085 -1.918 2.545) 3.366 3.811 ( 0.829 1.294 -1.352) 2.046 3.876 ( -1.379 2.712 -1.245) 3.287 3.951 ( 1.373 -0.893 -2.350) 2.864 4.084 ( 0.787 -1.629 -0.800) 1.977 5.149 ( -1.650 0.362 0.030) 1.689 5.177 ( -1.798 -0.282 -0.077) 1.822 5.240 ( -1.995 0.094 -0.232) 2.010 5.250 ( -2.486 -0.160 0.318) 2.511 5.938 ( -0.137 0.969 1.015) 1.410 6.001 ( -0.722 1.256 1.380) 2.001 6.044 ( -1.698 -1.287 -0.406) 2.169 6.109 ( -0.074 -1.055 -0.838) 1.349 6.416 ( -3.579 0.312 1.381) 3.849 6.472 ( -2.864 -1.011 0.958) 3.185 6.561 ( -1.363 0.934 -1.334) 2.124 6.614 ( -1.301 -0.303 -1.680) 2.146 6.753 ( 3.573 0.504 -2.422) 4.346 6.783 ( 2.183 0.630 -0.687) 2.374 6.789 ( 3.212 0.483 1.108) 3.432 6.858 ( 2.489 -0.498 3.641) 4.439 7.315 ( 2.288 0.338 1.913) 3.001 7.337 ( 3.448 0.446 -1.667) 3.856 7.370 ( 2.002 -0.167 -2.103) 2.908 7.398 ( -0.676 -0.579 0.606) 1.077 7.738 ( -1.958 -1.069 1.631) 2.763 7.751 ( -1.739 -1.444 1.290) 2.602 7.821 ( -1.279 1.892 -1.122) 2.545 7.836 ( -1.091 1.548 -1.691) 2.539 ======================= Grid point 84 (41/81) ======================= q-point: ( 0.46 0.20 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 5.574 -0.608 -1.484) 5.800 1.397 ( 1.724 1.299 -0.501) 2.216 1.456 ( 0.854 -2.590 0.207) 2.735 1.521 ( 0.627 -0.431 -0.054) 0.763 1.590 ( 3.641 1.059 4.021) 5.527 1.670 ( -1.671 -0.113 2.061) 2.655 1.704 ( 0.475 -0.797 4.480) 4.575 1.752 ( 0.493 -3.376 -0.374) 3.432 1.798 ( 1.445 -0.439 2.947) 3.312 1.820 ( -0.296 -1.751 4.067) 4.438 1.930 ( 1.491 2.142 1.774) 3.156 1.969 ( -1.433 2.275 0.904) 2.836 2.100 ( 3.669 -0.246 -2.458) 4.423 2.155 ( 4.144 -1.428 -2.728) 5.163 2.208 ( 0.913 2.003 -2.196) 3.109 2.272 ( -0.357 1.216 2.165) 2.509 2.295 ( -2.276 -0.261 -2.385) 3.307 2.315 ( -1.465 0.238 1.154) 1.880 2.383 ( -3.175 -1.420 -2.172) 4.100 2.397 ( -5.022 -0.569 -0.957) 5.144 2.590 ( -0.361 -0.817 -2.716) 2.859 2.635 ( 1.304 -0.373 -3.248) 3.520 2.722 ( 1.868 -2.489 -4.022) 5.085 2.772 ( -2.208 -1.955 -3.712) 4.741 2.780 ( 0.037 1.216 -0.293) 1.251 2.827 ( -0.094 0.684 -0.434) 0.816 2.915 ( -2.238 2.234 -2.281) 3.899 2.948 ( -2.428 0.532 -2.858) 3.788 3.455 ( 0.341 2.025 4.649) 5.082 3.553 ( -0.639 -0.124 6.452) 6.485 3.567 ( -0.575 1.774 1.604) 2.460 3.713 ( 1.536 -2.099 6.272) 6.790 3.824 ( 0.648 0.723 -1.473) 1.764 3.845 ( -0.536 3.116 -0.885) 3.284 3.953 ( 0.538 -0.497 -2.682) 2.780 4.080 ( -0.146 -1.706 -2.731) 3.223 5.130 ( -0.442 0.334 0.567) 0.792 5.157 ( -0.471 -0.262 0.625) 0.826 5.204 ( -1.233 0.093 -1.110) 1.662 5.215 ( -1.145 -0.178 -0.522) 1.271 5.947 ( 0.164 0.700 1.749) 1.891 5.991 ( -1.019 1.347 0.961) 1.943 6.026 ( -0.142 -0.918 0.330) 0.986 6.099 ( -0.251 -1.013 -1.140) 1.545 6.382 ( -1.182 0.370 2.401) 2.701 6.443 ( -0.915 -1.098 1.623) 2.163 6.534 ( -0.455 0.742 -1.612) 1.832 6.579 ( -0.682 -0.394 -2.942) 3.046 6.787 ( 1.762 0.622 -2.213) 2.896 6.805 ( 0.059 0.670 -0.377) 0.771 6.852 ( 2.440 0.573 1.720) 3.040 6.898 ( -0.285 -0.083 2.220) 2.240 7.352 ( 0.370 -0.332 1.030) 1.143 7.369 ( -1.558 -0.686 0.579) 1.798 7.396 ( 2.478 0.502 -1.939) 3.186 7.400 ( 2.614 0.375 -1.808) 3.200 7.711 ( -2.196 -0.885 1.859) 3.010 7.728 ( -1.846 -1.359 1.479) 2.728 7.805 ( 0.461 1.790 -0.906) 2.059 7.821 ( 0.687 1.430 -1.469) 2.162 ======================= Grid point 85 (42/81) ======================= q-point: (-0.46 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -3.482 -0.750 0.338) 3.578 1.401 ( -4.870 -2.322 -1.781) 5.682 1.484 ( 5.791 0.959 1.465) 6.050 1.559 ( 3.650 -1.499 -5.125) 6.468 1.623 ( -2.325 0.096 4.371) 4.952 1.682 ( -1.700 -0.359 2.565) 3.098 1.699 ( 0.306 0.548 5.020) 5.059 1.736 ( -1.041 -1.386 0.913) 1.959 1.778 ( -3.276 -1.255 3.364) 4.860 1.864 ( -2.001 -0.095 7.652) 7.910 1.914 ( -4.192 1.589 0.915) 4.576 1.941 ( -1.892 0.600 0.812) 2.144 2.114 ( -6.785 1.148 -6.390) 9.391 2.131 ( -0.177 1.397 -1.288) 1.908 2.208 ( 2.360 -0.933 -1.735) 3.074 2.249 ( -0.193 0.433 0.498) 0.688 2.305 ( -1.888 -1.460 0.201) 2.395 2.340 ( 1.962 -0.426 -0.899) 2.200 2.349 ( 5.120 -0.453 0.028) 5.140 2.390 ( 4.676 0.463 -3.520) 5.871 2.570 ( -0.135 -0.141 -2.092) 2.102 2.656 ( 2.353 -0.608 -3.031) 3.885 2.689 ( -1.505 -2.756 -4.107) 5.170 2.760 ( 2.312 -1.271 -3.401) 4.305 2.808 ( 1.913 0.396 2.222) 2.959 2.847 ( 2.523 0.259 0.015) 2.537 2.864 ( -1.036 1.874 -4.225) 4.737 2.913 ( 0.971 0.889 -3.119) 3.385 3.484 ( 0.026 2.155 3.798) 4.367 3.573 ( 0.271 2.386 2.325) 3.342 3.577 ( -1.238 0.284 7.729) 7.833 3.774 ( 0.640 -1.666 6.070) 6.327 3.795 ( -0.836 0.590 -3.746) 3.883 3.858 ( 0.473 1.339 0.803) 1.631 3.942 ( 0.139 -0.217 -2.182) 2.197 4.045 ( -1.172 -1.446 -4.350) 4.732 5.141 ( 0.942 0.361 1.181) 1.553 5.169 ( 1.236 -0.275 1.068) 1.656 5.183 ( -0.076 0.183 -1.559) 1.571 5.202 ( 0.268 -0.256 -1.122) 1.181 5.963 ( 0.122 0.632 1.885) 1.992 5.981 ( -0.319 1.460 0.872) 1.730 6.042 ( 1.390 -0.948 0.690) 1.819 6.092 ( 0.479 -1.111 -1.534) 1.954 6.398 ( 0.875 0.421 2.974) 3.129 6.454 ( 0.856 -0.890 1.945) 2.304 6.526 ( 0.764 0.423 -2.093) 2.268 6.556 ( 0.452 -0.399 -3.311) 3.366 6.769 ( -2.789 0.931 -1.175) 3.167 6.800 ( -0.000 0.408 -0.623) 0.744 6.875 ( -2.348 0.501 1.007) 2.604 6.904 ( 1.052 0.157 2.073) 2.330 7.323 ( -2.673 -0.139 0.267) 2.690 7.354 ( -0.681 -0.961 -0.065) 1.179 7.420 ( 0.800 0.689 -1.277) 1.657 7.440 ( 2.140 0.334 -1.300) 2.526 7.673 ( -2.678 -0.382 1.635) 3.161 7.694 ( -2.396 -0.886 0.997) 2.742 7.828 ( 2.185 1.311 -0.648) 2.629 7.848 ( 2.623 0.807 -0.781) 2.853 ======================= Grid point 86 (43/81) ======================= q-point: (-0.38 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -10.210 0.582 -4.158) 11.040 1.354 ( -0.495 -3.223 0.163) 3.264 1.484 ( -5.643 1.461 -1.287) 5.970 1.574 ( -0.917 1.724 3.399) 3.920 1.586 ( -4.810 -0.969 -3.084) 5.795 1.682 ( -0.268 -1.569 3.349) 3.708 1.720 ( -3.207 -0.432 3.509) 4.774 1.721 ( -4.029 -1.209 5.945) 7.282 1.768 ( 0.527 1.861 8.785) 8.995 1.821 ( -5.570 0.254 0.671) 5.616 1.848 ( -4.493 0.453 2.530) 5.176 1.877 ( -4.183 -1.423 0.931) 4.515 1.925 ( -6.936 2.343 -5.847) 9.370 2.110 ( -5.056 -2.103 -2.699) 6.105 2.158 ( 0.442 1.534 -1.912) 2.491 2.249 ( 0.821 -2.022 -2.487) 3.309 2.348 ( 3.341 0.763 1.387) 3.697 2.413 ( 5.405 -0.702 -1.888) 5.769 2.447 ( 4.881 -0.314 -1.185) 5.032 2.453 ( 4.715 0.377 -4.529) 6.549 2.565 ( 1.257 0.123 -1.633) 2.064 2.651 ( 0.657 -3.607 -3.529) 5.089 2.676 ( 1.911 0.851 -3.554) 4.124 2.778 ( 0.972 -0.008 -2.365) 2.557 2.852 ( 3.434 0.392 -3.453) 4.886 2.882 ( 3.900 0.201 3.335) 5.135 2.916 ( 4.007 0.542 -0.180) 4.047 2.942 ( 3.604 0.749 -0.928) 3.797 3.505 ( -0.401 2.101 4.013) 4.547 3.603 ( -0.151 1.384 5.778) 5.944 3.612 ( 0.323 1.280 6.941) 7.066 3.749 ( -1.321 1.027 -3.723) 4.082 3.809 ( -0.617 -1.974 2.548) 3.282 3.847 ( -0.612 -0.288 -3.117) 3.190 3.950 ( 0.790 -0.341 2.229) 2.390 3.983 ( -2.062 -0.709 -5.395) 5.819 5.179 ( 1.951 0.411 1.327) 2.395 5.182 ( 1.070 0.324 -1.383) 1.778 5.209 ( 1.282 -0.347 -1.313) 1.868 5.216 ( 2.695 -0.332 1.412) 3.060 5.971 ( 0.392 1.108 0.134) 1.183 5.993 ( 0.158 1.060 2.411) 2.639 6.077 ( 1.695 -1.054 0.186) 2.004 6.101 ( 1.437 -1.269 -1.557) 2.470 6.444 ( 1.930 0.423 2.387) 3.099 6.497 ( 2.416 -0.800 1.583) 2.997 6.533 ( 1.576 0.279 -2.241) 2.754 6.561 ( 1.543 -0.402 -2.211) 2.726 6.696 ( -3.465 1.108 -0.970) 3.765 6.770 ( -2.887 -0.960 -0.177) 3.047 6.830 ( -2.591 2.037 0.600) 3.350 6.919 ( -1.100 -0.380 2.020) 2.331 7.275 ( -2.511 0.329 0.426) 2.568 7.334 ( -1.198 -0.978 -0.598) 1.658 7.395 ( -2.735 1.084 -1.039) 3.120 7.460 ( 0.378 -0.467 -0.379) 0.710 7.652 ( 0.171 -0.195 1.015) 1.047 7.668 ( -0.252 -0.582 0.570) 0.853 7.870 ( 2.422 1.088 -0.624) 2.727 7.895 ( 2.511 0.505 -0.567) 2.623 ======================= Grid point 87 (44/81) ======================= q-point: (-0.31 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -11.165 4.005 -2.530) 12.128 1.335 ( -8.217 2.249 -1.184) 8.602 1.357 ( -2.345 -4.727 1.117) 5.394 1.424 ( -8.494 0.196 -2.004) 8.730 1.517 ( -8.098 2.167 0.311) 8.389 1.584 ( -9.732 -1.379 6.276) 11.662 1.618 ( -7.913 -0.663 -0.704) 7.972 1.660 ( -7.705 0.559 1.619) 7.893 1.714 ( -7.357 -0.001 -1.480) 7.504 1.735 ( -6.240 0.569 -1.548) 6.454 1.746 ( -3.499 0.060 1.426) 3.779 1.861 ( 1.916 0.866 4.467) 4.937 1.900 ( -0.732 -0.661 6.295) 6.372 1.956 ( -5.370 -2.100 -5.389) 7.892 2.184 ( 1.525 0.503 -1.815) 2.423 2.250 ( 0.281 -1.984 -2.004) 2.834 2.417 ( 3.455 0.542 1.639) 3.863 2.494 ( 4.130 -1.083 -2.587) 4.992 2.502 ( 4.747 -0.119 -3.558) 5.934 2.529 ( 3.704 -0.485 -1.890) 4.186 2.619 ( 4.957 -0.299 0.517) 4.993 2.674 ( 3.571 -1.927 -3.350) 5.262 2.708 ( 3.615 1.943 -1.555) 4.389 2.793 ( 2.988 1.129 -2.104) 3.825 2.931 ( 5.028 -1.008 -0.531) 5.155 2.978 ( 4.640 -0.116 -0.216) 4.647 2.999 ( 4.759 0.977 2.722) 5.569 3.028 ( 4.429 0.826 1.562) 4.768 3.514 ( -1.443 1.798 3.946) 4.570 3.634 ( -0.862 0.248 6.785) 6.844 3.649 ( -1.513 1.053 5.503) 5.804 3.694 ( -2.427 0.219 -3.371) 4.159 3.778 ( -1.439 -1.598 -3.651) 4.237 3.811 ( -1.014 -0.576 -4.272) 4.428 3.912 ( -1.801 0.723 -4.189) 4.617 3.985 ( 0.556 -1.085 3.812) 4.002 5.193 ( 1.300 0.367 -1.462) 1.990 5.228 ( 1.578 -0.394 -1.398) 2.145 5.236 ( 2.608 0.567 1.732) 3.182 5.286 ( 3.430 -0.538 1.870) 3.944 5.983 ( 0.670 1.069 -0.156) 1.271 6.008 ( -0.177 1.003 2.029) 2.270 6.096 ( 0.544 -1.043 -1.279) 1.738 6.121 ( 1.508 -1.345 -1.354) 2.432 6.482 ( -0.003 -0.068 1.062) 1.064 6.519 ( -1.898 -0.554 -1.713) 2.616 6.548 ( -1.161 0.842 0.115) 1.439 6.585 ( 3.800 -0.066 1.885) 4.242 6.685 ( 3.432 0.188 -0.781) 3.525 6.729 ( 0.091 -0.624 -0.334) 0.713 6.771 ( -3.903 1.823 -0.017) 4.307 6.885 ( -3.170 -1.173 1.082) 3.549 7.234 ( -2.072 0.825 0.500) 2.285 7.301 ( -2.134 -0.451 -0.633) 2.272 7.327 ( -2.754 1.292 -1.040) 3.215 7.452 ( -0.872 -1.276 0.244) 1.564 7.690 ( 2.855 -0.388 1.064) 3.072 7.700 ( 2.666 -0.641 1.420) 3.088 7.903 ( 1.561 1.170 -1.046) 2.213 7.934 ( 2.145 0.454 -1.100) 2.453 ======================= Grid point 88 (45/81) ======================= q-point: (-0.23 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -9.805 7.867 2.150) 12.753 1.123 ( -14.368 3.612 -9.650) 17.680 1.142 ( -12.677 1.879 4.339) 13.531 1.312 ( -11.432 0.588 0.616) 11.464 1.351 ( -12.096 -3.272 5.217) 13.573 1.438 ( -9.659 -0.470 -0.754) 9.700 1.448 ( -2.936 -2.676 5.114) 6.475 1.526 ( -6.756 -0.540 -0.129) 6.779 1.574 ( -6.399 0.342 -0.298) 6.415 1.606 ( -5.116 0.409 -3.637) 6.290 1.682 ( -4.177 -0.976 0.257) 4.297 1.776 ( -6.885 -3.161 -3.757) 8.456 1.900 ( 0.666 1.479 2.410) 2.905 1.993 ( 1.430 -0.479 4.900) 5.127 2.169 ( -1.390 0.148 -3.026) 3.333 2.228 ( -0.954 -1.572 -2.308) 2.951 2.502 ( 4.206 -0.496 1.398) 4.460 2.556 ( 4.283 0.277 -1.815) 4.659 2.565 ( 3.688 -0.317 -3.621) 5.178 2.609 ( 5.359 -1.028 1.544) 5.671 2.719 ( 4.682 -0.715 -0.862) 4.814 2.723 ( 3.583 -0.766 -2.765) 4.590 2.800 ( 5.731 2.518 2.028) 6.580 2.874 ( 5.585 0.915 0.370) 5.671 3.006 ( 3.289 0.073 -1.162) 3.489 3.069 ( 4.459 -0.236 1.502) 4.711 3.101 ( 2.997 0.394 2.975) 4.241 3.121 ( 4.703 0.542 1.463) 4.955 3.491 ( -3.029 1.205 1.328) 3.520 3.602 ( -4.645 -0.575 0.486) 4.706 3.610 ( -2.676 0.074 -4.869) 5.556 3.657 ( -3.342 -0.900 6.132) 7.041 3.688 ( -3.831 -0.125 -2.170) 4.404 3.786 ( -0.327 -1.979 -4.356) 4.796 3.883 ( 0.829 2.528 -0.560) 2.719 4.011 ( -0.016 -1.196 2.952) 3.185 5.211 ( 1.270 0.414 -0.515) 1.432 5.249 ( 1.367 -0.420 -0.858) 1.668 5.294 ( 2.350 0.654 1.338) 2.782 5.362 ( 3.125 -0.879 2.143) 3.890 5.986 ( -0.469 0.690 -0.297) 0.885 6.012 ( -0.351 1.151 1.115) 1.640 6.082 ( -0.634 -0.895 -2.422) 2.659 6.139 ( 0.924 -1.328 -0.162) 1.626 6.426 ( -4.722 0.225 0.414) 4.746 6.453 ( -4.450 -0.830 0.742) 4.587 6.514 ( -3.985 1.388 0.471) 4.246 6.620 ( -3.211 -1.503 -1.983) 4.063 6.738 ( 2.975 1.113 0.757) 3.265 6.776 ( 5.772 -0.379 -0.818) 5.842 6.783 ( 5.095 -0.159 -0.500) 5.122 6.851 ( 0.383 -1.662 0.712) 1.848 7.204 ( -1.337 1.274 0.246) 1.863 7.252 ( -2.177 1.752 -0.045) 2.794 7.291 ( -0.823 -0.132 -0.821) 1.169 7.439 ( -0.561 -1.547 0.383) 1.689 7.761 ( 3.518 -0.775 1.228) 3.806 7.771 ( 3.347 -1.147 2.096) 4.112 7.918 ( 0.903 1.783 -1.188) 2.325 7.965 ( 2.094 0.297 -1.591) 2.647 ======================= Grid point 89 (46/81) ======================= q-point: (-0.15 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -9.746 9.161 5.186) 14.345 0.774 ( -15.148 8.725 -4.333) 18.010 0.951 ( -11.365 1.332 7.646) 13.762 1.050 ( -17.545 1.503 7.915) 19.306 1.143 ( -12.353 -1.443 7.453) 14.500 1.250 ( -9.241 0.254 1.798) 9.418 1.401 ( -5.246 -3.892 -2.922) 7.156 1.445 ( -3.241 0.518 -4.794) 5.809 1.486 ( -2.725 -1.276 -5.393) 6.175 1.508 ( 0.324 -3.340 1.143) 3.545 1.617 ( -2.677 -1.559 1.511) 3.446 1.648 ( -5.909 -2.900 2.355) 6.991 1.918 ( 1.093 1.450 -3.251) 3.723 1.998 ( -1.652 -0.080 -1.284) 2.094 2.114 ( -2.848 0.763 -0.459) 2.984 2.189 ( -1.243 -1.623 -3.817) 4.330 2.589 ( 4.321 -0.460 -0.376) 4.362 2.606 ( 2.932 -0.380 -3.367) 4.480 2.625 ( 3.404 0.522 -0.824) 3.541 2.717 ( 4.135 -0.735 1.857) 4.592 2.766 ( 3.143 -0.338 -3.325) 4.588 2.795 ( 3.653 -1.104 -0.201) 3.822 2.927 ( 4.824 1.063 5.246) 7.206 2.981 ( 4.432 1.050 1.084) 4.682 3.043 ( 1.703 0.996 -1.379) 2.407 3.135 ( 0.466 -0.756 1.619) 1.846 3.152 ( 1.046 1.651 2.151) 2.906 3.205 ( 2.939 -0.628 0.422) 3.035 3.408 ( -3.977 0.762 -4.066) 5.738 3.518 ( -2.845 -1.864 -2.324) 4.119 3.527 ( -3.621 0.137 -2.762) 4.556 3.566 ( -3.953 0.605 -1.369) 4.227 3.668 ( -3.763 -0.810 6.762) 7.781 3.748 ( -0.696 -2.618 0.332) 2.729 3.919 ( 2.083 2.047 0.773) 3.021 4.019 ( -0.590 -0.755 1.339) 1.646 5.241 ( 1.637 0.266 2.267) 2.809 5.270 ( 1.052 -0.365 0.372) 1.174 5.339 ( 1.706 0.679 0.863) 2.029 5.425 ( 1.895 -1.237 2.221) 3.171 5.954 ( -2.817 0.642 -0.259) 2.901 6.002 ( -1.102 1.389 -0.404) 1.819 6.053 ( -0.846 -1.081 -1.630) 2.131 6.164 ( 1.121 -2.087 3.089) 3.893 6.342 ( -4.319 0.448 -0.528) 4.374 6.360 ( -4.795 -0.700 -0.067) 4.847 6.437 ( -4.028 -0.086 1.550) 4.317 6.472 ( -8.712 -4.014 -4.832) 10.741 6.828 ( 4.750 0.713 0.379) 4.818 6.875 ( 4.842 -0.244 -0.833) 4.919 6.885 ( 5.428 -0.708 -0.721) 5.522 6.910 ( 4.342 -1.040 0.403) 4.483 7.189 ( -0.129 1.752 -0.268) 1.777 7.222 ( -1.149 2.919 0.145) 3.140 7.281 ( -0.022 -0.554 0.304) 0.632 7.433 ( -0.273 -1.573 -0.091) 1.599 7.827 ( 2.485 -1.259 0.929) 2.936 7.841 ( 2.647 -1.431 1.468) 3.348 7.933 ( 1.368 2.552 -0.393) 2.922 7.994 ( 1.990 0.156 -1.680) 2.609 ======================= Grid point 90 (47/81) ======================= q-point: (-0.08 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -9.277 7.125 10.491) 15.713 0.588 ( -7.824 13.874 8.631) 18.116 0.764 ( -13.725 -0.659 8.023) 15.912 0.859 ( -11.174 5.367 24.868) 27.786 0.989 ( -6.515 0.368 2.822) 7.109 1.143 ( -4.951 0.113 8.146) 9.533 1.289 ( -3.438 -4.431 -5.546) 7.888 1.356 ( -0.759 0.683 -9.994) 10.046 1.396 ( -1.256 0.492 -8.840) 8.942 1.541 ( 0.279 -5.425 0.311) 5.441 1.576 ( -3.509 -3.130 4.745) 6.680 1.615 ( -0.084 -3.723 5.886) 6.965 1.885 ( -0.129 1.659 -8.951) 9.104 1.958 ( -0.221 0.491 -4.476) 4.508 2.059 ( -2.549 1.408 -0.646) 2.982 2.133 ( -0.762 -1.509 -7.980) 8.157 2.612 ( 0.622 -0.189 -2.620) 2.700 2.643 ( 1.122 -1.111 -4.240) 4.524 2.676 ( 2.499 1.174 -0.498) 2.805 2.769 ( 0.458 -0.007 0.565) 0.727 2.793 ( 1.741 -0.441 -3.939) 4.329 2.860 ( 2.891 -1.783 1.409) 3.677 3.004 ( -0.364 -0.300 1.198) 1.288 3.037 ( 1.290 -0.826 2.825) 3.214 3.082 ( 1.652 1.892 1.240) 2.801 3.126 ( -1.276 -0.705 2.504) 2.897 3.159 ( 0.096 2.713 0.423) 2.748 3.210 ( -1.812 -0.027 -2.140) 2.804 3.357 ( 0.871 0.057 -2.283) 2.444 3.438 ( -2.637 0.469 -3.559) 4.455 3.476 ( -1.532 -2.483 -1.016) 3.089 3.498 ( -3.024 -0.903 -0.793) 3.254 3.635 ( -2.829 0.209 6.453) 7.049 3.774 ( 0.457 -2.807 6.365) 6.972 3.952 ( 0.795 1.310 0.173) 1.542 4.008 ( -0.770 -0.266 -0.068) 0.817 5.295 ( 0.905 -0.118 1.954) 2.156 5.329 ( 5.424 -1.455 7.667) 9.504 5.368 ( 0.918 0.638 0.563) 1.252 5.458 ( 0.143 -1.275 2.173) 2.524 5.884 ( -3.982 0.623 0.748) 4.099 5.974 ( -0.790 1.091 -1.828) 2.271 6.034 ( -0.997 -2.187 0.108) 2.406 6.177 ( -13.594 -9.754 -1.020) 16.763 6.243 ( 1.757 -0.646 3.006) 3.541 6.270 ( -2.182 -0.342 -1.395) 2.612 6.311 ( -1.946 0.677 -0.528) 2.127 6.408 ( -1.886 -0.960 3.100) 3.754 6.902 ( 2.757 0.516 -0.273) 2.818 6.941 ( 2.709 -0.105 -1.376) 3.040 6.965 ( 3.147 -1.308 -0.361) 3.427 6.986 ( 3.032 -0.836 -0.164) 3.149 7.190 ( 0.328 2.221 -0.871) 2.408 7.211 ( 0.043 3.552 -0.445) 3.580 7.293 ( 0.472 -0.742 1.673) 1.890 7.425 ( -0.334 -1.521 -0.900) 1.799 7.867 ( 1.449 -1.035 0.236) 1.796 7.884 ( 1.402 -1.127 0.127) 1.803 7.961 ( 1.334 2.407 0.206) 2.759 8.018 ( 1.562 0.054 -1.519) 2.180 ======================= Grid point 91 (48/81) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -2.573 4.373 16.238) 17.013 0.613 ( -2.848 -2.279 14.862) 15.303 0.810 ( -2.188 9.848 11.303) 15.150 0.947 ( -0.768 -1.640 12.493) 12.623 1.065 ( -1.084 4.627 8.457) 9.701 1.116 ( -0.198 -2.947 -4.116) 5.066 1.234 ( 2.506 5.570 10.422) 12.080 1.302 ( 0.964 0.501 -10.349) 10.405 1.311 ( -0.373 -0.680 -11.862) 11.887 1.396 ( 0.384 -6.251 1.033) 6.347 1.527 ( 0.609 -1.101 5.352) 5.498 1.573 ( 1.885 -5.368 7.828) 9.677 1.870 ( -0.465 2.554 -8.479) 8.867 1.918 ( 0.690 -1.914 -7.287) 7.566 2.032 ( 0.266 1.057 -10.274) 10.332 2.051 ( 0.338 -0.837 -8.948) 8.994 2.601 ( 0.931 0.038 -3.629) 3.747 2.611 ( 1.842 -0.923 -4.315) 4.782 2.727 ( -0.427 1.309 -2.115) 2.524 2.738 ( -1.427 0.268 -2.063) 2.522 2.829 ( 0.787 0.954 3.244) 3.471 2.862 ( 0.651 -2.231 3.258) 4.002 3.009 ( -0.728 0.302 4.535) 4.603 3.018 ( -0.773 -0.272 3.833) 3.920 3.080 ( -4.079 0.619 -1.483) 4.384 3.104 ( -1.927 -1.120 -4.246) 4.796 3.200 ( 0.911 1.285 -1.149) 1.950 3.212 ( 1.717 0.211 -0.108) 1.733 3.370 ( 0.385 0.991 -0.211) 1.084 3.395 ( -1.488 -0.813 -0.165) 1.704 3.420 ( -0.042 -0.105 -0.655) 0.665 3.433 ( 0.393 -0.981 -0.245) 1.085 3.698 ( 0.867 2.574 7.868) 8.324 3.760 ( 0.963 -3.343 6.683) 7.534 3.974 ( -0.428 0.868 -0.425) 1.057 3.988 ( -0.488 -0.574 -0.248) 0.793 5.340 ( 0.596 1.350 4.507) 4.743 5.386 ( 0.583 -2.821 5.589) 6.288 5.398 ( -0.349 0.819 1.395) 1.655 5.431 ( -1.031 -2.198 2.547) 3.519 5.843 ( -2.257 0.265 2.825) 3.625 5.852 ( -1.879 -0.619 3.391) 3.926 5.998 ( 1.467 2.059 -2.557) 3.595 6.040 ( 1.950 -1.865 -1.800) 3.243 6.257 ( 0.840 1.050 0.431) 1.412 6.279 ( 1.944 -0.659 0.985) 2.276 6.311 ( 0.271 0.003 1.313) 1.341 6.347 ( -1.947 -2.535 0.956) 3.337 6.934 ( -0.242 0.795 -0.116) 0.839 6.959 ( -0.293 -1.395 -0.099) 1.429 6.972 ( 0.323 0.810 -1.582) 1.806 6.993 ( 0.097 -1.032 -1.329) 1.686 7.245 ( 0.431 2.272 0.388) 2.345 7.280 ( 0.036 2.134 -0.535) 2.201 7.290 ( -0.202 0.350 1.107) 1.178 7.362 ( -0.564 -3.114 -1.404) 3.462 7.864 ( -0.259 -0.304 0.329) 0.517 7.871 ( -0.258 -0.976 0.274) 1.046 8.009 ( 0.136 1.176 -1.079) 1.602 8.025 ( 0.378 -0.481 -1.228) 1.372 ======================= Grid point 92 (49/81) ======================= q-point: ( 0.08 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 4.826 4.299 15.217) 16.533 0.728 ( 4.308 -1.427 11.325) 12.200 0.866 ( 2.568 9.709 6.935) 12.204 1.054 ( 2.924 -6.946 3.037) 8.125 1.102 ( 4.400 3.871 1.358) 6.016 1.177 ( 2.892 -3.262 9.475) 10.430 1.245 ( 3.066 2.674 -12.077) 12.744 1.293 ( 4.493 -1.886 -11.788) 12.755 1.392 ( 6.016 2.813 11.112) 12.945 1.422 ( 1.973 -0.728 4.362) 4.843 1.604 ( 3.240 0.975 8.227) 8.895 1.697 ( 4.392 -6.432 11.362) 13.775 1.804 ( -0.891 3.538 -7.879) 8.683 1.880 ( -0.148 -3.559 -7.369) 8.185 1.991 ( 3.813 1.342 -14.021) 14.592 2.023 ( 4.287 -1.596 -12.784) 13.578 2.586 ( -0.819 0.786 -3.690) 3.861 2.605 ( -0.314 -0.924 -4.536) 4.640 2.715 ( 0.622 1.359 0.753) 1.673 2.740 ( 2.180 -0.982 -0.376) 2.421 2.856 ( -0.511 0.608 3.512) 3.601 2.881 ( -1.007 -1.751 2.814) 3.464 2.957 ( -5.302 0.646 1.830) 5.646 2.974 ( -4.849 -0.645 -0.334) 4.903 3.041 ( -0.058 1.807 1.183) 2.160 3.081 ( 0.413 -1.698 -0.213) 1.760 3.217 ( 1.222 1.843 -0.028) 2.212 3.242 ( 0.024 -0.171 2.476) 2.482 3.344 ( -1.139 -0.570 -3.904) 4.106 3.348 ( -2.223 -0.696 -1.520) 2.781 3.450 ( 3.001 2.131 -0.397) 3.702 3.491 ( 3.950 -1.773 -0.097) 4.331 3.769 ( 1.659 1.789 5.965) 6.445 3.814 ( 1.060 -2.495 3.312) 4.280 3.967 ( 0.012 0.694 0.379) 0.791 3.979 ( -0.434 -0.519 0.242) 0.719 5.358 ( -1.489 1.324 3.715) 4.215 5.369 ( -2.266 0.371 0.513) 2.353 5.389 ( -2.198 -0.436 0.772) 2.370 5.416 ( -2.861 -2.849 4.799) 6.271 5.883 ( 3.700 1.221 1.497) 4.175 5.911 ( 4.557 -1.563 1.360) 5.006 6.029 ( 2.854 3.084 -1.933) 4.625 6.093 ( 3.542 -2.790 0.426) 4.528 6.266 ( 1.341 1.429 -1.682) 2.583 6.304 ( 0.107 -1.708 -1.433) 2.232 6.335 ( 2.526 0.942 0.941) 2.855 6.388 ( 4.567 -4.156 2.602) 6.701 6.901 ( -3.157 0.802 -0.153) 3.261 6.921 ( -3.395 -0.991 -0.309) 3.551 6.942 ( -2.538 0.520 -1.233) 2.869 6.959 ( -2.801 -0.965 -0.845) 3.081 7.251 ( -0.263 2.892 0.571) 2.959 7.269 ( 0.079 3.759 -0.939) 3.875 7.302 ( 0.009 -2.031 2.021) 2.865 7.340 ( -0.511 -2.915 -1.796) 3.462 7.847 ( -1.667 -0.196 0.560) 1.770 7.854 ( -1.663 -0.868 0.544) 1.953 7.995 ( -0.854 1.360 -0.777) 1.784 8.015 ( -0.586 -0.681 -1.129) 1.443 ======================= Grid point 93 (50/81) ======================= q-point: ( 0.15 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 7.873 3.976 7.446) 11.543 0.890 ( 8.181 2.264 9.266) 12.566 1.013 ( 7.300 3.560 8.022) 11.415 1.115 ( 4.864 -3.600 -1.147) 6.159 1.178 ( 5.298 3.536 -9.604) 11.524 1.247 ( 3.921 -2.669 -1.493) 4.972 1.305 ( 6.154 -0.803 -9.990) 11.761 1.348 ( 5.752 -3.183 -0.170) 6.576 1.519 ( 4.695 2.711 8.157) 9.794 1.579 ( 5.041 -2.837 9.808) 11.387 1.747 ( 1.610 2.686 -0.996) 3.286 1.763 ( 4.165 3.225 4.335) 6.822 1.822 ( 2.196 -1.673 -0.182) 2.767 1.880 ( 5.002 -5.181 5.268) 8.922 2.006 ( 6.063 1.672 -11.662) 13.250 2.053 ( 6.808 -2.523 -12.015) 14.038 2.537 ( -2.649 0.931 -0.850) 2.934 2.557 ( -2.353 -0.865 -1.592) 2.969 2.730 ( -0.689 1.902 0.477) 2.078 2.763 ( 0.122 -0.726 -1.092) 1.317 2.808 ( -5.451 -0.045 0.508) 5.475 2.834 ( -3.286 -1.906 -1.036) 3.937 2.916 ( -1.182 0.838 2.366) 2.775 2.929 ( -1.951 -0.294 2.728) 3.366 3.034 ( -0.976 2.024 1.834) 2.900 3.079 ( -1.045 -2.083 1.365) 2.701 3.205 ( -4.314 1.519 1.431) 4.792 3.228 ( -4.258 -0.420 4.134) 5.950 3.294 ( 1.208 1.963 -3.668) 4.332 3.346 ( 2.575 -2.757 -2.869) 4.739 3.496 ( 2.381 3.371 -2.016) 4.593 3.556 ( 3.195 -2.298 -1.451) 4.194 3.818 ( 0.754 0.106 1.696) 1.859 3.836 ( 0.899 -1.544 -0.829) 1.970 3.978 ( -0.041 0.562 1.608) 1.704 3.985 ( 0.592 -0.022 2.121) 2.202 5.321 ( -2.894 0.087 -0.155) 2.900 5.324 ( -2.738 -0.227 -0.595) 2.811 5.356 ( -2.223 1.168 2.284) 3.394 5.385 ( -3.163 -1.579 3.579) 5.030 5.958 ( 3.234 1.619 0.127) 3.619 5.989 ( 2.636 -0.676 -0.149) 2.725 6.056 ( 0.923 2.432 -1.372) 2.941 6.134 ( -0.656 -4.174 0.832) 4.307 6.329 ( 4.896 -0.137 -0.517) 4.925 6.333 ( 6.532 -0.512 -0.255) 6.557 6.425 ( 5.821 2.623 -0.543) 6.408 6.489 ( 5.108 -3.532 -0.797) 6.261 6.821 ( -5.043 0.527 0.443) 5.090 6.835 ( -5.203 -0.736 -0.194) 5.258 6.867 ( -4.389 0.589 -0.720) 4.487 6.883 ( -4.699 -0.820 -0.185) 4.773 7.246 ( -0.065 3.164 -0.189) 3.170 7.275 ( 0.453 2.702 0.411) 2.771 7.310 ( 0.073 -2.371 -0.099) 2.374 7.331 ( 0.515 -2.107 -0.034) 2.169 7.813 ( -2.332 -0.109 1.139) 2.598 7.821 ( -2.264 -0.929 1.219) 2.734 7.970 ( -1.301 1.359 -0.805) 2.047 7.989 ( -1.360 -0.575 -1.308) 1.973 ======================= Grid point 94 (51/81) ======================= q-point: ( 0.23 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 7.869 4.420 4.896) 10.268 1.124 ( 9.429 -1.255 4.999) 10.746 1.179 ( 6.684 3.372 -0.058) 7.487 1.219 ( 6.195 1.729 1.463) 6.596 1.289 ( 10.161 -0.118 -0.712) 10.187 1.301 ( 5.147 -3.059 -5.856) 8.375 1.372 ( 6.653 0.580 -6.609) 9.396 1.432 ( 3.928 -4.342 -2.959) 6.561 1.664 ( 4.564 2.481 8.031) 9.565 1.715 ( 4.066 -1.959 5.845) 7.384 1.756 ( 2.181 1.321 -0.677) 2.638 1.790 ( 1.798 -1.458 -2.779) 3.616 1.961 ( 5.137 0.320 2.594) 5.763 1.987 ( 3.628 -2.005 -1.062) 4.279 2.077 ( 6.532 2.546 -3.439) 7.809 2.136 ( 6.621 -2.558 -3.308) 7.831 2.476 ( -3.215 1.186 -0.161) 3.431 2.508 ( -2.018 -1.725 -0.427) 2.689 2.672 ( -4.990 1.824 -0.482) 5.335 2.706 ( -5.306 -0.924 0.057) 5.386 2.733 ( -2.305 1.057 -1.575) 2.985 2.774 ( -2.443 -2.297 -1.837) 3.824 2.882 ( -3.674 0.605 0.374) 3.742 2.889 ( -3.262 0.057 1.135) 3.455 3.039 ( -0.884 1.234 2.925) 3.295 3.065 ( -2.145 -0.759 2.651) 3.494 3.111 ( -5.047 0.714 -0.258) 5.104 3.131 ( -6.003 -0.742 0.364) 6.060 3.334 ( 2.368 2.496 1.789) 3.877 3.387 ( 2.104 -2.497 1.040) 3.427 3.516 ( 1.509 3.935 -2.383) 4.842 3.589 ( 1.601 -2.855 -2.421) 4.071 3.824 ( 0.512 0.720 -1.173) 1.468 3.858 ( 1.875 -2.209 -1.148) 3.116 3.982 ( -0.495 1.736 1.064) 2.095 4.011 ( 0.610 -0.923 1.859) 2.164 5.259 ( -3.005 0.383 -0.900) 3.160 5.268 ( -2.624 -0.435 -1.104) 2.880 5.324 ( -2.475 0.798 1.807) 3.166 5.342 ( -3.215 -0.892 2.333) 4.071 5.993 ( 0.095 2.188 -0.623) 2.277 6.012 ( 0.833 1.539 0.329) 1.781 6.063 ( 0.570 -1.166 -1.366) 1.884 6.100 ( -2.014 -3.374 -0.361) 3.946 6.462 ( 7.173 0.879 1.952) 7.486 6.483 ( 7.665 -1.073 2.429) 8.112 6.519 ( 4.077 1.691 -2.018) 4.854 6.552 ( 1.946 -1.349 -2.510) 3.450 6.736 ( -3.512 0.264 0.004) 3.522 6.745 ( -2.883 -0.643 -0.577) 3.010 6.782 ( -3.918 0.498 0.067) 3.950 6.794 ( -4.293 -0.606 0.684) 4.389 7.252 ( 0.959 2.297 -0.211) 2.498 7.286 ( 0.462 0.643 0.303) 0.848 7.318 ( 1.437 -0.227 -1.295) 1.948 7.350 ( 0.885 -1.859 0.996) 2.288 7.778 ( -2.278 -0.062 1.890) 2.960 7.787 ( -2.304 -0.928 1.808) 3.072 7.934 ( -1.736 1.151 -1.332) 2.472 7.948 ( -1.956 -0.160 -1.813) 2.672 ======================= Grid point 95 (52/81) ======================= q-point: ( 0.31 0.40 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 5.472 3.882 -0.747) 6.750 1.267 ( 5.838 0.281 -0.575) 5.874 1.311 ( 5.154 -0.298 2.212) 5.616 1.346 ( 6.186 -1.448 0.310) 6.361 1.394 ( 6.920 1.734 -1.924) 7.389 1.465 ( 5.508 -3.497 0.257) 6.529 1.493 ( 8.545 0.707 -0.073) 8.574 1.513 ( 8.774 -1.058 -0.710) 8.866 1.746 ( 0.551 1.598 1.604) 2.330 1.786 ( 0.438 -2.110 1.302) 2.518 1.815 ( 4.129 2.557 4.102) 6.357 1.864 ( 3.728 -1.992 5.545) 6.973 2.013 ( 1.560 -0.631 -3.759) 4.119 2.023 ( 3.408 -1.279 -4.409) 5.717 2.180 ( 4.307 2.471 0.152) 4.968 2.225 ( 3.528 -1.313 -0.852) 3.859 2.422 ( -2.349 1.780 0.061) 2.948 2.474 ( -1.539 -2.879 -0.536) 3.308 2.560 ( -5.841 1.627 -1.761) 6.314 2.596 ( -5.941 -1.726 -1.666) 6.407 2.670 ( -2.961 1.353 -1.532) 3.598 2.706 ( -3.610 -1.983 -1.626) 4.428 2.811 ( -2.858 0.762 -2.838) 4.099 2.822 ( -3.008 -0.149 -1.406) 3.324 2.961 ( -5.704 1.733 -1.199) 6.081 2.991 ( -6.572 -1.027 -1.170) 6.754 3.053 ( -1.973 0.838 2.302) 3.145 3.071 ( -2.582 -0.780 1.851) 3.271 3.394 ( 1.876 2.222 4.414) 5.286 3.437 ( 1.548 -1.848 4.099) 4.756 3.541 ( 1.843 3.006 0.781) 3.611 3.599 ( 0.841 -2.495 -0.679) 2.719 3.833 ( 1.249 2.004 -1.633) 2.871 3.885 ( 1.720 -2.698 -1.840) 3.691 3.974 ( -0.525 2.991 -0.039) 3.037 4.028 ( 0.471 -2.194 0.579) 2.317 5.201 ( -2.534 0.580 -0.614) 2.671 5.213 ( -2.479 -0.529 -0.747) 2.642 5.285 ( -2.517 0.384 0.924) 2.708 5.294 ( -2.999 -0.434 1.212) 3.264 5.979 ( -0.860 2.344 -0.044) 2.497 6.024 ( -0.334 -0.404 0.424) 0.674 6.047 ( -0.916 -0.341 -0.570) 1.132 6.081 ( -0.035 -2.021 -0.308) 2.045 6.498 ( -3.572 0.667 -0.045) 3.634 6.513 ( -3.109 -0.700 -0.373) 3.209 6.597 ( 2.114 1.010 0.779) 2.469 6.614 ( 2.513 -0.612 1.296) 2.892 6.712 ( 2.098 0.794 -1.515) 2.707 6.727 ( 1.523 -0.533 -0.567) 1.710 6.756 ( 1.735 0.411 -0.493) 1.850 6.769 ( 1.672 -0.724 1.887) 2.623 7.281 ( 1.975 1.379 0.390) 2.440 7.304 ( 1.469 -0.291 -0.032) 1.498 7.343 ( 1.984 0.764 -1.468) 2.583 7.372 ( 0.885 -1.472 0.250) 1.736 7.750 ( -2.001 -0.166 1.947) 2.797 7.757 ( -2.081 -0.776 1.699) 2.796 7.890 ( -1.847 0.997 -1.454) 2.553 7.898 ( -1.940 0.280 -1.819) 2.675 ======================= Grid point 96 (53/81) ======================= q-point: ( 0.38 0.40 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 4.051 3.132 -4.276) 6.671 1.337 ( 2.344 -3.205 -2.052) 4.470 1.409 ( 4.131 1.303 1.655) 4.637 1.445 ( 4.426 -1.344 1.217) 4.783 1.524 ( 5.809 2.058 1.899) 6.449 1.579 ( 5.141 -2.580 2.801) 6.397 1.643 ( 4.890 0.584 2.655) 5.595 1.658 ( 4.151 -0.970 1.505) 4.521 1.749 ( 0.022 0.854 2.143) 2.307 1.781 ( -1.211 -2.187 2.236) 3.353 1.915 ( 3.225 2.321 3.617) 5.373 1.951 ( 2.216 -1.066 3.417) 4.209 2.035 ( 3.385 0.175 -2.830) 4.416 2.061 ( 3.811 -1.990 -3.955) 5.842 2.240 ( 2.552 1.769 -0.675) 3.177 2.258 ( 0.796 0.364 -0.458) 0.988 2.380 ( -2.786 1.813 0.573) 3.373 2.418 ( -4.354 -0.091 -1.778) 4.704 2.441 ( -5.265 -0.793 -1.840) 5.633 2.475 ( -4.712 -2.325 -2.878) 5.991 2.611 ( -1.917 0.352 -1.768) 2.631 2.633 ( -2.264 -1.629 -1.762) 3.299 2.740 ( -1.573 1.777 -4.978) 5.515 2.776 ( -0.924 -1.285 -2.986) 3.379 2.862 ( -3.733 0.392 -2.371) 4.440 2.871 ( -4.240 -0.061 -0.869) 4.328 3.009 ( -3.000 0.870 -0.415) 3.151 3.020 ( -3.239 -0.227 -0.359) 3.267 3.455 ( 1.058 2.177 5.846) 6.327 3.493 ( 0.791 -1.462 6.267) 6.483 3.588 ( 1.372 1.759 2.890) 3.651 3.620 ( 1.036 -1.504 2.536) 3.125 3.846 ( 1.192 2.178 -2.102) 3.253 3.893 ( 0.517 -1.818 -2.545) 3.170 3.969 ( 0.288 3.176 -0.883) 3.309 4.036 ( 0.416 -2.972 -0.865) 3.123 5.159 ( -1.696 0.536 -0.022) 1.779 5.169 ( -1.755 -0.480 -0.069) 1.820 5.243 ( -2.162 0.153 -0.029) 2.168 5.246 ( -2.361 -0.205 0.187) 2.377 5.967 ( -0.522 1.744 0.674) 1.941 6.006 ( -1.058 -1.849 0.222) 2.142 6.039 ( -0.484 1.865 0.631) 2.028 6.079 ( -0.208 -1.830 -0.129) 1.846 6.428 ( -3.380 0.798 1.012) 3.618 6.448 ( -3.121 -1.148 0.810) 3.422 6.583 ( -1.544 1.077 -1.198) 2.232 6.603 ( -1.527 -0.775 -1.376) 2.197 6.766 ( 3.355 0.709 -2.139) 4.041 6.779 ( 2.935 -0.496 -2.012) 3.593 6.816 ( 3.116 1.484 2.649) 4.351 6.843 ( 2.981 -1.019 3.107) 4.425 7.327 ( 1.762 0.713 1.776) 2.601 7.340 ( 2.028 -0.362 0.424) 2.104 7.370 ( 2.145 0.419 -2.288) 3.164 7.384 ( 0.823 -0.733 -1.486) 1.850 7.724 ( -1.769 -0.222 1.200) 2.149 7.729 ( -1.707 -0.689 1.094) 2.142 7.853 ( -1.245 1.022 -0.883) 1.837 7.859 ( -1.190 0.464 -1.049) 1.653 ======================= Grid point 97 (54/81) ======================= q-point: ( 0.46 0.40 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 3.894 1.398 -1.759) 4.496 1.373 ( 3.067 -2.899 -1.996) 4.669 1.454 ( -0.142 1.839 0.419) 1.892 1.494 ( 0.010 -1.892 -0.711) 2.021 1.625 ( 3.740 2.142 4.295) 6.085 1.668 ( 1.356 -1.005 3.271) 3.681 1.672 ( -0.958 -0.714 0.791) 1.433 1.698 ( 0.079 -2.108 2.417) 3.208 1.782 ( -0.541 0.238 3.109) 3.165 1.801 ( 0.330 -1.048 5.740) 5.844 1.970 ( 0.834 1.608 1.647) 2.448 1.991 ( 0.028 -0.236 1.146) 1.171 2.105 ( 5.350 0.728 -1.939) 5.737 2.126 ( 4.952 -1.274 -2.439) 5.665 2.253 ( -0.134 2.035 -1.988) 2.848 2.281 ( 0.373 -0.573 0.423) 0.804 2.307 ( -5.628 1.378 -0.560) 5.822 2.333 ( -1.245 1.330 -0.251) 1.839 2.346 ( -3.256 -1.435 -1.684) 3.936 2.379 ( -2.760 -1.548 -2.134) 3.816 2.583 ( -0.180 0.439 -1.487) 1.561 2.611 ( 0.465 -1.938 -0.965) 2.215 2.698 ( 0.562 0.602 -5.703) 5.762 2.730 ( -0.926 -2.026 -4.863) 5.349 2.810 ( -0.212 1.406 -0.861) 1.663 2.831 ( -0.285 -0.463 -0.594) 0.806 2.948 ( -2.348 0.928 -2.294) 3.411 2.956 ( -2.207 0.104 -2.551) 3.375 3.502 ( 0.033 2.187 5.941) 6.331 3.537 ( -0.508 -1.218 6.829) 6.956 3.619 ( 0.432 2.704 2.720) 3.860 3.670 ( 1.212 -2.237 5.223) 5.809 3.848 ( 0.399 1.701 -2.680) 3.199 3.880 ( 0.080 -0.659 -2.755) 2.834 3.967 ( 0.206 2.527 -1.676) 3.039 4.030 ( -0.083 -2.997 -2.331) 3.798 5.139 ( -0.444 0.494 0.556) 0.867 5.149 ( -0.450 -0.450 0.572) 0.855 5.207 ( -1.230 0.149 -0.856) 1.506 5.211 ( -1.197 -0.207 -0.633) 1.370 5.969 ( 0.050 1.322 1.408) 1.931 5.998 ( 0.008 -1.392 0.778) 1.594 6.029 ( -0.814 1.960 0.359) 2.152 6.070 ( -0.487 -1.811 -0.530) 1.949 6.395 ( -0.986 0.880 2.020) 2.413 6.418 ( -0.873 -1.255 1.703) 2.288 6.551 ( -0.702 0.880 -1.869) 2.182 6.568 ( -0.796 -0.715 -2.409) 2.636 6.801 ( 1.617 0.687 -1.694) 2.441 6.811 ( 1.165 -0.173 -1.154) 1.649 6.872 ( 1.195 1.177 2.124) 2.707 6.891 ( 0.380 -0.634 2.173) 2.295 7.348 ( -0.401 0.049 0.848) 0.939 7.355 ( -1.281 -0.570 0.823) 1.626 7.405 ( 2.749 0.294 -2.134) 3.492 7.406 ( 2.949 0.138 -2.012) 3.572 7.700 ( -1.787 -0.116 1.479) 2.322 7.706 ( -1.652 -0.715 1.338) 2.243 7.836 ( 0.155 1.006 -0.728) 1.252 7.842 ( 0.231 0.439 -0.934) 1.058 ======================= Grid point 98 (55/81) ======================= q-point: (-0.46 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -3.656 0.313 -0.670) 3.730 1.353 ( -4.333 -2.021 -1.352) 4.969 1.502 ( 5.951 0.803 -0.522) 6.027 1.524 ( 5.076 -1.500 -2.908) 6.039 1.632 ( -3.035 1.003 2.945) 4.347 1.660 ( -3.414 -1.357 1.746) 4.068 1.712 ( 1.169 -0.079 1.840) 2.182 1.719 ( 0.591 -0.495 2.919) 3.019 1.775 ( -2.603 1.911 6.810) 7.537 1.830 ( -1.315 -2.663 7.604) 8.164 1.947 ( -4.945 1.021 0.769) 5.107 1.953 ( -3.955 0.311 1.049) 4.104 2.148 ( -5.105 1.644 -5.399) 7.610 2.161 ( -1.248 0.944 -1.636) 2.264 2.195 ( 0.708 0.349 -1.766) 1.934 2.232 ( -2.707 -2.107 -1.833) 3.890 2.291 ( 2.364 0.393 1.210) 2.684 2.312 ( 3.681 -1.447 -0.110) 3.957 2.368 ( 3.531 1.598 -0.618) 3.925 2.394 ( 3.974 -0.493 -2.341) 4.638 2.571 ( -0.301 0.588 -1.766) 1.885 2.606 ( -0.726 -2.779 -1.949) 3.471 2.686 ( 2.321 1.430 -4.999) 5.694 2.724 ( 3.018 -2.038 -4.512) 5.798 2.825 ( 1.545 1.068 1.036) 2.145 2.844 ( 1.566 -0.612 0.198) 1.693 2.899 ( -0.357 1.442 -3.405) 3.715 2.919 ( 0.457 -0.386 -3.123) 3.179 3.533 ( -0.527 2.214 5.878) 6.303 3.566 ( -0.972 -0.955 7.661) 7.781 3.646 ( 0.546 3.827 3.202) 5.020 3.720 ( 0.700 -3.256 4.822) 5.861 3.827 ( -0.640 1.944 -3.128) 3.738 3.862 ( -0.280 -1.119 -2.918) 3.138 3.956 ( -0.133 1.867 -1.646) 2.492 4.004 ( -0.753 -2.407 -3.349) 4.193 5.150 ( 1.051 0.540 1.123) 1.631 5.161 ( 1.173 -0.488 1.066) 1.658 5.188 ( 0.014 0.298 -1.349) 1.381 5.195 ( 0.156 -0.346 -1.187) 1.247 5.985 ( 0.526 1.383 1.704) 2.257 6.015 ( 0.767 -1.377 1.317) 2.054 6.018 ( 0.055 1.916 -0.085) 1.918 6.060 ( 0.117 -1.897 -0.913) 2.108 6.411 ( 1.007 0.881 2.564) 2.892 6.433 ( 1.036 -1.133 2.153) 2.645 6.536 ( 0.496 0.519 -2.387) 2.493 6.546 ( 0.385 -0.511 -2.856) 2.927 6.790 ( -2.242 0.942 -1.100) 2.669 6.803 ( -1.310 -0.249 -0.915) 1.617 6.890 ( -0.821 0.837 1.599) 1.982 6.903 ( 0.266 -0.345 1.837) 1.888 7.323 ( -2.007 0.258 0.214) 2.035 7.335 ( -1.191 -0.842 0.132) 1.465 7.435 ( 1.252 0.646 -1.548) 2.093 7.443 ( 1.726 -0.120 -1.594) 2.352 7.669 ( -2.298 0.080 1.475) 2.731 7.677 ( -2.176 -0.659 1.214) 2.577 7.853 ( 1.931 0.926 -0.575) 2.217 7.860 ( 2.105 0.200 -0.656) 2.214 ======================= Grid point 99 (56/81) ======================= q-point: (-0.38 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -6.792 2.490 -2.533) 7.665 1.276 ( -3.052 -3.994 -0.830) 5.095 1.519 ( -4.101 1.831 -2.331) 5.060 1.556 ( -3.087 -1.732 -2.964) 4.617 1.614 ( -1.232 1.850 3.474) 4.124 1.649 ( -0.470 -1.596 3.505) 3.880 1.701 ( -2.826 -0.373 3.864) 4.802 1.707 ( -3.097 -0.689 4.315) 5.356 1.808 ( 0.050 1.760 6.707) 6.934 1.835 ( -5.152 0.784 1.137) 5.334 1.843 ( -3.890 -1.410 4.459) 6.083 1.853 ( -6.160 -0.232 3.608) 7.142 1.985 ( -6.554 3.275 -6.339) 9.688 2.053 ( -6.387 -3.199 -5.478) 9.002 2.187 ( 0.185 1.075 -0.972) 1.461 2.211 ( 0.244 -1.433 -1.844) 2.348 2.370 ( 4.031 1.250 0.246) 4.228 2.394 ( 4.814 -1.076 -1.556) 5.172 2.447 ( 4.268 0.409 -1.401) 4.511 2.457 ( 4.176 -0.235 -2.666) 4.960 2.562 ( 1.348 0.158 -1.920) 2.351 2.588 ( 1.557 -2.289 -3.058) 4.125 2.712 ( 2.765 2.263 -3.294) 4.860 2.757 ( 2.511 -1.828 -2.752) 4.150 2.866 ( 2.568 0.799 -3.136) 4.131 2.879 ( 3.397 -0.401 0.564) 3.467 2.931 ( 3.919 0.819 0.885) 4.100 2.945 ( 3.597 -0.418 -0.117) 3.624 3.555 ( -1.082 2.465 6.105) 6.672 3.595 ( -1.372 -1.237 8.455) 8.654 3.680 ( 0.811 3.875 3.319) 5.166 3.753 ( 0.396 -2.892 1.872) 3.468 3.784 ( -1.999 1.741 -2.795) 3.853 3.825 ( -1.075 -1.783 -4.769) 5.204 3.949 ( 0.027 0.391 0.035) 0.393 3.965 ( -1.073 -0.979 -3.262) 3.571 5.189 ( 1.266 0.503 -0.859) 1.610 5.192 ( 2.075 0.633 0.744) 2.294 5.200 ( 1.210 -0.487 -1.124) 1.721 5.206 ( 2.452 -0.619 1.315) 2.851 6.003 ( 0.635 1.808 0.254) 1.933 6.021 ( 0.159 1.254 1.340) 1.842 6.049 ( 1.569 -1.299 0.263) 2.054 6.067 ( 1.036 -1.856 -0.414) 2.166 6.457 ( 2.078 0.849 1.863) 2.917 6.477 ( 2.260 -1.073 1.373) 2.854 6.541 ( 1.573 0.464 -1.850) 2.472 6.551 ( 1.584 -0.523 -1.979) 2.588 6.723 ( -3.462 1.414 -0.769) 3.818 6.749 ( -3.252 -1.117 -0.498) 3.474 6.872 ( -2.169 1.909 1.115) 3.097 6.904 ( -1.682 -1.141 1.604) 2.589 7.287 ( -1.889 0.909 0.394) 2.133 7.310 ( -1.396 -1.228 0.033) 1.859 7.421 ( -1.821 1.300 -1.358) 2.617 7.445 ( -0.664 -0.991 -1.140) 1.650 7.651 ( 0.042 0.071 1.037) 1.040 7.656 ( -0.117 -0.476 0.857) 0.988 7.892 ( 2.343 0.917 -0.552) 2.576 7.902 ( 2.394 0.003 -0.542) 2.455 ======================= Grid point 100 (57/81) ======================= q-point: (-0.31 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -6.862 7.148 -0.727) 9.935 1.222 ( -2.941 -7.689 0.739) 8.265 1.389 ( -7.683 2.356 -2.243) 8.344 1.421 ( -8.318 -0.681 -2.563) 8.731 1.550 ( -8.398 0.506 2.438) 8.760 1.559 ( -9.254 -0.850 4.922) 10.516 1.626 ( -8.148 1.636 0.935) 8.363 1.657 ( -7.710 -0.848 4.658) 9.047 1.716 ( -5.383 0.267 -1.797) 5.681 1.730 ( -5.280 -0.799 -0.503) 5.363 1.779 ( -5.958 2.687 -3.565) 7.445 1.841 ( -3.907 -2.983 -1.543) 5.152 1.903 ( -0.603 1.268 3.600) 3.864 1.926 ( -0.812 -0.923 1.949) 2.304 2.188 ( 0.419 0.226 -1.408) 1.486 2.208 ( 0.492 -1.751 -2.158) 2.822 2.441 ( 3.139 1.596 1.384) 3.784 2.471 ( 4.335 -1.223 -0.724) 4.563 2.502 ( 4.124 0.084 -3.369) 5.326 2.510 ( 3.043 -0.869 -2.120) 3.810 2.619 ( 5.111 0.500 -0.931) 5.220 2.639 ( 4.894 -1.377 -2.356) 5.603 2.759 ( 4.055 2.446 -1.331) 4.919 2.796 ( 3.539 -0.947 -1.373) 3.912 2.927 ( 4.853 0.909 -1.109) 5.060 2.958 ( 4.847 -1.623 -0.091) 5.113 3.022 ( 4.419 1.015 1.940) 4.931 3.035 ( 4.512 -0.179 1.882) 4.892 3.562 ( -2.144 2.627 5.128) 6.147 3.611 ( -2.287 -1.999 7.285) 7.893 3.688 ( -3.118 1.930 2.565) 4.475 3.714 ( -3.725 0.742 -2.352) 4.467 3.747 ( 0.116 -0.316 -4.079) 4.093 3.784 ( 0.137 -2.087 -5.239) 5.642 3.931 ( -0.711 1.115 -1.200) 1.786 3.957 ( 0.173 -1.411 1.930) 2.397 5.204 ( 1.381 0.614 -1.390) 2.053 5.217 ( 1.491 -0.627 -1.371) 2.121 5.252 ( 2.799 0.911 1.725) 3.412 5.271 ( 3.110 -0.900 1.772) 3.691 6.013 ( 0.425 1.728 -0.379) 1.820 6.031 ( 0.007 0.785 1.007) 1.277 6.071 ( 0.792 -0.941 -0.800) 1.467 6.087 ( 1.109 -1.767 -0.294) 2.107 6.487 ( -0.799 0.523 0.134) 0.965 6.502 ( -1.111 -0.916 -0.864) 1.679 6.568 ( 0.690 0.860 0.767) 1.343 6.581 ( 2.673 -0.380 1.331) 3.010 6.695 ( 1.944 0.751 -0.686) 2.194 6.713 ( 0.761 -0.897 -0.480) 1.271 6.813 ( -4.255 2.112 0.186) 4.754 6.854 ( -3.996 -1.814 0.601) 4.429 7.257 ( -1.600 1.264 0.298) 2.061 7.282 ( -1.426 -1.165 -0.264) 1.860 7.367 ( -2.517 2.342 -0.812) 3.533 7.415 ( -1.518 -2.200 -0.324) 2.692 7.684 ( 2.500 -0.122 1.205) 2.778 7.687 ( 2.416 -0.436 1.313) 2.785 7.928 ( 1.818 0.992 -0.948) 2.278 7.939 ( 1.990 -0.069 -0.987) 2.223 ======================= Grid point 101 (58/81) ======================= q-point: (-0.23 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -6.647 10.592 1.872) 12.644 1.129 ( -9.009 -5.266 0.346) 10.440 1.207 ( -10.135 3.026 -5.730) 12.029 1.250 ( -8.034 -2.781 3.717) 9.279 1.349 ( -14.662 1.627 6.541) 16.138 1.392 ( -10.897 -2.520 8.110) 13.815 1.443 ( -8.281 1.451 -5.606) 10.104 1.492 ( -8.615 -2.430 -3.272) 9.531 1.601 ( -5.035 1.194 -3.504) 6.249 1.611 ( -5.063 0.112 -4.446) 6.738 1.668 ( -5.547 0.312 1.435) 5.738 1.707 ( -7.073 -3.021 -0.059) 7.691 1.936 ( 0.904 1.889 2.505) 3.265 1.972 ( 1.123 -1.495 3.519) 3.985 2.172 ( -1.025 0.358 -2.106) 2.369 2.192 ( -0.767 -1.612 -2.318) 2.926 2.510 ( 3.790 1.306 0.224) 4.015 2.543 ( 3.675 -1.478 -1.755) 4.332 2.570 ( 4.413 0.679 -0.253) 4.472 2.586 ( 5.269 -0.949 1.036) 5.453 2.708 ( 4.600 -0.051 -1.486) 4.834 2.714 ( 4.347 -0.434 -2.795) 5.187 2.850 ( 5.214 2.143 1.303) 5.786 2.881 ( 5.272 -0.616 0.756) 5.361 3.017 ( 4.343 1.453 0.557) 4.613 3.056 ( 4.662 -1.629 1.228) 5.089 3.110 ( 3.396 0.747 1.949) 3.986 3.124 ( 3.551 -0.335 1.547) 3.888 3.526 ( -3.733 2.070 0.038) 4.269 3.569 ( -4.399 -1.971 -1.779) 5.138 3.625 ( -4.693 0.552 1.081) 4.848 3.636 ( -3.782 -0.801 5.281) 6.545 3.702 ( -1.807 1.586 -4.767) 5.339 3.744 ( -1.226 -2.191 -5.238) 5.809 3.933 ( 0.758 2.323 1.254) 2.746 3.978 ( 0.388 -2.005 2.445) 3.186 5.223 ( 1.293 0.677 -0.582) 1.571 5.237 ( 1.329 -0.677 -0.719) 1.656 5.313 ( 2.441 1.164 1.539) 3.112 5.339 ( 2.731 -1.307 1.849) 3.548 6.008 ( -0.737 1.410 -0.541) 1.681 6.032 ( -0.487 -0.148 0.404) 0.650 6.069 ( -0.087 0.491 -1.585) 1.662 6.102 ( 0.647 -2.028 -0.208) 2.139 6.431 ( -4.291 0.343 0.921) 4.402 6.441 ( -4.437 -0.517 0.788) 4.536 6.546 ( -4.938 1.665 -0.337) 5.222 6.583 ( -5.092 -1.910 -1.299) 5.592 6.760 ( 3.555 0.735 -0.323) 3.644 6.769 ( 5.447 -0.326 -0.918) 5.533 6.787 ( 3.587 0.831 0.362) 3.700 6.816 ( 1.296 -1.691 0.777) 2.268 7.233 ( -0.914 1.411 -0.071) 1.683 7.258 ( -0.806 -0.982 -0.227) 1.291 7.327 ( -1.384 3.214 -0.191) 3.505 7.393 ( -0.794 -2.911 0.216) 3.025 7.748 ( 3.055 -0.327 1.412) 3.381 7.751 ( 3.072 -0.634 1.661) 3.550 7.951 ( 1.485 1.280 -1.124) 2.260 7.967 ( 1.791 -0.251 -1.319) 2.238 ======================= Grid point 102 (59/81) ======================= q-point: (-0.15 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -11.858 8.695 0.277) 14.707 0.921 ( -11.834 -3.148 0.467) 12.255 0.978 ( -11.699 7.336 3.320) 14.202 1.094 ( -12.194 -3.421 9.419) 15.783 1.141 ( -10.979 7.675 11.667) 17.764 1.264 ( -7.122 1.424 -3.612) 8.111 1.318 ( -6.111 -3.822 -1.594) 7.382 1.335 ( -1.778 -8.922 3.095) 9.610 1.482 ( -4.295 1.271 -5.893) 7.403 1.498 ( -3.192 -0.128 -6.724) 7.444 1.582 ( -4.101 -1.273 1.256) 4.474 1.589 ( -6.143 -2.059 2.954) 7.120 1.953 ( 0.739 1.834 -2.864) 3.480 1.986 ( -0.224 -1.188 -1.654) 2.049 2.130 ( -2.163 0.837 -0.870) 2.477 2.154 ( -1.535 -1.547 -2.684) 3.457 2.588 ( 4.433 0.360 -1.462) 4.681 2.597 ( 3.200 -0.441 -2.654) 4.181 2.647 ( 3.034 1.645 1.139) 3.634 2.687 ( 3.999 -2.005 1.657) 4.770 2.765 ( 2.911 0.234 -2.493) 3.840 2.775 ( 3.349 -0.785 -1.393) 3.711 2.954 ( 3.585 1.524 3.934) 5.536 2.983 ( 3.831 -0.982 2.279) 4.564 3.080 ( 1.934 2.437 0.165) 3.115 3.121 ( 0.946 -1.045 0.510) 1.499 3.175 ( 2.271 0.621 1.683) 2.894 3.189 ( 2.463 -0.768 0.900) 2.732 3.430 ( -3.932 1.417 -4.073) 5.836 3.468 ( -3.527 -2.306 -3.569) 5.522 3.547 ( -4.601 1.336 -0.087) 4.791 3.570 ( -4.513 -0.536 -0.465) 4.569 3.660 ( -2.385 0.583 3.632) 4.384 3.694 ( -1.148 -2.404 0.087) 2.666 3.961 ( 0.975 1.896 1.402) 2.551 3.996 ( 0.097 -1.470 1.536) 2.128 5.249 ( 1.335 0.493 1.516) 2.079 5.260 ( 1.131 -0.553 0.808) 1.496 5.360 ( 1.614 1.369 1.319) 2.493 5.393 ( 1.685 -1.711 1.854) 3.034 5.977 ( -2.481 1.583 -0.086) 2.944 6.014 ( -1.573 -1.649 0.096) 2.281 6.048 ( -1.273 2.141 -1.517) 2.916 6.105 ( -0.815 -3.153 0.757) 3.343 6.345 ( -5.864 -0.017 -0.359) 5.875 6.349 ( -5.440 -0.344 -0.285) 5.458 6.423 ( -7.621 -0.341 -1.818) 7.842 6.432 ( -4.807 -0.661 0.692) 4.901 6.845 ( 4.493 0.866 0.235) 4.582 6.865 ( 4.673 -1.093 -0.185) 4.803 6.877 ( 5.016 0.494 -0.697) 5.088 6.892 ( 4.976 -0.805 -0.208) 5.045 7.224 ( 0.146 1.585 -0.166) 1.600 7.252 ( 0.145 -0.946 0.324) 1.010 7.308 ( -0.630 3.796 -0.066) 3.849 7.384 ( -0.328 -3.207 -0.034) 3.224 7.808 ( 2.390 -0.336 1.134) 2.666 7.815 ( 2.545 -0.926 1.231) 2.975 7.975 ( 1.658 1.447 -0.851) 2.359 7.993 ( 1.768 -0.368 -1.255) 2.199 ======================= Grid point 103 (60/81) ======================= q-point: (-0.08 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -10.092 7.519 7.694) 14.751 0.700 ( -12.504 -4.418 7.796) 15.383 0.834 ( -8.904 8.548 13.316) 18.156 0.961 ( -8.144 -2.857 11.662) 14.508 1.072 ( -4.470 11.197 8.331) 14.655 1.158 ( -2.616 1.969 0.471) 3.308 1.203 ( -2.887 -2.508 -2.223) 4.424 1.361 ( -0.735 -8.277 3.258) 8.925 1.378 ( -0.963 0.203 -7.464) 7.529 1.404 ( -2.037 -2.373 -7.828) 8.429 1.520 ( -2.951 -1.326 3.569) 4.817 1.539 ( -1.481 -2.871 2.625) 4.162 1.925 ( -0.099 1.946 -7.384) 7.637 1.956 ( -0.229 -0.865 -5.836) 5.904 2.085 ( -1.558 0.969 -2.536) 3.130 2.104 ( -0.980 -1.102 -5.716) 5.903 2.613 ( 0.318 0.305 -2.925) 2.958 2.624 ( 0.567 -0.704 -3.393) 3.512 2.710 ( 3.062 2.014 -0.113) 3.667 2.752 ( 2.260 -1.771 -1.310) 3.156 2.796 ( 1.535 0.830 -0.165) 1.753 2.822 ( 2.023 -1.675 0.609) 2.696 3.006 ( -1.243 0.530 3.909) 4.136 3.021 ( -1.320 -0.774 3.031) 3.395 3.118 ( 1.507 0.943 -0.699) 1.910 3.121 ( 0.788 0.166 -0.098) 0.811 3.199 ( 0.167 1.047 -0.667) 1.252 3.208 ( -0.636 -0.070 -1.099) 1.271 3.368 ( -0.449 1.232 -1.713) 2.158 3.412 ( -0.939 -2.925 -1.241) 3.313 3.457 ( -3.308 1.299 -1.861) 4.012 3.484 ( -3.904 -1.051 -0.596) 4.087 3.654 ( -1.139 1.844 6.407) 6.764 3.708 ( 0.078 -3.205 6.080) 6.873 3.978 ( 0.131 1.158 0.514) 1.274 3.998 ( -0.420 -0.752 0.300) 0.913 5.294 ( 1.289 0.109 3.129) 3.386 5.303 ( 2.477 -0.852 5.297) 5.909 5.389 ( 0.615 1.408 1.269) 1.993 5.424 ( 0.347 -1.829 1.946) 2.693 5.906 ( -5.241 1.584 1.577) 5.698 5.957 ( -6.649 -3.598 2.403) 7.933 6.009 ( -0.964 1.836 -2.265) 3.071 6.056 ( -3.081 -2.905 -1.451) 4.476 6.250 ( -1.386 0.570 -0.137) 1.505 6.261 ( -1.795 -0.520 -0.607) 1.965 6.338 ( -2.522 1.815 0.245) 3.117 6.378 ( -2.400 -1.860 1.766) 3.512 6.913 ( 2.452 0.728 -0.024) 2.558 6.935 ( 2.646 -1.391 -0.045) 2.989 6.949 ( 3.090 0.843 -1.490) 3.532 6.969 ( 3.186 -0.925 -0.987) 3.461 7.233 ( 0.654 1.867 -0.022) 1.978 7.266 ( 0.703 -1.031 0.941) 1.563 7.298 ( -0.359 3.885 -0.348) 3.917 7.376 ( -0.304 -3.215 -0.729) 3.310 7.850 ( 1.373 -0.314 0.611) 1.536 7.858 ( 1.354 -1.046 0.569) 1.803 8.000 ( 1.368 1.272 -0.872) 2.061 8.016 ( 1.347 -0.364 -1.198) 1.839 ======================= Grid point 130 (61/81) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 2.895 0.000 -7.600) 8.132 0.668 ( -2.895 0.000 7.600) 8.132 0.925 ( -0.737 0.000 -13.632) 13.652 0.925 ( 0.737 0.000 13.632) 13.652 1.019 ( 2.821 0.000 -16.808) 17.043 1.019 ( -2.821 0.000 16.808) 17.043 1.329 ( -3.335 0.000 -9.595) 10.158 1.329 ( 3.335 0.000 9.595) 10.158 1.506 ( 3.217 0.000 -30.186) 30.357 1.506 ( -3.217 0.000 30.186) 30.357 1.541 ( 1.631 0.000 -16.861) 16.939 1.541 ( -1.631 0.000 16.861) 16.939 1.804 ( 2.036 0.000 -8.918) 9.148 1.804 ( -2.036 0.000 8.918) 9.148 1.929 ( -3.973 0.000 -7.966) 8.901 1.929 ( 3.973 0.000 7.966) 8.901 2.615 ( -2.703 0.000 0.658) 2.782 2.615 ( 2.703 0.000 -0.658) 2.782 2.636 ( -3.255 0.000 -0.172) 3.260 2.636 ( 3.255 0.000 0.172) 3.260 2.914 ( -0.294 0.000 -4.832) 4.841 2.914 ( 0.294 0.000 4.832) 4.841 3.030 ( -1.650 0.000 -4.568) 4.857 3.030 ( 1.650 0.000 4.568) 4.857 3.103 ( 0.838 0.000 -2.497) 2.634 3.103 ( -0.838 0.000 2.497) 2.634 3.199 ( 5.789 0.000 -2.634) 6.361 3.199 ( -5.789 0.000 2.634) 6.361 3.337 ( 2.123 0.000 -1.051) 2.369 3.337 ( -2.123 0.000 1.051) 2.369 3.444 ( -3.043 0.000 0.814) 3.151 3.444 ( 3.043 0.000 -0.814) 3.151 3.832 ( -0.587 0.000 -7.426) 7.450 3.832 ( 0.587 0.000 7.426) 7.450 3.978 ( 0.124 0.000 -3.077) 3.079 3.978 ( -0.124 0.000 3.077) 3.079 5.360 ( -0.294 0.000 -1.215) 1.251 5.360 ( 0.294 0.000 1.215) 1.251 5.518 ( 3.663 0.000 -3.610) 5.142 5.518 ( -3.663 0.000 3.610) 5.142 5.895 ( 0.111 0.000 -2.854) 2.856 5.895 ( -0.111 0.000 2.854) 2.856 6.033 ( 6.562 0.000 -5.374) 8.482 6.033 ( -6.562 0.000 5.374) 8.482 6.229 ( 1.531 0.000 -2.295) 2.759 6.229 ( -1.531 0.000 2.295) 2.759 6.497 ( 3.174 0.000 -4.233) 5.291 6.497 ( -3.174 0.000 4.233) 5.291 6.936 ( -0.380 0.000 -0.932) 1.006 6.936 ( 0.380 0.000 0.932) 1.006 7.015 ( -0.675 0.000 -0.256) 0.722 7.015 ( 0.675 0.000 0.256) 0.722 7.148 ( 0.041 0.000 -0.153) 0.159 7.148 ( -0.041 0.000 0.153) 0.159 7.378 ( -0.504 0.000 -2.660) 2.707 7.378 ( 0.504 0.000 2.660) 2.707 7.885 ( -0.615 0.000 -0.249) 0.663 7.885 ( 0.615 0.000 0.249) 0.663 7.995 ( 1.109 0.000 -2.121) 2.393 7.995 ( -1.109 0.000 2.121) 2.393 ======================= Grid point 132 (62/81) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 3.755 0.000 -8.164) 8.986 0.695 ( 6.378 0.000 -12.796) 14.298 0.833 ( 0.091 0.000 -2.335) 2.336 1.008 ( -0.399 0.000 18.694) 18.698 1.061 ( 8.874 0.000 -10.956) 14.099 1.132 ( 2.404 0.000 13.435) 13.648 1.252 ( 0.695 0.000 -5.699) 5.741 1.431 ( 8.754 0.000 -28.455) 29.771 1.476 ( 4.864 0.000 9.918) 11.046 1.532 ( 6.974 0.000 -15.999) 17.453 1.604 ( -0.220 0.000 16.408) 16.410 1.726 ( 5.066 0.000 20.597) 21.211 1.792 ( 2.193 0.000 -9.772) 10.015 1.823 ( -0.502 0.000 -9.134) 9.148 1.832 ( -0.038 0.000 9.258) 9.258 2.055 ( 4.489 0.000 5.493) 7.094 2.577 ( -1.907 0.000 0.741) 2.045 2.592 ( -2.157 0.000 1.861) 2.849 2.656 ( 1.736 0.000 -0.966) 1.986 2.712 ( 3.571 0.000 0.683) 3.635 2.859 ( -2.329 0.000 -4.913) 5.437 2.937 ( -0.710 0.000 4.339) 4.397 2.941 ( -3.785 0.000 -3.365) 5.065 3.026 ( -2.692 0.000 2.571) 3.722 3.106 ( -3.139 0.000 3.112) 4.420 3.147 ( 0.471 0.000 3.065) 3.101 3.147 ( 2.166 0.000 -1.812) 2.824 3.246 ( 0.073 0.000 -6.900) 6.900 3.321 ( 0.983 0.000 5.549) 5.636 3.349 ( 0.081 0.000 -1.366) 1.368 3.416 ( -1.689 0.000 4.478) 4.786 3.509 ( 3.813 0.000 -0.714) 3.879 3.789 ( 1.189 0.000 -7.488) 7.581 3.890 ( 0.969 0.000 4.835) 4.931 3.952 ( -0.337 0.000 -4.875) 4.887 3.990 ( 0.053 0.000 1.775) 1.776 5.336 ( -1.246 0.000 -1.665) 2.080 5.362 ( -0.690 0.000 0.600) 0.914 5.426 ( -6.401 0.000 -0.228) 6.405 5.519 ( -1.039 0.000 -2.380) 2.597 5.903 ( 2.142 0.000 -1.988) 2.923 5.922 ( 0.769 0.000 2.886) 2.987 6.014 ( 0.777 0.000 3.426) 3.514 6.186 ( 10.182 0.000 -0.707) 10.207 6.241 ( 1.361 0.000 3.316) 3.585 6.262 ( 3.157 0.000 -1.323) 3.423 6.419 ( -5.776 0.000 0.236) 5.781 6.502 ( 1.163 0.000 -4.927) 5.062 6.898 ( -2.745 0.000 -0.938) 2.901 6.920 ( -2.601 0.000 0.933) 2.764 6.966 ( -4.385 0.000 0.645) 4.432 6.993 ( -3.138 0.000 0.575) 3.190 7.153 ( 0.553 0.000 -0.122) 0.566 7.156 ( 0.756 0.000 0.417) 0.863 7.349 ( -0.808 0.000 -2.581) 2.705 7.402 ( 0.329 0.000 2.587) 2.608 7.869 ( -1.009 0.000 0.381) 1.079 7.890 ( -0.264 0.000 -0.117) 0.289 7.974 ( -2.284 0.000 2.255) 3.209 7.985 ( -0.659 0.000 -2.503) 2.589 ======================= Grid point 133 (63/81) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 7.415 0.000 -13.829) 15.691 0.746 ( 11.624 0.000 -11.993) 16.702 0.929 ( 6.808 0.000 6.781) 9.609 1.157 ( 4.201 0.000 17.026) 17.537 1.174 ( 8.185 0.000 -6.929) 10.724 1.266 ( 4.331 0.000 10.528) 11.384 1.293 ( 5.325 0.000 -0.021) 5.325 1.484 ( 12.672 0.000 -20.335) 23.960 1.577 ( 0.596 0.000 2.396) 2.469 1.593 ( 8.766 0.000 -12.934) 15.625 1.705 ( 1.352 0.000 12.329) 12.403 1.743 ( 0.316 0.000 -6.931) 6.938 1.833 ( 6.034 0.000 -11.267) 12.781 1.869 ( 2.614 0.000 9.999) 10.335 1.989 ( 5.930 0.000 12.973) 14.264 2.154 ( 3.287 0.000 2.343) 4.036 2.539 ( -3.278 0.000 2.010) 3.845 2.564 ( -1.889 0.000 1.358) 2.327 2.653 ( -1.513 0.000 -2.194) 2.665 2.732 ( -1.876 0.000 -0.287) 1.898 2.781 ( -2.774 0.000 -4.146) 4.988 2.853 ( -3.469 0.000 -2.974) 4.569 2.936 ( -2.464 0.000 3.309) 4.125 2.971 ( -4.491 0.000 1.038) 4.609 3.087 ( -4.308 0.000 -5.993) 7.381 3.098 ( -0.216 0.000 4.590) 4.595 3.174 ( -0.995 0.000 3.352) 3.497 3.206 ( -1.741 0.000 -3.549) 3.953 3.345 ( 1.419 0.000 -0.827) 1.643 3.379 ( 0.075 0.000 8.749) 8.750 3.451 ( 2.443 0.000 5.001) 5.565 3.569 ( 2.956 0.000 -0.790) 3.060 3.788 ( 2.898 0.000 -5.584) 6.291 3.902 ( -1.505 0.000 0.135) 1.511 3.909 ( -0.447 0.000 -5.946) 5.963 4.017 ( 1.501 0.000 2.003) 2.503 5.297 ( -1.722 0.000 -1.566) 2.328 5.307 ( -4.630 0.000 -2.557) 5.289 5.343 ( -1.351 0.000 -0.089) 1.354 5.468 ( -3.243 0.000 -0.309) 3.258 5.934 ( 1.356 0.000 0.329) 1.395 5.957 ( 1.272 0.000 2.163) 2.509 6.058 ( 2.113 0.000 -0.379) 2.147 6.249 ( -3.261 0.000 -1.850) 3.749 6.334 ( 5.057 0.000 -0.718) 5.108 6.346 ( 5.729 0.000 1.042) 5.824 6.420 ( 7.410 0.000 4.214) 8.524 6.501 ( 1.838 0.000 -3.891) 4.303 6.828 ( -3.956 0.000 -0.729) 4.023 6.855 ( -4.748 0.000 1.163) 4.888 6.869 ( -6.157 0.000 1.345) 6.302 6.917 ( -4.773 0.000 0.758) 4.833 7.168 ( 1.205 0.000 -0.280) 1.237 7.181 ( 1.483 0.000 0.584) 1.594 7.321 ( -0.470 0.000 -2.324) 2.371 7.423 ( 0.252 0.000 2.246) 2.260 7.855 ( -1.039 0.000 1.568) 1.881 7.869 ( -1.496 0.000 -1.406) 2.053 7.938 ( -2.341 0.000 -3.301) 4.047 7.942 ( -2.688 0.000 2.706) 3.814 ======================= Grid point 134 (64/81) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 8.545 0.000 -11.439) 14.278 0.964 ( 14.497 0.000 -1.339) 14.559 1.126 ( 9.374 0.000 5.354) 10.795 1.287 ( 7.504 0.000 -3.409) 8.243 1.362 ( 7.054 0.000 13.401) 15.144 1.429 ( 6.738 0.000 7.602) 10.158 1.433 ( 7.687 0.000 3.023) 8.260 1.547 ( -2.622 0.000 -2.531) 3.644 1.633 ( 11.522 0.000 -10.138) 15.347 1.702 ( 9.058 0.000 -6.618) 11.218 1.739 ( 4.325 0.000 -7.166) 8.370 1.796 ( 1.287 0.000 8.541) 8.637 1.884 ( 5.963 0.000 -10.332) 11.929 1.983 ( 2.655 0.000 7.400) 7.861 2.118 ( 1.919 0.000 3.749) 4.212 2.212 ( 1.768 0.000 1.417) 2.266 2.483 ( -3.754 0.000 2.433) 4.474 2.539 ( -1.178 0.000 -0.235) 1.201 2.577 ( -4.121 0.000 -2.912) 5.046 2.676 ( -4.074 0.000 -3.489) 5.364 2.683 ( -4.042 0.000 -1.562) 4.333 2.776 ( -2.675 0.000 -2.708) 3.806 2.841 ( -7.030 0.000 -2.284) 7.391 2.885 ( -5.472 0.000 -1.274) 5.618 2.980 ( -3.771 0.000 -1.266) 3.978 3.109 ( -2.610 0.000 2.342) 3.507 3.117 ( -5.437 0.000 -1.780) 5.721 3.130 ( -3.188 0.000 -0.749) 3.275 3.423 ( 4.643 0.000 4.787) 6.669 3.444 ( 0.562 0.000 9.480) 9.496 3.541 ( 3.155 0.000 5.705) 6.519 3.617 ( 2.540 0.000 0.777) 2.656 3.822 ( 2.884 0.000 -2.436) 3.775 3.849 ( -2.891 0.000 -2.404) 3.760 3.868 ( 0.382 0.000 -6.672) 6.683 4.054 ( 1.342 0.000 0.328) 1.382 5.225 ( -2.733 0.000 -1.595) 3.164 5.255 ( -1.913 0.000 -0.840) 2.090 5.311 ( -1.834 0.000 -0.755) 1.983 5.397 ( -4.080 0.000 0.071) 4.081 5.952 ( -0.121 0.000 1.800) 1.804 5.992 ( 1.087 0.000 1.540) 1.885 6.083 ( 1.307 0.000 -1.322) 1.859 6.166 ( -3.496 0.000 -1.408) 3.769 6.435 ( 5.719 0.000 -1.056) 5.816 6.478 ( 6.252 0.000 0.336) 6.261 6.519 ( 1.639 0.000 -1.949) 2.547 6.578 ( 5.552 0.000 3.128) 6.372 6.747 ( -3.538 0.000 -1.106) 3.707 6.758 ( -5.973 0.000 1.199) 6.092 6.770 ( -4.422 0.000 0.800) 4.494 6.850 ( -2.249 0.000 2.115) 3.087 7.198 ( 2.197 0.000 -0.525) 2.259 7.220 ( 2.297 0.000 0.747) 2.416 7.307 ( 0.412 0.000 -1.771) 1.818 7.438 ( 0.046 0.000 1.815) 1.816 7.817 ( -2.413 0.000 -2.934) 3.799 7.849 ( -0.987 0.000 2.674) 2.850 7.861 ( -3.218 0.000 -4.113) 5.222 7.909 ( -2.630 0.000 3.118) 4.079 ======================= Grid point 135 (65/81) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 10.250 0.000 -6.208) 11.983 1.224 ( 10.680 0.000 3.952) 11.388 1.349 ( 10.616 0.000 6.134) 12.261 1.417 ( 7.148 0.000 -0.010) 7.148 1.471 ( -2.772 0.000 -2.570) 3.780 1.576 ( 7.337 0.000 9.713) 12.173 1.591 ( 6.517 0.000 2.717) 7.061 1.603 ( 6.899 0.000 4.682) 8.337 1.732 ( 3.193 0.000 -0.239) 3.202 1.812 ( 8.725 0.000 -10.067) 13.322 1.857 ( 0.918 0.000 4.173) 4.273 1.874 ( 7.949 0.000 1.706) 8.130 1.921 ( 5.717 0.000 -10.788) 12.209 2.013 ( -1.850 0.000 0.016) 1.850 2.159 ( 1.365 0.000 1.284) 1.874 2.226 ( -0.802 0.000 0.867) 1.181 2.433 ( -3.107 0.000 2.122) 3.763 2.475 ( -4.866 0.000 -2.155) 5.322 2.517 ( -0.461 0.000 -2.044) 2.095 2.537 ( -5.764 0.000 -5.628) 8.056 2.629 ( -2.388 0.000 0.532) 2.446 2.683 ( -6.977 0.000 -4.203) 8.145 2.729 ( -0.680 0.000 -1.852) 1.973 2.759 ( -5.384 0.000 -1.852) 5.693 2.916 ( -3.553 0.000 1.611) 3.901 2.991 ( -6.581 0.000 -1.367) 6.721 3.017 ( -5.360 0.000 -1.377) 5.534 3.072 ( -3.583 0.000 -1.724) 3.976 3.504 ( -0.426 0.000 8.755) 8.765 3.517 ( 2.028 0.000 2.068) 2.897 3.636 ( 2.307 0.000 7.594) 7.936 3.698 ( 4.099 0.000 5.920) 7.201 3.778 ( -2.187 0.000 -3.705) 4.303 3.824 ( -0.323 0.000 -4.338) 4.350 3.872 ( 2.796 0.000 -3.259) 4.294 4.067 ( 0.528 0.000 -1.942) 2.012 5.178 ( -1.809 0.000 -0.220) 1.823 5.216 ( -1.846 0.000 0.100) 1.849 5.265 ( -2.199 0.000 -1.415) 2.615 5.318 ( -3.979 0.000 -0.385) 3.998 5.955 ( -0.592 0.000 1.633) 1.737 6.013 ( 0.307 0.000 0.906) 0.956 6.097 ( 0.713 0.000 -0.792) 1.065 6.105 ( -2.728 0.000 0.529) 2.779 6.497 ( -0.643 0.000 0.798) 1.025 6.532 ( 0.175 0.000 -2.328) 2.334 6.533 ( 0.753 0.000 0.128) 0.764 6.623 ( -1.975 0.000 -1.254) 2.340 6.677 ( -2.021 0.000 -0.260) 2.037 6.732 ( 0.851 0.000 -0.132) 0.861 6.735 ( 3.138 0.000 0.966) 3.283 6.876 ( 2.302 0.000 3.297) 4.021 7.243 ( 2.979 0.000 -1.032) 3.152 7.280 ( 3.331 0.000 1.301) 3.576 7.314 ( 1.249 0.000 -1.060) 1.638 7.447 ( -0.410 0.000 1.737) 1.785 7.751 ( -1.976 0.000 -3.847) 4.325 7.776 ( -2.571 0.000 -4.505) 5.187 7.845 ( -1.550 0.000 3.010) 3.385 7.881 ( -2.454 0.000 3.203) 4.035 ======================= Grid point 136 (66/81) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 11.318 0.000 -0.694) 11.339 1.392 ( 4.474 0.000 4.073) 6.050 1.420 ( -0.564 0.000 -2.449) 2.514 1.542 ( 4.605 0.000 2.713) 5.345 1.556 ( 4.986 0.000 4.420) 6.663 1.720 ( 2.160 0.000 2.711) 3.466 1.726 ( 6.914 0.000 2.998) 7.536 1.744 ( 4.249 0.000 6.947) 8.144 1.777 ( 1.122 0.000 0.246) 1.149 1.869 ( 2.748 0.000 -4.353) 5.148 1.879 ( 0.475 0.000 -1.211) 1.301 1.944 ( 5.968 0.000 -7.952) 9.942 1.976 ( -0.546 0.000 -0.627) 0.832 2.063 ( 7.552 0.000 2.469) 7.945 2.138 ( -1.583 0.000 -3.273) 3.636 2.239 ( 0.702 0.000 1.279) 1.459 2.376 ( -5.114 0.000 0.757) 5.169 2.380 ( -3.807 0.000 0.912) 3.914 2.412 ( -3.472 0.000 -4.868) 5.980 2.476 ( -3.038 0.000 -2.760) 4.105 2.561 ( -2.264 0.000 -2.959) 3.726 2.597 ( -1.590 0.000 1.109) 1.938 2.703 ( 0.309 0.000 0.255) 0.400 2.721 ( 0.542 0.000 -1.234) 1.348 2.861 ( -5.457 0.000 -1.619) 5.692 2.864 ( -3.338 0.000 2.294) 4.050 2.913 ( -4.407 0.000 -1.446) 4.639 2.975 ( -4.710 0.000 -3.035) 5.604 3.531 ( -1.824 0.000 6.510) 6.761 3.533 ( -0.052 0.000 -1.201) 1.202 3.688 ( -1.649 0.000 5.221) 5.476 3.764 ( 2.696 0.000 0.628) 2.768 3.783 ( -0.205 0.000 -5.583) 5.586 3.820 ( 3.111 0.000 7.146) 7.794 3.895 ( 1.291 0.000 -1.856) 2.261 4.049 ( -0.379 0.000 -4.207) 4.224 5.152 ( -1.108 0.000 0.738) 1.332 5.188 ( -1.308 0.000 0.818) 1.543 5.213 ( -2.076 0.000 -1.848) 2.780 5.247 ( -3.001 0.000 -0.930) 3.142 5.956 ( 0.005 0.000 0.850) 0.850 6.014 ( -0.642 0.000 0.298) 0.708 6.068 ( -1.870 0.000 1.820) 2.610 6.094 ( -0.430 0.000 -1.031) 1.117 6.464 ( -2.726 0.000 3.094) 4.124 6.501 ( -0.918 0.000 -3.024) 3.161 6.520 ( -2.268 0.000 2.133) 3.114 6.562 ( -2.186 0.000 -2.978) 3.694 6.691 ( 3.277 0.000 -1.852) 3.764 6.788 ( 4.137 0.000 0.474) 4.164 6.793 ( 1.478 0.000 0.487) 1.556 6.929 ( 0.963 0.000 1.740) 1.989 7.294 ( 3.318 0.000 -1.611) 3.689 7.339 ( 1.739 0.000 -0.542) 1.821 7.352 ( 2.691 0.000 1.875) 3.280 7.438 ( -1.839 0.000 1.814) 2.583 7.713 ( 0.717 0.000 -3.405) 3.480 7.723 ( 0.130 0.000 -4.151) 4.154 7.822 ( -2.679 0.000 2.563) 3.708 7.852 ( -2.802 0.000 2.865) 4.007 ======================= Grid point 137 (67/81) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 10.437 0.000 2.038) 10.634 1.426 ( 2.785 0.000 -3.037) 4.121 1.451 ( -1.389 0.000 5.465) 5.639 1.512 ( -5.914 0.000 -1.465) 6.093 1.676 ( 4.396 0.000 0.448) 4.419 1.719 ( -2.322 0.000 1.413) 2.718 1.737 ( 0.060 0.000 -1.542) 1.543 1.786 ( -2.417 0.000 0.748) 2.530 1.862 ( 2.398 0.000 0.989) 2.594 1.881 ( 0.319 0.000 -0.069) 0.327 1.958 ( 4.523 0.000 0.436) 4.544 1.979 ( -0.296 0.000 1.625) 1.652 2.010 ( 6.902 0.000 -3.442) 7.713 2.111 ( -0.794 0.000 -2.349) 2.479 2.190 ( 2.591 0.000 6.243) 6.760 2.239 ( 0.543 0.000 -5.923) 5.948 2.284 ( -3.432 0.000 1.441) 3.722 2.302 ( -3.611 0.000 -0.813) 3.702 2.367 ( -0.296 0.000 0.512) 0.591 2.399 ( -2.774 0.000 -1.603) 3.204 2.553 ( 1.876 0.000 -1.733) 2.554 2.579 ( -1.647 0.000 1.927) 2.535 2.725 ( 0.762 0.000 -0.922) 1.196 2.749 ( 1.352 0.000 0.230) 1.372 2.771 ( -0.809 0.000 0.540) 0.973 2.839 ( -1.000 0.000 2.273) 2.484 2.841 ( -2.871 0.000 -0.674) 2.949 2.871 ( -3.420 0.000 -3.543) 4.925 3.519 ( 0.160 0.000 -2.209) 2.215 3.522 ( -1.797 0.000 3.209) 3.678 3.698 ( -0.154 0.000 5.081) 5.083 3.738 ( -0.475 0.000 -5.994) 6.012 3.828 ( 1.834 0.000 3.686) 4.117 3.868 ( -0.135 0.000 -2.305) 2.309 3.934 ( 1.815 0.000 6.341) 6.595 4.003 ( -1.149 0.000 -6.048) 6.156 5.147 ( -0.013 0.000 1.411) 1.411 5.169 ( -1.243 0.000 -1.819) 2.203 5.179 ( -0.212 0.000 1.179) 1.198 5.198 ( -1.402 0.000 -1.230) 1.865 5.969 ( 1.017 0.000 0.336) 1.071 5.995 ( -1.355 0.000 -0.084) 1.358 6.058 ( -0.533 0.000 2.180) 2.245 6.073 ( -0.646 0.000 -1.827) 1.938 6.451 ( -0.952 0.000 4.067) 4.177 6.470 ( -0.172 0.000 -3.675) 3.679 6.501 ( -1.046 0.000 2.429) 2.644 6.514 ( -0.771 0.000 -2.944) 3.043 6.748 ( 3.147 0.000 -0.428) 3.176 6.793 ( -1.357 0.000 -0.198) 1.372 6.870 ( 3.722 0.000 0.652) 3.779 6.926 ( -1.794 0.000 0.077) 1.796 7.348 ( 3.408 0.000 -1.790) 3.849 7.369 ( 1.669 0.000 -0.605) 1.776 7.385 ( -0.291 0.000 1.290) 1.323 7.400 ( -3.148 0.000 1.727) 3.591 7.733 ( 2.832 0.000 -2.735) 3.937 7.740 ( 3.789 0.000 -2.522) 4.552 7.779 ( -3.319 0.000 2.233) 4.000 7.804 ( -3.954 0.000 2.311) 4.580 ======================= Grid point 144 (68/81) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 1.998 6.214 -2.758) 7.086 0.741 ( -1.998 6.214 2.758) 7.086 0.942 ( 0.797 1.579 -11.162) 11.301 0.942 ( -0.797 1.579 11.162) 11.301 1.011 ( 1.365 -0.611 -16.430) 16.498 1.011 ( -1.365 -0.611 16.430) 16.498 1.294 ( -2.087 -3.428 -8.397) 9.307 1.294 ( 2.087 -3.428 8.397) 9.307 1.522 ( 4.057 0.463 -21.964) 22.341 1.522 ( -4.057 0.463 21.964) 22.341 1.561 ( -0.215 2.989 -20.814) 21.028 1.561 ( 0.215 2.989 20.814) 21.028 1.783 ( 1.858 -1.709 -7.974) 8.364 1.783 ( -1.858 -1.709 7.974) 8.364 1.897 ( -3.355 -3.035 -9.256) 10.302 1.897 ( 3.355 -3.035 9.256) 10.302 2.582 ( 0.760 -1.463 -0.565) 1.743 2.582 ( -0.760 -1.463 0.565) 1.743 2.679 ( -0.491 2.391 -0.931) 2.612 2.679 ( 0.491 2.391 0.931) 2.612 2.910 ( -0.325 -0.223 -4.400) 4.418 2.910 ( 0.325 -0.223 4.400) 4.418 3.018 ( -2.270 -0.760 -4.732) 5.303 3.018 ( 2.270 -0.760 4.732) 5.303 3.112 ( 0.838 0.295 -3.089) 3.215 3.112 ( -0.838 0.295 3.089) 3.215 3.191 ( 3.790 -0.628 -2.788) 4.747 3.191 ( -3.790 -0.628 2.788) 4.747 3.352 ( -0.517 1.359 -1.032) 1.783 3.352 ( 0.517 1.359 1.032) 1.783 3.436 ( -2.514 -0.679 0.405) 2.635 3.436 ( 2.514 -0.679 -0.405) 2.635 3.827 ( -0.539 -0.453 -5.997) 6.038 3.827 ( 0.539 -0.453 5.997) 6.038 3.977 ( 0.034 -0.111 -2.423) 2.426 3.977 ( -0.034 -0.111 2.423) 2.426 5.370 ( -0.528 0.977 -1.240) 1.664 5.370 ( 0.528 0.977 1.240) 1.664 5.498 ( 2.484 -1.819 -2.815) 4.172 5.498 ( -2.484 -1.819 2.815) 4.172 5.901 ( 0.556 0.598 -3.158) 3.262 5.901 ( -0.556 0.598 3.158) 3.262 6.011 ( 5.788 -1.935 -5.474) 8.198 6.011 ( -5.788 -1.935 5.474) 8.198 6.239 ( 1.177 1.011 -1.669) 2.278 6.239 ( -1.177 1.011 1.669) 2.278 6.440 ( -0.216 -4.579 -0.919) 4.675 6.440 ( 0.216 -4.579 0.919) 4.675 6.931 ( 0.112 -0.099 -0.941) 0.953 6.931 ( -0.112 -0.099 0.941) 0.953 6.998 ( -0.209 -1.339 -0.469) 1.434 6.998 ( 0.209 -1.339 0.469) 1.434 7.187 ( -0.563 3.215 -0.186) 3.269 7.187 ( 0.563 3.215 0.186) 3.269 7.366 ( -0.546 -1.270 -2.439) 2.803 7.366 ( 0.546 -1.270 2.439) 2.803 7.882 ( 0.049 -0.391 -0.475) 0.617 7.882 ( -0.049 -0.391 0.475) 0.617 7.997 ( 0.804 0.261 -1.713) 1.910 7.997 ( -0.804 0.261 1.713) 1.910 ======================= Grid point 146 (69/81) ======================= q-point: ( 0.08 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 3.205 4.232 -9.962) 11.288 0.795 ( 6.078 7.918 -8.843) 13.335 0.881 ( 0.362 4.384 -1.733) 4.728 1.007 ( 1.207 -0.568 12.912) 12.981 1.042 ( 7.011 -1.338 -5.298) 8.889 1.129 ( 2.291 -0.272 13.056) 13.259 1.240 ( 1.236 -1.718 -5.259) 5.668 1.409 ( 5.339 -4.743 2.138) 7.454 1.459 ( 6.773 1.771 -23.716) 24.728 1.541 ( 6.513 0.645 -12.330) 13.959 1.597 ( 0.756 -0.725 12.657) 12.700 1.747 ( 3.412 1.299 16.407) 16.809 1.773 ( -0.480 -1.991 -5.561) 5.926 1.790 ( 2.571 -1.723 -6.498) 7.197 1.835 ( 1.532 0.035 7.793) 7.942 2.024 ( 4.217 -2.816 6.933) 8.589 2.573 ( -1.034 -0.487 1.387) 1.797 2.583 ( -0.889 -0.440 0.895) 1.336 2.678 ( 0.600 1.677 -1.157) 2.124 2.720 ( 2.133 0.589 0.622) 2.299 2.857 ( -2.315 -0.043 -4.723) 5.260 2.912 ( -2.973 -1.667 -1.710) 3.813 2.950 ( -0.967 0.700 2.603) 2.863 3.029 ( -2.534 -0.197 3.194) 4.082 3.112 ( -2.981 0.419 3.761) 4.817 3.139 ( 0.512 -0.341 0.794) 1.004 3.157 ( 2.041 0.697 -0.300) 2.177 3.239 ( 1.185 -0.753 -6.697) 6.843 3.317 ( -0.370 0.127 3.933) 3.952 3.378 ( 0.685 2.373 -0.235) 2.481 3.404 ( -1.682 -1.129 3.793) 4.300 3.501 ( 3.752 -0.728 -0.661) 3.879 3.786 ( 0.774 -0.199 -6.852) 6.898 3.862 ( 0.182 -2.179 1.342) 2.565 3.966 ( 0.282 0.928 -1.891) 2.125 3.991 ( 0.392 0.092 1.580) 1.630 5.340 ( -1.530 0.423 -1.758) 2.368 5.373 ( -0.758 1.096 0.536) 1.436 5.413 ( -5.637 -1.178 -0.759) 5.809 5.501 ( -1.087 -1.684 -1.730) 2.648 5.913 ( 2.077 0.841 -1.094) 2.493 5.932 ( 1.431 1.175 1.692) 2.509 5.997 ( 0.982 -1.528 3.248) 3.721 6.159 ( 10.732 -3.060 -0.835) 11.191 6.240 ( 0.938 0.105 1.939) 2.156 6.276 ( 2.538 1.001 -1.022) 2.914 6.358 ( -3.860 -3.869 -2.089) 5.851 6.472 ( 1.863 -2.681 -3.070) 4.482 6.902 ( -2.489 0.548 -0.499) 2.597 6.912 ( -2.616 -0.492 1.042) 2.859 6.953 ( -4.013 -1.059 0.666) 4.204 6.978 ( -2.809 -1.158 0.323) 3.055 7.180 ( -0.121 2.593 0.080) 2.597 7.201 ( 0.668 3.391 0.351) 3.474 7.337 ( -0.840 -1.200 -2.358) 2.775 7.389 ( 0.339 -1.328 2.419) 2.781 7.866 ( -1.263 -0.345 0.425) 1.377 7.880 ( -0.683 -0.857 0.106) 1.101 7.980 ( -1.710 0.500 1.034) 2.060 7.990 ( -0.732 0.397 -1.266) 1.515 ======================= Grid point 147 (70/81) ======================= q-point: ( 0.15 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 9.498 4.246 -11.565) 15.556 0.860 ( 7.536 8.154 -9.308) 14.489 0.968 ( 6.801 3.437 4.053) 8.631 1.141 ( 6.965 -1.999 1.807) 7.468 1.168 ( 5.508 -0.146 8.223) 9.899 1.262 ( 4.417 -0.325 10.178) 11.100 1.285 ( 5.036 -1.253 1.215) 5.330 1.489 ( 10.926 0.783 -19.005) 21.936 1.503 ( 2.770 -5.946 -0.126) 6.561 1.612 ( 8.191 1.114 -11.468) 14.137 1.696 ( 2.586 -1.111 4.425) 5.244 1.715 ( 1.168 -2.600 -3.625) 4.611 1.818 ( 4.257 -0.323 -5.668) 7.096 1.876 ( 2.870 -0.047 8.220) 8.707 2.004 ( 5.673 1.203 12.094) 13.413 2.129 ( 3.341 -2.134 3.225) 5.110 2.542 ( -3.368 0.171 1.880) 3.861 2.563 ( -1.863 0.021 1.305) 2.274 2.663 ( -1.426 1.064 -2.633) 3.178 2.728 ( -1.526 -0.204 -0.624) 1.661 2.777 ( -3.115 -0.409 -3.845) 4.965 2.833 ( -3.359 -1.729 -2.608) 4.591 2.951 ( -2.445 1.274 3.155) 4.190 2.979 ( -4.561 0.601 1.135) 4.738 3.077 ( -2.567 0.111 -1.737) 3.101 3.127 ( -1.805 1.407 1.790) 2.906 3.168 ( -0.666 -0.826 1.704) 2.007 3.203 ( -1.851 -0.034 -2.954) 3.486 3.350 ( 1.134 0.277 1.856) 2.193 3.397 ( 0.636 1.560 5.450) 5.704 3.440 ( 2.654 -0.645 4.579) 5.332 3.563 ( 3.031 -0.698 -0.358) 3.131 3.776 ( 2.068 -0.907 -5.496) 5.942 3.849 ( -0.221 -2.875 -3.629) 4.635 3.952 ( -0.823 1.984 -1.860) 2.841 4.019 ( 1.323 0.007 1.329) 1.875 5.296 ( -1.862 -0.051 -1.657) 2.493 5.304 ( -4.204 -0.247 -2.444) 4.868 5.353 ( -1.489 0.916 -0.145) 1.754 5.453 ( -3.021 -1.317 -0.272) 3.307 5.947 ( 1.417 1.053 0.186) 1.776 5.970 ( 1.310 1.367 2.012) 2.762 6.043 ( 2.143 -1.290 -0.209) 2.510 6.221 ( -3.770 -3.136 -1.825) 5.233 6.333 ( 6.010 -0.036 0.465) 6.028 6.356 ( 6.760 0.184 -0.134) 6.763 6.385 ( 8.132 -1.341 2.647) 8.656 6.490 ( 2.315 -1.090 -3.124) 4.038 6.835 ( -4.175 0.535 -0.503) 4.239 6.849 ( -4.655 -0.387 1.353) 4.863 6.863 ( -5.752 -0.463 1.233) 5.901 6.906 ( -4.617 -0.903 0.509) 4.732 7.185 ( 0.728 1.763 -0.026) 1.907 7.219 ( 1.142 3.169 0.355) 3.387 7.309 ( -0.470 -1.086 -2.133) 2.439 7.409 ( 0.252 -1.414 2.119) 2.560 7.842 ( -1.533 -0.907 0.358) 1.817 7.857 ( -1.668 -1.102 -0.354) 2.030 7.946 ( -2.140 0.864 -0.637) 2.394 7.957 ( -2.183 0.907 0.383) 2.395 ======================= Grid point 148 (71/81) ======================= q-point: ( 0.23 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 7.967 5.744 -9.396) 13.592 1.018 ( 12.447 4.896 -1.003) 13.413 1.151 ( 9.564 2.095 3.388) 10.361 1.273 ( 7.315 -1.135 -0.880) 7.454 1.354 ( 6.888 -1.247 10.639) 12.735 1.412 ( 6.780 -1.005 5.325) 8.680 1.438 ( 6.823 -0.687 6.534) 9.472 1.501 ( -0.693 -3.518 -0.983) 3.717 1.627 ( 10.995 -0.630 -9.245) 14.379 1.700 ( 6.714 -1.712 -7.500) 10.211 1.726 ( 7.026 0.766 -8.064) 10.723 1.807 ( 3.223 0.632 5.653) 6.538 1.863 ( 4.285 -1.001 -7.050) 8.310 1.975 ( 1.872 -1.153 6.549) 6.908 2.133 ( 2.492 0.925 4.059) 4.852 2.191 ( 2.091 -1.650 0.868) 2.801 2.480 ( -4.022 -0.158 1.887) 4.446 2.532 ( -1.792 -0.453 -0.136) 1.853 2.591 ( -3.937 1.182 -2.802) 4.975 2.671 ( -4.092 -0.386 -4.303) 5.951 2.683 ( -3.812 0.006 -0.825) 3.900 2.756 ( -2.888 -1.605 -2.858) 4.368 2.853 ( -6.786 1.035 -1.730) 7.079 2.894 ( -5.521 0.613 -0.826) 5.616 2.994 ( -3.792 1.405 -1.394) 4.278 3.100 ( -4.535 -0.420 -0.707) 4.609 3.120 ( -3.620 -0.009 0.855) 3.719 3.143 ( -2.925 0.626 -0.245) 3.002 3.419 ( 3.419 0.275 5.842) 6.774 3.468 ( 2.080 1.513 7.376) 7.812 3.531 ( 3.232 -0.645 5.769) 6.644 3.615 ( 2.348 -0.351 1.475) 2.796 3.779 ( 0.469 -2.083 -3.157) 3.811 3.835 ( 2.276 -1.644 -5.686) 6.341 3.914 ( -1.458 2.973 -2.606) 4.214 4.046 ( 1.002 -0.842 -0.156) 1.318 5.228 ( -2.613 0.259 -1.507) 3.028 5.252 ( -1.952 -0.263 -0.905) 2.168 5.317 ( -1.979 0.662 -0.692) 2.198 5.387 ( -3.798 -0.884 -0.027) 3.899 5.964 ( -0.067 1.078 1.410) 1.776 6.004 ( 0.977 1.125 1.618) 2.200 6.069 ( 1.193 -1.302 -1.063) 2.061 6.146 ( -2.999 -1.864 -0.937) 3.653 6.446 ( 5.367 0.941 -1.366) 5.617 6.474 ( 5.533 -0.264 -0.648) 5.578 6.525 ( 2.923 0.377 -0.944) 3.095 6.565 ( 6.768 -1.117 3.043) 7.504 6.747 ( -4.706 -0.090 0.127) 4.708 6.757 ( -4.890 -0.267 0.534) 4.926 6.770 ( -4.198 0.385 0.548) 4.251 6.837 ( -2.404 -1.083 1.626) 3.098 7.209 ( 1.881 1.108 -0.290) 2.203 7.250 ( 1.838 2.601 0.457) 3.218 7.297 ( 0.491 -0.899 -1.606) 1.905 7.424 ( 0.086 -1.439 1.688) 2.220 7.803 ( -2.201 -1.029 -2.043) 3.175 7.817 ( -2.125 -1.549 -1.022) 2.821 7.897 ( -2.187 1.836 -0.306) 2.872 7.921 ( -2.450 0.881 2.185) 3.398 ======================= Grid point 149 (72/81) ======================= q-point: ( 0.31 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 8.674 4.417 -5.786) 11.323 1.250 ( 9.396 2.176 3.810) 10.369 1.368 ( 10.791 0.571 2.908) 11.191 1.406 ( 4.755 -0.599 2.465) 5.390 1.432 ( 0.350 -3.060 -0.646) 3.147 1.566 ( 6.562 -1.072 5.540) 8.654 1.580 ( 7.176 -0.324 6.154) 9.458 1.619 ( 6.428 0.680 5.448) 8.453 1.729 ( 3.645 -0.161 -0.595) 3.697 1.820 ( 8.970 0.243 -9.661) 13.186 1.840 ( 6.828 -2.262 1.625) 7.375 1.878 ( 1.965 1.223 1.160) 2.589 1.893 ( 4.503 -1.143 -8.116) 9.352 2.003 ( -0.882 -1.107 0.796) 1.624 2.183 ( 1.849 1.265 0.567) 2.311 2.211 ( -0.195 -1.229 -0.355) 1.294 2.424 ( -3.047 -0.287 1.827) 3.564 2.475 ( -4.394 0.130 -1.950) 4.809 2.510 ( -2.516 -0.562 -2.015) 3.272 2.538 ( -5.151 -0.306 -4.663) 6.955 2.627 ( -2.564 -0.141 0.049) 2.568 2.682 ( -3.335 -1.865 -4.220) 5.693 2.712 ( -5.839 1.590 -1.800) 6.314 2.785 ( -3.870 1.209 -1.212) 4.232 2.919 ( -4.083 -0.090 0.517) 4.116 2.977 ( -6.625 -0.491 -1.025) 6.722 3.040 ( -4.727 1.272 -1.207) 5.041 3.076 ( -3.762 0.286 -1.796) 4.179 3.509 ( 1.246 0.931 7.106) 7.274 3.544 ( 1.326 1.859 4.482) 5.030 3.629 ( 2.354 -0.584 7.438) 7.824 3.678 ( 2.195 -1.594 4.602) 5.342 3.764 ( 0.790 -0.439 -2.888) 3.026 3.840 ( 1.093 -0.668 -6.520) 6.644 3.887 ( 0.540 2.454 -1.183) 2.777 4.052 ( 0.364 -1.446 -2.059) 2.543 5.182 ( -1.808 0.368 -0.205) 1.857 5.213 ( -1.845 -0.319 0.056) 1.873 5.270 ( -2.328 0.451 -1.304) 2.706 5.313 ( -3.776 -0.503 -0.468) 3.838 5.965 ( -0.607 0.992 1.528) 1.921 6.024 ( 0.288 0.940 0.786) 1.259 6.076 ( -0.547 -1.633 0.114) 1.726 6.100 ( -1.189 -0.633 0.029) 1.347 6.496 ( -1.058 -0.075 0.626) 1.231 6.511 ( 0.603 -0.754 -1.251) 1.580 6.562 ( 0.026 1.486 -1.007) 1.795 6.621 ( -1.798 -0.261 -1.308) 2.239 6.678 ( -1.237 0.239 -0.272) 1.289 6.726 ( 0.746 -0.551 -0.272) 0.966 6.752 ( 3.347 1.465 1.449) 3.930 6.862 ( 2.663 -1.293 3.160) 4.330 7.251 ( 2.852 0.774 -0.908) 3.091 7.296 ( 2.633 1.504 0.821) 3.141 7.308 ( 1.443 -0.483 -0.693) 1.672 7.432 ( -0.306 -1.364 1.628) 2.146 7.744 ( -1.915 -0.554 -3.378) 3.923 7.759 ( -2.145 -1.166 -3.356) 4.150 7.867 ( -1.865 1.593 1.972) 3.147 7.891 ( -2.304 0.819 2.657) 3.611 ======================= Grid point 150 (73/81) ======================= q-point: ( 0.38 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 9.781 1.652 -1.010) 9.971 1.367 ( 1.064 -2.713 -0.226) 2.923 1.425 ( 3.280 0.753 1.554) 3.706 1.526 ( 3.499 -1.574 2.152) 4.400 1.576 ( 5.100 1.881 5.265) 7.567 1.698 ( 4.175 -1.526 3.321) 5.549 1.725 ( 2.641 -0.655 2.620) 3.778 1.744 ( 2.993 -0.656 4.798) 5.693 1.776 ( 2.776 0.672 1.506) 3.229 1.859 ( 1.865 -0.363 -1.536) 2.443 1.904 ( 1.970 2.115 -2.375) 3.741 1.942 ( 6.082 0.296 -6.636) 9.006 1.983 ( 1.353 -0.265 -1.028) 1.720 2.022 ( 6.843 -3.084 1.056) 7.580 2.169 ( -1.217 2.165 -2.960) 3.864 2.226 ( 1.258 -1.102 -0.464) 1.735 2.372 ( -4.441 0.111 1.450) 4.673 2.385 ( -3.963 0.323 0.661) 4.031 2.408 ( -3.373 -0.242 -3.976) 5.220 2.464 ( -3.483 -1.006 -1.990) 4.135 2.570 ( -1.937 0.210 -2.080) 2.850 2.610 ( -1.500 1.212 -0.509) 1.995 2.642 ( -0.931 -2.883 -0.684) 3.106 2.752 ( 0.213 0.806 -0.131) 0.843 2.829 ( -5.405 -1.765 -1.034) 5.779 2.874 ( -3.578 0.394 1.676) 3.971 2.944 ( -4.062 1.923 -1.960) 4.903 2.979 ( -4.630 0.333 -2.943) 5.496 3.551 ( -0.531 2.253 4.416) 4.986 3.567 ( -0.504 2.725 1.715) 3.259 3.677 ( -1.256 -0.882 5.552) 5.761 3.748 ( 2.865 -1.459 2.880) 4.317 3.781 ( 0.717 -0.218 -3.820) 3.893 3.831 ( 2.005 0.356 0.556) 2.111 3.900 ( 1.021 0.899 -0.550) 1.467 4.034 ( -0.356 -1.507 -3.976) 4.266 5.156 ( -1.128 0.343 0.725) 1.384 5.185 ( -1.306 -0.327 0.780) 1.555 5.217 ( -2.144 0.326 -1.724) 2.770 5.244 ( -2.914 -0.288 -0.982) 3.088 5.965 ( -0.093 0.881 0.934) 1.287 6.024 ( -0.645 0.870 0.171) 1.097 6.055 ( -1.501 -1.168 1.604) 2.488 6.089 ( -0.551 -0.549 -0.781) 1.102 6.461 ( -2.586 -0.145 2.781) 3.800 6.489 ( -1.469 -0.868 -0.649) 1.825 6.530 ( -1.981 0.712 -0.268) 2.122 6.562 ( -2.190 -0.078 -2.834) 3.583 6.702 ( 3.355 0.991 -1.643) 3.865 6.769 ( 3.060 -0.851 -0.183) 3.181 6.825 ( 2.603 1.972 1.161) 3.466 6.923 ( 1.336 -0.648 1.820) 2.349 7.299 ( 3.027 0.479 -1.763) 3.536 7.335 ( 1.967 -0.309 -0.843) 2.162 7.358 ( 2.227 0.586 2.135) 3.140 7.427 ( -1.522 -0.986 1.942) 2.657 7.706 ( 0.402 -0.475 -3.035) 3.099 7.714 ( 0.041 -0.665 -3.508) 3.571 7.840 ( -2.396 1.398 2.003) 3.421 7.862 ( -2.586 0.806 2.390) 3.613 ======================= Grid point 151 (74/81) ======================= q-point: ( 0.46 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 9.294 -0.885 1.707) 9.491 1.397 ( 3.283 -2.243 -1.423) 4.223 1.457 ( -2.415 0.208 2.995) 3.853 1.504 ( -5.495 -0.819 -0.724) 5.602 1.671 ( 3.239 -0.283 -0.419) 3.278 1.706 ( -1.731 -0.766 1.150) 2.215 1.732 ( 0.993 -0.908 -0.773) 1.552 1.771 ( -1.783 -1.372 1.824) 2.896 1.870 ( 1.422 1.057 4.680) 5.004 1.904 ( 1.253 2.183 -4.536) 5.188 1.960 ( 3.918 -0.192 1.849) 4.337 1.981 ( 0.958 0.304 -0.878) 1.334 2.029 ( 5.797 1.405 -2.002) 6.292 2.129 ( -1.851 0.918 -2.202) 3.019 2.156 ( 4.075 -1.902 4.402) 6.293 2.232 ( -0.069 -1.096 -3.679) 3.839 2.295 ( -2.634 1.028 0.400) 2.856 2.312 ( -2.798 0.861 -0.615) 2.992 2.361 ( -1.114 -0.387 0.645) 1.344 2.387 ( -2.949 -0.839 -1.047) 3.240 2.560 ( 1.415 0.374 -1.122) 1.845 2.585 ( -1.720 0.755 1.504) 2.407 2.661 ( 2.714 -3.899 -1.236) 4.909 2.720 ( -3.877 -2.944 -0.348) 4.880 2.792 ( 1.996 1.459 2.029) 3.198 2.845 ( -1.009 0.181 1.174) 1.558 2.870 ( -2.750 1.775 -1.406) 3.563 2.880 ( -2.942 0.811 -2.880) 4.197 3.553 ( -0.405 3.150 0.759) 3.265 3.558 ( -0.874 3.225 0.618) 3.398 3.697 ( -0.086 -0.191 5.790) 5.793 3.739 ( -0.308 -0.223 -6.403) 6.414 3.821 ( 1.731 -0.582 3.833) 4.245 3.858 ( 0.094 -0.985 -2.120) 2.339 3.934 ( 1.386 0.065 4.767) 4.965 3.991 ( -1.006 -1.070 -5.375) 5.572 5.151 ( -0.033 0.287 1.359) 1.389 5.171 ( -1.025 0.036 -1.033) 1.456 5.178 ( -0.425 -0.040 0.463) 0.630 5.195 ( -1.392 -0.226 -1.236) 1.875 5.977 ( 0.917 0.742 0.471) 1.270 6.002 ( -1.395 0.719 -0.171) 1.579 6.049 ( -0.212 -0.749 1.792) 1.954 6.067 ( -0.799 -0.568 -1.526) 1.814 6.449 ( -0.838 -0.141 3.591) 3.691 6.464 ( -0.327 -0.488 -2.079) 2.161 6.503 ( -0.889 0.203 0.979) 1.338 6.514 ( -0.874 -0.037 -2.643) 2.784 6.759 ( 2.979 0.945 -0.350) 3.145 6.796 ( -0.528 0.201 -0.264) 0.623 6.880 ( 2.857 0.910 0.676) 3.073 6.926 ( -1.472 -0.045 0.145) 1.479 7.343 ( 2.625 -0.285 -1.549) 3.061 7.362 ( 1.037 -0.573 -0.903) 1.490 7.391 ( 0.036 0.421 1.244) 1.314 7.401 ( -2.037 0.091 1.841) 2.747 7.719 ( 1.793 -0.898 -1.982) 2.820 7.720 ( 1.767 -1.106 -1.214) 2.413 7.807 ( -1.513 1.790 0.957) 2.532 7.821 ( -2.751 1.251 1.480) 3.365 ======================= Grid point 158 (75/81) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -1.840 5.047 -7.626) 9.328 0.871 ( 1.840 5.047 7.626) 9.328 0.957 ( 1.436 -1.202 -11.371) 11.524 0.957 ( -1.436 -1.202 11.371) 11.524 1.031 ( -1.659 3.370 -5.949) 7.036 1.031 ( 1.659 3.370 5.949) 7.036 1.196 ( -0.818 -5.266 -5.289) 7.508 1.196 ( 0.818 -5.266 5.289) 7.508 1.523 ( 1.716 -0.059 -7.984) 8.166 1.523 ( -1.716 -0.059 7.984) 8.166 1.654 ( -1.136 4.980 -17.315) 18.053 1.654 ( 1.136 4.980 17.315) 18.053 1.751 ( 0.627 -1.146 -1.690) 2.137 1.751 ( -0.627 -1.146 1.690) 2.137 1.814 ( -2.201 -4.368 -9.826) 10.976 1.814 ( 2.201 -4.368 9.826) 10.976 2.563 ( 0.299 -0.457 -0.120) 0.559 2.563 ( -0.299 -0.457 0.120) 0.559 2.716 ( -0.181 0.991 -0.389) 1.079 2.716 ( 0.181 0.991 0.389) 1.079 2.910 ( -0.215 0.162 -2.216) 2.233 2.910 ( 0.215 0.162 2.216) 2.233 3.006 ( -1.375 -0.308 -2.749) 3.088 3.006 ( 1.375 -0.308 2.749) 3.088 3.107 ( 0.068 -0.427 -1.861) 1.911 3.107 ( -0.068 -0.427 1.861) 1.911 3.181 ( 1.323 -0.232 -1.497) 2.012 3.181 ( -1.323 -0.232 1.497) 2.012 3.385 ( -1.495 1.605 -0.781) 2.328 3.385 ( 1.495 1.605 0.781) 2.328 3.417 ( -2.007 -1.145 -0.200) 2.319 3.417 ( 2.007 -1.145 0.200) 2.319 3.818 ( -0.245 -0.304 -2.277) 2.310 3.818 ( 0.245 -0.304 2.277) 2.310 3.975 ( -0.027 -0.050 -0.876) 0.878 3.975 ( 0.027 -0.050 0.876) 0.878 5.401 ( -1.035 2.033 -1.169) 2.563 5.401 ( 1.035 2.033 1.169) 2.563 5.450 ( -0.430 -2.604 -1.315) 2.949 5.450 ( 0.430 -2.604 1.315) 2.949 5.918 ( 1.288 0.926 -3.154) 3.530 5.918 ( -1.288 0.926 3.154) 3.530 5.968 ( 3.254 -1.768 -4.275) 5.656 5.968 ( -3.254 -1.768 4.275) 5.656 6.270 ( -1.195 1.801 -0.625) 2.250 6.270 ( 1.195 1.801 0.625) 2.250 6.351 ( -2.599 -3.408 -1.003) 4.402 6.351 ( 2.599 -3.408 1.003) 4.402 6.940 ( 0.298 0.914 -0.852) 1.285 6.940 ( -0.298 0.914 0.852) 1.285 6.968 ( 0.027 -1.396 -0.765) 1.592 6.968 ( -0.027 -1.396 0.765) 1.592 7.259 ( -0.601 3.399 -0.963) 3.584 7.259 ( 0.601 3.399 0.963) 3.584 7.326 ( -0.575 -2.471 -1.867) 3.150 7.326 ( 0.575 -2.471 1.867) 3.150 7.872 ( 0.064 -0.386 -0.280) 0.481 7.872 ( -0.064 -0.386 0.280) 0.481 8.003 ( 0.254 0.182 -0.591) 0.669 8.003 ( -0.254 0.182 0.591) 0.669 ======================= Grid point 160 (76/81) ======================= q-point: ( 0.08 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 3.852 5.806 -11.163) 13.159 0.934 ( 4.715 -3.685 -11.033) 12.552 0.966 ( 3.589 6.863 0.797) 7.786 1.010 ( 1.484 4.511 7.677) 9.027 1.037 ( 2.957 0.866 5.473) 6.281 1.120 ( 2.772 -1.548 7.980) 8.589 1.183 ( 2.237 -1.623 -1.972) 3.396 1.272 ( 3.844 -7.478 2.768) 8.852 1.535 ( 6.143 4.068 -20.211) 21.513 1.564 ( 4.559 2.156 -11.517) 12.573 1.577 ( 2.861 -0.728 3.583) 4.643 1.674 ( -0.653 -5.780 -10.280) 11.812 1.773 ( 2.014 -0.054 1.217) 2.353 1.778 ( 1.273 -0.137 7.842) 7.946 1.865 ( 4.420 3.384 13.642) 14.734 1.949 ( 4.120 -4.212 10.651) 12.172 2.568 ( -0.077 0.113 1.171) 1.179 2.574 ( 0.136 -0.428 0.800) 0.917 2.712 ( 0.011 1.363 -0.824) 1.593 2.727 ( 0.508 -0.093 -0.027) 0.517 2.862 ( -2.879 0.542 -4.235) 5.150 2.881 ( -3.334 -1.276 -3.374) 4.912 2.974 ( -0.354 1.560 3.610) 3.948 3.009 ( -1.202 -1.613 3.846) 4.340 3.121 ( -2.222 0.467 3.679) 4.324 3.131 ( -0.903 -0.484 2.247) 2.469 3.179 ( 2.661 1.441 -2.115) 3.692 3.213 ( 2.734 -1.697 -4.483) 5.518 3.335 ( -2.127 1.563 2.487) 3.626 3.372 ( -2.174 -1.783 2.782) 3.955 3.433 ( 2.186 2.579 -0.586) 3.431 3.477 ( 3.317 -1.664 -0.642) 3.766 3.789 ( -0.018 0.656 -4.950) 4.993 3.816 ( -0.328 -1.973 -2.115) 2.911 3.982 ( 0.716 0.633 0.112) 0.962 3.991 ( 0.799 -0.203 1.049) 1.334 5.355 ( -2.452 1.063 -1.900) 3.279 5.382 ( -4.021 -1.490 -1.536) 4.556 5.407 ( -0.818 2.052 0.171) 2.215 5.456 ( -1.021 -2.493 -0.509) 2.741 5.932 ( 1.505 1.127 1.408) 2.348 5.961 ( 1.038 -1.648 2.755) 3.374 5.977 ( 4.232 3.229 -1.677) 5.581 6.065 ( 7.554 -5.107 -2.615) 9.486 6.250 ( 0.566 0.835 0.136) 1.018 6.272 ( -0.542 -1.251 -1.465) 2.002 6.344 ( 2.670 2.204 -0.116) 3.464 6.406 ( 2.914 -3.440 -0.650) 4.555 6.910 ( -2.931 0.436 0.678) 3.039 6.920 ( -2.696 0.705 0.378) 2.812 6.931 ( -3.148 -0.591 0.336) 3.221 6.951 ( -2.510 -1.407 0.241) 2.888 7.241 ( -0.589 3.075 -0.798) 3.231 7.275 ( 0.515 3.179 0.715) 3.299 7.302 ( -0.812 -1.791 -1.425) 2.428 7.347 ( 0.357 -2.729 1.922) 3.357 7.858 ( -1.283 -0.238 0.125) 1.311 7.862 ( -1.108 -0.658 0.177) 1.300 7.991 ( -1.141 0.468 0.299) 1.269 7.996 ( -0.846 0.054 -0.175) 0.865 ======================= Grid point 161 (77/81) ======================= q-point: ( 0.15 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 9.089 6.708 -8.813) 14.327 1.006 ( 8.430 -2.953 -6.720) 11.178 1.037 ( 4.468 7.706 0.109) 8.908 1.133 ( 6.966 4.280 1.340) 8.284 1.148 ( 4.267 -2.792 8.065) 9.542 1.233 ( 5.673 -3.544 3.128) 7.384 1.265 ( 3.997 1.233 9.027) 9.949 1.354 ( 2.956 -7.329 2.090) 8.174 1.535 ( 7.594 3.466 -15.848) 17.912 1.616 ( 5.203 -3.258 -14.500) 15.746 1.652 ( 6.536 0.303 -5.830) 8.764 1.678 ( 7.031 -1.343 -2.699) 7.650 1.830 ( 2.064 1.219 3.322) 4.096 1.859 ( 1.996 -1.411 7.776) 8.151 2.034 ( 4.748 1.824 9.490) 10.767 2.079 ( 3.806 -2.491 5.976) 7.511 2.549 ( -2.996 0.581 1.550) 3.423 2.561 ( -2.348 -0.410 1.475) 2.803 2.694 ( -1.086 1.771 -2.931) 3.592 2.722 ( -0.672 -0.667 -2.110) 2.313 2.770 ( -3.984 0.194 -2.761) 4.851 2.794 ( -3.492 -1.825 -2.381) 4.603 2.977 ( -3.130 1.049 2.641) 4.228 2.988 ( -4.095 0.070 1.661) 4.420 3.092 ( -1.372 1.250 0.536) 1.932 3.124 ( -0.328 -1.680 2.196) 2.785 3.171 ( -2.713 1.517 -1.407) 3.412 3.198 ( -2.139 -0.781 -1.806) 2.907 3.360 ( 1.794 0.956 4.115) 4.589 3.390 ( 1.824 -1.679 4.401) 5.051 3.474 ( 2.288 3.176 1.697) 4.267 3.533 ( 2.799 -2.266 0.424) 3.626 3.767 ( 1.050 0.354 -5.073) 5.192 3.794 ( 0.579 -2.195 -4.333) 4.892 3.988 ( -0.057 1.494 -0.758) 1.676 4.012 ( 0.757 -0.753 0.214) 1.089 5.296 ( -2.366 0.051 -1.907) 3.039 5.299 ( -3.253 -0.233 -2.207) 3.937 5.380 ( -1.874 1.685 -0.192) 2.527 5.419 ( -2.466 -1.931 -0.216) 3.139 5.971 ( 1.630 1.352 0.556) 2.189 5.999 ( 1.512 -0.631 1.118) 1.983 6.034 ( 1.635 2.662 -0.336) 3.143 6.125 ( -0.522 -5.313 -1.153) 5.462 6.333 ( 7.131 0.079 0.679) 7.164 6.339 ( 8.579 -0.607 0.647) 8.625 6.410 ( 4.452 2.244 -0.427) 5.004 6.457 ( 3.435 -2.091 -1.697) 4.365 6.840 ( -4.919 0.099 0.823) 4.988 6.846 ( -5.255 -0.335 1.078) 5.375 6.863 ( -4.218 0.786 0.429) 4.312 6.884 ( -4.343 -1.146 0.331) 4.504 7.231 ( 0.068 2.395 -0.749) 2.510 7.276 ( -0.114 -1.690 -1.753) 2.438 7.295 ( 0.432 3.480 1.050) 3.661 7.364 ( 0.326 -2.863 1.680) 3.335 7.828 ( -1.765 -0.271 -0.206) 1.797 7.834 ( -1.790 -0.826 -0.215) 1.983 7.964 ( -1.858 0.684 0.100) 1.982 7.969 ( -1.867 0.183 0.221) 1.889 ======================= Grid point 162 (78/81) ======================= q-point: ( 0.23 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 7.917 7.761 -5.405) 12.333 1.134 ( 7.745 3.560 -0.863) 8.567 1.161 ( 9.236 -0.662 -1.862) 9.445 1.275 ( 4.723 -5.505 3.076) 7.879 1.286 ( 7.206 3.064 3.634) 8.633 1.376 ( 6.798 -3.531 3.018) 8.233 1.419 ( 5.451 -0.105 7.623) 9.371 1.438 ( 5.142 -2.125 8.408) 10.083 1.625 ( 9.424 0.669 -9.218) 13.199 1.654 ( 6.559 -2.057 -7.956) 10.514 1.762 ( 8.739 2.069 -8.568) 12.413 1.798 ( 7.997 -1.317 -6.042) 10.109 1.879 ( 0.639 2.294 4.119) 4.758 1.934 ( 0.893 -2.643 6.225) 6.821 2.143 ( 2.480 0.302 3.367) 4.193 2.159 ( 2.365 -1.291 1.162) 2.934 2.489 ( -3.632 1.133 1.203) 3.991 2.516 ( -2.776 -1.181 0.836) 3.131 2.622 ( -4.312 1.728 -3.601) 5.878 2.655 ( -4.474 -1.300 -4.634) 6.571 2.691 ( -3.037 0.971 -0.919) 3.319 2.720 ( -2.866 -1.727 -2.318) 4.071 2.878 ( -6.269 1.220 -0.861) 6.444 2.897 ( -5.770 -0.476 -0.426) 5.806 3.037 ( -4.529 2.581 -1.856) 5.534 3.085 ( -5.124 -1.661 -1.838) 5.691 3.121 ( -2.526 0.663 1.595) 3.060 3.141 ( -2.740 -0.826 0.647) 2.934 3.439 ( 3.334 1.552 5.658) 6.749 3.472 ( 3.185 -1.287 5.614) 6.582 3.546 ( 2.597 2.167 5.496) 6.454 3.592 ( 2.116 -1.925 3.392) 4.438 3.762 ( 1.494 0.577 -4.425) 4.706 3.793 ( 2.310 -2.117 -5.297) 6.154 3.972 ( -0.648 2.595 -1.771) 3.208 4.018 ( 0.234 -1.839 -1.050) 2.131 5.235 ( -2.339 0.422 -1.301) 2.709 5.244 ( -2.087 -0.424 -1.076) 2.386 5.337 ( -2.435 1.190 -0.517) 2.759 5.364 ( -3.131 -1.325 -0.265) 3.410 5.994 ( 0.319 1.750 0.604) 1.879 6.029 ( 0.929 -0.730 1.012) 1.555 6.045 ( 0.083 1.122 -0.046) 1.126 6.096 ( -1.531 -2.780 0.132) 3.176 6.465 ( 4.589 0.658 -2.132) 5.103 6.471 ( 4.854 -0.069 -1.761) 5.164 6.531 ( 5.576 0.301 0.912) 5.658 6.543 ( 7.489 -0.862 2.455) 7.928 6.745 ( -5.203 -0.025 0.838) 5.270 6.749 ( -4.922 -0.382 0.746) 4.993 6.787 ( -3.366 1.109 0.288) 3.555 6.812 ( -2.838 -1.245 0.852) 3.214 7.239 ( 1.290 1.649 -0.658) 2.195 7.272 ( 0.834 -1.496 -1.341) 2.175 7.315 ( 0.931 3.398 0.844) 3.623 7.380 ( 0.331 -2.768 1.302) 3.077 7.788 ( -2.035 -0.338 -1.532) 2.569 7.792 ( -2.109 -0.773 -1.434) 2.665 7.927 ( -2.108 0.948 0.630) 2.396 7.934 ( -2.192 0.223 1.234) 2.526 ======================= Grid point 163 (79/81) ======================= q-point: ( 0.31 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 5.360 7.466 -4.697) 10.322 1.262 ( 3.275 -5.725 -1.980) 6.887 1.318 ( 7.605 1.054 1.701) 7.864 1.368 ( 6.235 -2.601 1.793) 6.990 1.466 ( 7.632 3.902 7.258) 11.232 1.532 ( 6.669 -2.287 5.237) 8.783 1.584 ( 6.841 0.764 6.465) 9.444 1.611 ( 6.396 -1.403 7.147) 9.693 1.735 ( 5.383 0.925 -1.746) 5.734 1.771 ( 8.206 -2.593 -2.447) 8.947 1.850 ( 4.482 1.173 -7.155) 8.524 1.868 ( 5.280 -0.497 -8.941) 10.395 1.926 ( 2.024 2.219 2.438) 3.868 1.970 ( 0.633 -1.990 2.217) 3.045 2.184 ( 1.208 -0.342 0.039) 1.256 2.192 ( 1.749 -0.813 -1.920) 2.721 2.439 ( -2.558 1.536 1.373) 3.285 2.469 ( -2.893 -1.043 -0.238) 3.084 2.505 ( -5.134 0.434 -2.270) 5.630 2.523 ( -5.746 -0.996 -4.368) 7.286 2.629 ( -2.931 0.459 -1.373) 3.269 2.648 ( -3.209 -1.289 -3.199) 4.711 2.756 ( -5.401 2.148 -1.295) 5.954 2.790 ( -4.274 -0.875 -0.883) 4.452 2.927 ( -5.563 1.319 -1.118) 5.826 2.961 ( -6.232 -1.427 -0.918) 6.459 3.062 ( -3.811 0.916 -1.161) 4.088 3.076 ( -3.852 -0.383 -1.438) 4.130 3.540 ( 2.481 1.805 7.329) 7.946 3.567 ( 2.387 -0.267 6.663) 7.083 3.625 ( 1.570 0.637 5.945) 6.182 3.647 ( 1.122 -1.270 4.514) 4.822 3.769 ( 2.079 1.084 -4.125) 4.745 3.805 ( 2.278 -2.117 -5.477) 6.299 3.949 ( -0.331 3.184 -1.949) 3.747 4.010 ( -0.008 -2.595 -2.191) 3.397 5.192 ( -1.814 0.567 -0.150) 1.907 5.204 ( -1.832 -0.533 -0.050) 1.908 5.283 ( -2.716 0.752 -1.023) 2.998 5.299 ( -3.274 -0.789 -0.703) 3.441 5.995 ( -0.662 1.809 1.232) 2.287 6.036 ( -0.703 -2.078 0.581) 2.269 6.049 ( 0.096 1.411 0.739) 1.596 6.079 ( -0.368 -1.344 0.203) 1.408 6.495 ( -0.983 0.086 -0.095) 0.991 6.500 ( -0.138 -0.369 -0.846) 0.933 6.591 ( -0.758 1.217 -1.099) 1.806 6.611 ( -1.401 -0.726 -1.283) 2.034 6.689 ( 0.210 0.848 -0.315) 0.929 6.709 ( 0.882 -0.977 -0.303) 1.351 6.789 ( 3.355 1.940 2.162) 4.438 6.828 ( 3.159 -1.848 2.772) 4.591 7.271 ( 2.482 1.043 -0.860) 2.827 7.292 ( 1.963 -0.938 -1.078) 2.428 7.341 ( 1.219 2.517 1.246) 3.062 7.393 ( 0.171 -2.358 1.378) 2.736 7.735 ( -1.769 -0.161 -2.876) 3.380 7.740 ( -1.809 -0.616 -2.826) 3.411 7.895 ( -2.010 1.000 1.676) 2.802 7.904 ( -2.109 0.197 1.972) 2.894 ======================= Grid point 164 (80/81) ======================= q-point: ( 0.38 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 6.076 3.868 -1.645) 7.388 1.286 ( 2.332 -4.695 -1.872) 5.567 1.450 ( 3.840 1.554 2.833) 5.019 1.487 ( 3.406 -2.012 2.689) 4.784 1.621 ( 3.716 2.221 4.072) 5.944 1.662 ( 3.677 -1.865 2.898) 5.040 1.711 ( 1.270 -0.393 2.622) 2.940 1.718 ( 0.603 -1.109 3.153) 3.396 1.812 ( 4.034 2.604 4.628) 6.668 1.857 ( 2.610 -0.767 3.742) 4.626 1.936 ( 7.332 -0.894 -4.296) 8.545 1.943 ( 6.896 -1.371 -5.565) 8.967 1.957 ( 2.329 2.100 -0.834) 3.245 1.990 ( 1.728 -0.859 -2.244) 2.960 2.198 ( 0.978 0.649 -2.357) 2.633 2.209 ( 1.380 -0.452 -2.730) 3.092 2.379 ( -4.341 0.411 -0.551) 4.395 2.388 ( -4.323 -0.362 -1.127) 4.482 2.413 ( -3.037 1.017 0.543) 3.249 2.439 ( -3.289 -1.351 -0.150) 3.559 2.568 ( -1.697 -0.084 -1.792) 2.470 2.580 ( -0.838 -1.487 -2.843) 3.316 2.670 ( -3.502 2.877 0.022) 4.532 2.729 ( -2.641 -2.649 -0.515) 3.776 2.829 ( -3.453 1.556 -0.055) 3.788 2.864 ( -3.433 -1.386 0.582) 3.748 2.975 ( -3.932 0.970 -2.379) 4.697 2.984 ( -4.300 -0.013 -2.580) 5.014 3.610 ( -0.048 2.818 7.161) 7.696 3.629 ( 1.035 2.578 2.134) 3.503 3.658 ( -1.107 -0.566 5.907) 6.037 3.702 ( 1.715 -2.894 1.947) 3.887 3.786 ( 1.933 0.957 -2.851) 3.575 3.816 ( 1.963 -1.528 -3.053) 3.938 3.938 ( 0.176 2.500 -1.243) 2.797 3.991 ( -0.233 -2.467 -3.085) 3.957 5.165 ( -1.187 0.530 0.709) 1.481 5.176 ( -1.261 -0.513 0.729) 1.545 5.226 ( -2.367 0.484 -1.448) 2.817 5.236 ( -2.671 -0.471 -1.160) 2.949 5.990 ( -0.405 1.540 1.153) 1.966 6.025 ( -0.930 -1.689 1.404) 2.385 6.047 ( -0.605 1.275 -0.169) 1.421 6.072 ( -0.612 -1.090 -0.476) 1.337 6.462 ( -2.301 0.228 2.006) 3.061 6.472 ( -1.955 -0.729 0.934) 2.286 6.545 ( -1.993 0.708 -1.740) 2.739 6.557 ( -2.117 -0.424 -2.477) 3.286 6.727 ( 3.349 1.289 -1.170) 3.775 6.751 ( 3.195 -1.030 -0.690) 3.427 6.867 ( 2.495 1.984 1.637) 3.584 6.902 ( 2.046 -1.384 1.857) 3.090 7.313 ( 2.566 0.734 -1.876) 3.263 7.326 ( 2.285 -0.547 -1.474) 2.774 7.375 ( 1.012 1.077 2.450) 2.861 7.402 ( -0.520 -1.388 2.265) 2.707 7.699 ( 0.126 -0.121 -2.732) 2.737 7.702 ( 0.032 -0.394 -2.881) 2.908 7.866 ( -2.211 0.976 1.629) 2.915 7.875 ( -2.311 0.198 1.806) 2.940 ======================= Grid point 165 (81/81) ======================= q-point: ( 0.46 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 6.809 0.434 0.683) 6.857 1.348 ( 4.580 -2.258 -0.653) 5.148 1.462 ( -3.784 0.520 1.344) 4.050 1.481 ( -4.706 -1.222 0.336) 4.874 1.674 ( 1.904 0.728 -0.469) 2.092 1.701 ( 1.492 -1.694 -0.800) 2.395 1.706 ( -0.652 0.816 1.494) 1.823 1.735 ( -1.038 -1.863 1.807) 2.795 1.910 ( 1.116 2.349 6.755) 7.238 1.947 ( 2.501 -0.950 3.803) 4.649 1.950 ( 1.155 1.713 -6.435) 6.759 1.978 ( 0.773 -0.803 -2.735) 2.953 2.059 ( 6.306 1.513 -0.669) 6.519 2.095 ( 5.691 -2.114 1.344) 6.217 2.175 ( -2.011 1.602 -1.418) 2.936 2.204 ( -1.076 -1.389 -2.536) 3.086 2.317 ( -1.190 0.943 -0.709) 1.675 2.326 ( -0.882 0.194 -0.815) 1.217 2.360 ( -2.831 0.400 1.130) 3.074 2.373 ( -3.247 -0.626 0.566) 3.354 2.565 ( 1.897 0.416 -0.662) 2.052 2.592 ( 3.025 -2.455 -1.390) 4.136 2.612 ( -3.029 1.769 0.550) 3.551 2.659 ( -4.144 -2.779 0.053) 4.990 2.818 ( 1.035 1.157 1.816) 2.389 2.839 ( -0.209 -0.732 0.961) 1.226 2.895 ( -3.036 0.570 -1.965) 3.661 2.896 ( -2.375 0.502 -2.536) 3.510 3.630 ( -1.210 3.622 4.836) 6.162 3.637 ( 0.507 4.040 -2.489) 4.772 3.684 ( -0.366 -1.311 6.256) 6.402 3.712 ( 0.453 -2.612 -4.442) 5.173 3.815 ( 1.254 0.259 1.527) 1.993 3.833 ( 0.689 -1.274 -1.510) 2.092 3.941 ( 0.373 0.730 0.907) 1.222 3.964 ( -0.524 -1.376 -3.071) 3.406 5.158 ( -0.107 0.427 1.213) 1.291 5.167 ( -0.299 -0.369 0.862) 0.984 5.182 ( -1.145 0.330 -1.215) 1.702 5.189 ( -1.332 -0.357 -1.285) 1.885 5.998 ( 0.536 1.184 0.833) 1.544 6.017 ( -0.984 0.007 0.456) 1.085 6.034 ( -0.047 -0.097 0.265) 0.286 6.050 ( -0.949 -0.992 -1.052) 1.730 6.448 ( -0.635 0.088 2.279) 2.368 6.454 ( -0.486 -0.439 0.335) 0.736 6.508 ( -0.857 0.254 -0.845) 1.230 6.512 ( -0.928 -0.158 -1.968) 2.181 6.781 ( 2.381 0.999 -0.232) 2.592 6.796 ( 1.156 -0.368 -0.253) 1.239 6.902 ( 1.019 1.131 0.549) 1.619 6.921 ( -0.522 -0.580 0.315) 0.841 7.341 ( 1.505 0.140 -1.361) 2.034 7.349 ( 0.789 -0.592 -1.220) 1.568 7.398 ( 0.027 0.288 1.459) 1.488 7.402 ( -0.646 -0.053 1.762) 1.877 7.705 ( 1.202 -0.345 -1.120) 1.679 7.706 ( 1.176 -0.368 -1.288) 1.782 7.836 ( -1.350 0.912 0.699) 1.773 7.841 ( -1.801 0.462 0.886) 2.059 =================== 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 3/15600 10.0 20.533 8.722 28.152 0.000 -2.543 0.000 3/15600 20.0 10.163 3.078 12.662 0.000 -0.823 0.000 3/15600 30.0 6.331 1.787 8.214 0.000 -0.470 0.000 3/15600 40.0 4.573 1.261 6.073 0.000 -0.324 0.000 3/15600 50.0 3.603 0.984 4.835 0.000 -0.245 0.000 3/15600 60.0 2.994 0.814 4.028 0.000 -0.197 0.000 3/15600 70.0 2.575 0.699 3.460 0.000 -0.165 0.000 3/15600 80.0 2.269 0.615 3.036 0.000 -0.142 0.000 3/15600 90.0 2.033 0.551 2.707 0.000 -0.125 0.000 3/15600 100.0 1.845 0.500 2.444 0.000 -0.111 0.000 3/15600 110.0 1.692 0.458 2.229 0.000 -0.100 0.000 3/15600 120.0 1.563 0.424 2.049 0.000 -0.092 0.000 3/15600 130.0 1.454 0.394 1.897 0.000 -0.084 0.000 3/15600 140.0 1.359 0.369 1.766 0.000 -0.078 0.000 3/15600 150.0 1.276 0.346 1.652 0.000 -0.073 0.000 3/15600 160.0 1.203 0.327 1.552 0.000 -0.068 0.000 3/15600 170.0 1.138 0.309 1.464 0.000 -0.064 0.000 3/15600 180.0 1.080 0.294 1.385 0.000 -0.060 0.000 3/15600 190.0 1.028 0.279 1.314 0.000 -0.057 0.000 3/15600 200.0 0.980 0.267 1.250 0.000 -0.054 0.000 3/15600 210.0 0.937 0.255 1.193 0.000 -0.052 0.000 3/15600 220.0 0.897 0.244 1.140 0.000 -0.049 0.000 3/15600 230.0 0.861 0.235 1.092 0.000 -0.047 0.000 3/15600 240.0 0.827 0.226 1.047 0.000 -0.045 0.000 3/15600 250.0 0.796 0.217 1.007 0.000 -0.043 0.000 3/15600 260.0 0.768 0.209 0.969 0.000 -0.042 0.000 3/15600 270.0 0.741 0.202 0.934 0.000 -0.040 0.000 3/15600 280.0 0.716 0.195 0.901 0.000 -0.039 0.000 3/15600 290.0 0.693 0.189 0.871 0.000 -0.037 0.000 3/15600 300.0 0.671 0.183 0.842 0.000 -0.036 0.000 3/15600 310.0 0.650 0.178 0.816 0.000 -0.035 0.000 3/15600 320.0 0.631 0.173 0.791 0.000 -0.034 0.000 3/15600 330.0 0.613 0.168 0.767 0.000 -0.033 0.000 3/15600 340.0 0.595 0.163 0.745 0.000 -0.032 0.000 3/15600 350.0 0.579 0.159 0.724 0.000 -0.031 0.000 3/15600 360.0 0.564 0.154 0.705 0.000 -0.030 0.000 3/15600 370.0 0.549 0.151 0.686 0.000 -0.029 0.000 3/15600 380.0 0.535 0.147 0.668 0.000 -0.028 0.000 3/15600 390.0 0.522 0.143 0.652 0.000 -0.028 0.000 3/15600 400.0 0.510 0.140 0.636 0.000 -0.027 0.000 3/15600 410.0 0.498 0.137 0.620 0.000 -0.026 0.000 3/15600 420.0 0.486 0.133 0.606 0.000 -0.026 0.000 3/15600 430.0 0.475 0.131 0.592 0.000 -0.025 0.000 3/15600 440.0 0.465 0.128 0.579 0.000 -0.025 0.000 3/15600 450.0 0.455 0.125 0.566 0.000 -0.024 0.000 3/15600 460.0 0.446 0.122 0.554 0.000 -0.024 0.000 3/15600 470.0 0.436 0.120 0.542 0.000 -0.023 0.000 3/15600 480.0 0.428 0.118 0.531 0.000 -0.023 0.000 3/15600 490.0 0.419 0.115 0.521 0.000 -0.022 0.000 3/15600 500.0 0.411 0.113 0.510 0.000 -0.022 0.000 3/15600 510.0 0.403 0.111 0.500 0.000 -0.021 0.000 3/15600 520.0 0.396 0.109 0.491 0.000 -0.021 0.000 3/15600 530.0 0.388 0.107 0.482 0.000 -0.020 0.000 3/15600 540.0 0.382 0.105 0.473 0.000 -0.020 0.000 3/15600 550.0 0.375 0.103 0.464 0.000 -0.020 0.000 3/15600 560.0 0.368 0.101 0.456 0.000 -0.019 0.000 3/15600 570.0 0.362 0.100 0.448 0.000 -0.019 0.000 3/15600 580.0 0.356 0.098 0.441 0.000 -0.019 0.000 3/15600 590.0 0.350 0.096 0.433 0.000 -0.018 0.000 3/15600 600.0 0.344 0.095 0.426 0.000 -0.018 0.000 3/15600 610.0 0.339 0.093 0.419 0.000 -0.018 0.000 3/15600 620.0 0.334 0.092 0.413 0.000 -0.017 0.000 3/15600 630.0 0.328 0.090 0.406 0.000 -0.017 0.000 3/15600 640.0 0.323 0.089 0.400 0.000 -0.017 0.000 3/15600 650.0 0.319 0.088 0.394 0.000 -0.017 0.000 3/15600 660.0 0.314 0.087 0.388 0.000 -0.016 0.000 3/15600 670.0 0.309 0.085 0.382 0.000 -0.016 0.000 3/15600 680.0 0.305 0.084 0.377 0.000 -0.016 0.000 3/15600 690.0 0.300 0.083 0.371 0.000 -0.016 0.000 3/15600 700.0 0.296 0.082 0.366 0.000 -0.015 0.000 3/15600 710.0 0.292 0.081 0.361 0.000 -0.015 0.000 3/15600 720.0 0.288 0.080 0.356 0.000 -0.015 0.000 3/15600 730.0 0.284 0.078 0.351 0.000 -0.015 0.000 3/15600 740.0 0.281 0.077 0.346 0.000 -0.015 0.000 3/15600 750.0 0.277 0.076 0.342 0.000 -0.014 0.000 3/15600 760.0 0.273 0.075 0.337 0.000 -0.014 0.000 3/15600 770.0 0.270 0.075 0.333 0.000 -0.014 0.000 3/15600 780.0 0.267 0.074 0.329 0.000 -0.014 0.000 3/15600 790.0 0.263 0.073 0.325 0.000 -0.014 0.000 3/15600 800.0 0.260 0.072 0.321 0.000 -0.014 0.000 3/15600 810.0 0.257 0.071 0.317 0.000 -0.013 0.000 3/15600 820.0 0.254 0.070 0.313 0.000 -0.013 0.000 3/15600 830.0 0.251 0.069 0.309 0.000 -0.013 0.000 3/15600 840.0 0.248 0.068 0.306 0.000 -0.013 0.000 3/15600 850.0 0.245 0.068 0.302 0.000 -0.013 0.000 3/15600 860.0 0.242 0.067 0.299 0.000 -0.013 0.000 3/15600 870.0 0.239 0.066 0.295 0.000 -0.012 0.000 3/15600 880.0 0.237 0.065 0.292 0.000 -0.012 0.000 3/15600 890.0 0.234 0.065 0.289 0.000 -0.012 0.000 3/15600 900.0 0.232 0.064 0.285 0.000 -0.012 0.000 3/15600 910.0 0.229 0.063 0.282 0.000 -0.012 0.000 3/15600 920.0 0.227 0.063 0.279 0.000 -0.012 0.000 3/15600 930.0 0.224 0.062 0.276 0.000 -0.012 0.000 3/15600 940.0 0.222 0.061 0.273 0.000 -0.012 0.000 3/15600 950.0 0.220 0.061 0.271 0.000 -0.011 0.000 3/15600 960.0 0.217 0.060 0.268 0.000 -0.011 0.000 3/15600 970.0 0.215 0.060 0.265 0.000 -0.011 0.000 3/15600 980.0 0.213 0.059 0.262 0.000 -0.011 0.000 3/15600 990.0 0.211 0.058 0.260 0.000 -0.011 0.000 3/15600 1000.0 0.209 0.058 0.257 0.000 -0.011 0.000 3/15600 Thermal conductivity related properties were written into "kappa-m1354.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:43:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|