----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:17:49]------------------------- 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: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.417725728081693 0.000000000000000 0.000000000000000 b 0.000000000000000 7.154380500000002 0.000000000000000 c -0.887962384856364 0.000000000000000 6.740467731522325 Atomic positions (fractional): *1 S 0.40944463753812 0.27579012070314 0.50017893413293 32.065 2 S 0.59055536246188 0.77579012070314 0.99982106586707 32.065 3 S 0.59055536246188 0.72420987929686 0.49982106586707 32.065 4 S 0.40944463753812 0.22420987929687 0.00017893413293 32.065 *5 S 0.09328617404953 0.88871339024878 0.27577371752013 32.065 6 S 0.09328617404953 0.61128660975122 0.77577371752013 32.065 7 S 0.90671382595047 0.11128660975122 0.72422628247987 32.065 8 S 0.90671382595047 0.38871339024878 0.22422628247987 32.065 *9 Cu 0.06953180113234 0.33575943725565 0.55061980618928 63.546 10 Cu 0.93046819886766 0.66424056274435 0.44938019381072 63.546 11 Cu 0.93046819886766 0.83575943725565 0.94938019381072 63.546 12 Cu 0.06953180113234 0.16424056274435 0.05061980618928 63.546 *13 Pr 0.68974693876596 0.05136526495824 0.30120758702181 140.908 14 Pr 0.31025306123404 0.55136526495824 0.19879241297819 140.908 15 Pr 0.31025306123404 0.94863473504176 0.69879241297819 140.908 16 Pr 0.68974693876596 0.44863473504176 0.80120758702181 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.417725728081693 0.000000000000000 0.000000000000000 b 0.000000000000000 7.154380500000002 0.000000000000000 c -0.887962384856364 0.000000000000000 6.740467731522325 Atomic positions (fractional): *1 S 0.40944463753812 0.27579012070314 0.50017893413293 32.065 > 1 2 S 0.59055536246188 0.77579012070314 0.99982106586707 32.065 > 2 3 S 0.59055536246188 0.72420987929686 0.49982106586707 32.065 > 3 4 S 0.40944463753812 0.22420987929687 0.00017893413293 32.065 > 4 *5 S 0.09328617404953 0.88871339024878 0.27577371752013 32.065 > 5 6 S 0.09328617404953 0.61128660975122 0.77577371752013 32.065 > 6 7 S 0.90671382595047 0.11128660975122 0.72422628247987 32.065 > 7 8 S 0.90671382595047 0.38871339024878 0.22422628247987 32.065 > 8 *9 Cu 0.06953180113234 0.33575943725565 0.55061980618928 63.546 > 9 10 Cu 0.93046819886766 0.66424056274435 0.44938019381072 63.546 > 10 11 Cu 0.93046819886766 0.83575943725565 0.94938019381072 63.546 > 11 12 Cu 0.06953180113234 0.16424056274435 0.05061980618928 63.546 > 12 *13 Pr 0.68974693876596 0.05136526495824 0.30120758702181 140.908 > 13 14 Pr 0.31025306123404 0.55136526495824 0.19879241297819 140.908 > 14 15 Pr 0.31025306123404 0.94863473504176 0.69879241297819 140.908 > 15 16 Pr 0.68974693876596 0.44863473504176 0.80120758702181 140.908 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.835451456163385 0.000000000000000 0.000000000000000 b 0.000000000000000 14.308761000000004 0.000000000000000 c -1.775924769712728 0.000000000000000 13.480935463044650 Atomic positions (fractional): *1 S 0.20472231876906 0.13789506035157 0.25008946706647 32.065 > 1 2 S 0.70472231876906 0.13789506035157 0.25008946706647 32.065 > 1 3 S 0.20472231876906 0.63789506035157 0.25008946706647 32.065 > 1 4 S 0.70472231876906 0.63789506035157 0.25008946706647 32.065 > 1 5 S 0.20472231876906 0.13789506035157 0.75008946706647 32.065 > 1 6 S 0.70472231876906 0.13789506035157 0.75008946706647 32.065 > 1 7 S 0.20472231876906 0.63789506035157 0.75008946706647 32.065 > 1 8 S 0.70472231876906 0.63789506035157 0.75008946706647 32.065 > 1 9 S 0.29527768123094 0.38789506035157 0.49991053293353 32.065 > 2 10 S 0.79527768123094 0.38789506035157 0.49991053293353 32.065 > 2 11 S 0.29527768123094 0.88789506035157 0.49991053293353 32.065 > 2 12 S 0.79527768123094 0.88789506035157 0.49991053293353 32.065 > 2 13 S 0.29527768123094 0.38789506035157 0.99991053293353 32.065 > 2 14 S 0.79527768123094 0.38789506035157 0.99991053293353 32.065 > 2 15 S 0.29527768123094 0.88789506035157 0.99991053293353 32.065 > 2 16 S 0.79527768123094 0.88789506035157 0.99991053293353 32.065 > 2 17 S 0.29527768123094 0.36210493964843 0.24991053293353 32.065 > 3 18 S 0.79527768123094 0.36210493964843 0.24991053293353 32.065 > 3 19 S 0.29527768123094 0.86210493964843 0.24991053293353 32.065 > 3 20 S 0.79527768123094 0.86210493964843 0.24991053293353 32.065 > 3 21 S 0.29527768123094 0.36210493964843 0.74991053293353 32.065 > 3 22 S 0.79527768123094 0.36210493964843 0.74991053293353 32.065 > 3 23 S 0.29527768123094 0.86210493964843 0.74991053293353 32.065 > 3 24 S 0.79527768123094 0.86210493964843 0.74991053293353 32.065 > 3 25 S 0.20472231876906 0.11210493964843 0.00008946706646 32.065 > 4 26 S 0.70472231876906 0.11210493964843 0.00008946706646 32.065 > 4 27 S 0.20472231876906 0.61210493964843 0.00008946706646 32.065 > 4 28 S 0.70472231876906 0.61210493964843 0.00008946706646 32.065 > 4 29 S 0.20472231876906 0.11210493964843 0.50008946706646 32.065 > 4 30 S 0.70472231876906 0.11210493964843 0.50008946706646 32.065 > 4 31 S 0.20472231876906 0.61210493964843 0.50008946706646 32.065 > 4 32 S 0.70472231876906 0.61210493964843 0.50008946706646 32.065 > 4 *33 S 0.04664308702477 0.44435669512439 0.13788685876007 32.065 > 5 34 S 0.54664308702477 0.44435669512439 0.13788685876007 32.065 > 5 35 S 0.04664308702477 0.94435669512439 0.13788685876007 32.065 > 5 36 S 0.54664308702477 0.94435669512439 0.13788685876007 32.065 > 5 37 S 0.04664308702477 0.44435669512439 0.63788685876007 32.065 > 5 38 S 0.54664308702477 0.44435669512439 0.63788685876007 32.065 > 5 39 S 0.04664308702477 0.94435669512439 0.63788685876007 32.065 > 5 40 S 0.54664308702477 0.94435669512439 0.63788685876007 32.065 > 5 41 S 0.04664308702477 0.30564330487561 0.38788685876007 32.065 > 6 42 S 0.54664308702477 0.30564330487561 0.38788685876007 32.065 > 6 43 S 0.04664308702477 0.80564330487561 0.38788685876007 32.065 > 6 44 S 0.54664308702477 0.80564330487561 0.38788685876007 32.065 > 6 45 S 0.04664308702477 0.30564330487561 0.88788685876007 32.065 > 6 46 S 0.54664308702477 0.30564330487561 0.88788685876007 32.065 > 6 47 S 0.04664308702477 0.80564330487561 0.88788685876007 32.065 > 6 48 S 0.54664308702477 0.80564330487561 0.88788685876007 32.065 > 6 49 S 0.45335691297523 0.05564330487561 0.36211314123993 32.065 > 7 50 S 0.95335691297523 0.05564330487561 0.36211314123993 32.065 > 7 51 S 0.45335691297523 0.55564330487561 0.36211314123993 32.065 > 7 52 S 0.95335691297523 0.55564330487561 0.36211314123993 32.065 > 7 53 S 0.45335691297523 0.05564330487561 0.86211314123993 32.065 > 7 54 S 0.95335691297523 0.05564330487561 0.86211314123993 32.065 > 7 55 S 0.45335691297523 0.55564330487561 0.86211314123993 32.065 > 7 56 S 0.95335691297523 0.55564330487561 0.86211314123993 32.065 > 7 57 S 0.45335691297523 0.19435669512439 0.11211314123993 32.065 > 8 58 S 0.95335691297523 0.19435669512439 0.11211314123993 32.065 > 8 59 S 0.45335691297523 0.69435669512439 0.11211314123993 32.065 > 8 60 S 0.95335691297523 0.69435669512439 0.11211314123993 32.065 > 8 61 S 0.45335691297523 0.19435669512439 0.61211314123993 32.065 > 8 62 S 0.95335691297523 0.19435669512439 0.61211314123993 32.065 > 8 63 S 0.45335691297523 0.69435669512439 0.61211314123993 32.065 > 8 64 S 0.95335691297523 0.69435669512439 0.61211314123993 32.065 > 8 *65 Cu 0.03476590056617 0.16787971862782 0.27530990309464 63.546 > 9 66 Cu 0.53476590056617 0.16787971862782 0.27530990309464 63.546 > 9 67 Cu 0.03476590056617 0.66787971862783 0.27530990309464 63.546 > 9 68 Cu 0.53476590056617 0.66787971862783 0.27530990309464 63.546 > 9 69 Cu 0.03476590056617 0.16787971862782 0.77530990309464 63.546 > 9 70 Cu 0.53476590056617 0.16787971862782 0.77530990309464 63.546 > 9 71 Cu 0.03476590056617 0.66787971862783 0.77530990309464 63.546 > 9 72 Cu 0.53476590056617 0.66787971862783 0.77530990309464 63.546 > 9 73 Cu 0.46523409943383 0.33212028137217 0.22469009690536 63.546 > 10 74 Cu 0.96523409943383 0.33212028137217 0.22469009690536 63.546 > 10 75 Cu 0.46523409943383 0.83212028137217 0.22469009690536 63.546 > 10 76 Cu 0.96523409943383 0.83212028137217 0.22469009690536 63.546 > 10 77 Cu 0.46523409943383 0.33212028137217 0.72469009690536 63.546 > 10 78 Cu 0.96523409943383 0.33212028137217 0.72469009690536 63.546 > 10 79 Cu 0.46523409943383 0.83212028137217 0.72469009690536 63.546 > 10 80 Cu 0.96523409943383 0.83212028137217 0.72469009690536 63.546 > 10 81 Cu 0.46523409943383 0.41787971862783 0.47469009690536 63.546 > 11 82 Cu 0.96523409943383 0.41787971862783 0.47469009690536 63.546 > 11 83 Cu 0.46523409943383 0.91787971862783 0.47469009690536 63.546 > 11 84 Cu 0.96523409943383 0.91787971862783 0.47469009690536 63.546 > 11 85 Cu 0.46523409943383 0.41787971862783 0.97469009690536 63.546 > 11 86 Cu 0.96523409943383 0.41787971862783 0.97469009690536 63.546 > 11 87 Cu 0.46523409943383 0.91787971862783 0.97469009690536 63.546 > 11 88 Cu 0.96523409943383 0.91787971862783 0.97469009690536 63.546 > 11 89 Cu 0.03476590056617 0.08212028137217 0.02530990309464 63.546 > 12 90 Cu 0.53476590056617 0.08212028137217 0.02530990309464 63.546 > 12 91 Cu 0.03476590056617 0.58212028137217 0.02530990309464 63.546 > 12 92 Cu 0.53476590056617 0.58212028137217 0.02530990309464 63.546 > 12 93 Cu 0.03476590056617 0.08212028137217 0.52530990309464 63.546 > 12 94 Cu 0.53476590056617 0.08212028137217 0.52530990309464 63.546 > 12 95 Cu 0.03476590056617 0.58212028137217 0.52530990309464 63.546 > 12 96 Cu 0.53476590056617 0.58212028137217 0.52530990309464 63.546 > 12 *97 Pr 0.34487346938298 0.02568263247912 0.15060379351090 140.908 > 13 98 Pr 0.84487346938298 0.02568263247912 0.15060379351090 140.908 > 13 99 Pr 0.34487346938298 0.52568263247912 0.15060379351090 140.908 > 13 100 Pr 0.84487346938298 0.52568263247912 0.15060379351090 140.908 > 13 101 Pr 0.34487346938298 0.02568263247912 0.65060379351090 140.908 > 13 102 Pr 0.84487346938298 0.02568263247912 0.65060379351090 140.908 > 13 103 Pr 0.34487346938298 0.52568263247912 0.65060379351090 140.908 > 13 104 Pr 0.84487346938298 0.52568263247912 0.65060379351090 140.908 > 13 105 Pr 0.15512653061702 0.27568263247912 0.09939620648910 140.908 > 14 106 Pr 0.65512653061702 0.27568263247912 0.09939620648910 140.908 > 14 107 Pr 0.15512653061702 0.77568263247912 0.09939620648910 140.908 > 14 108 Pr 0.65512653061702 0.77568263247912 0.09939620648910 140.908 > 14 109 Pr 0.15512653061702 0.27568263247912 0.59939620648910 140.908 > 14 110 Pr 0.65512653061702 0.27568263247912 0.59939620648910 140.908 > 14 111 Pr 0.15512653061702 0.77568263247912 0.59939620648910 140.908 > 14 112 Pr 0.65512653061702 0.77568263247912 0.59939620648910 140.908 > 14 113 Pr 0.15512653061702 0.47431736752088 0.34939620648910 140.908 > 15 114 Pr 0.65512653061702 0.47431736752088 0.34939620648910 140.908 > 15 115 Pr 0.15512653061702 0.97431736752088 0.34939620648910 140.908 > 15 116 Pr 0.65512653061702 0.97431736752088 0.34939620648910 140.908 > 15 117 Pr 0.15512653061702 0.47431736752088 0.84939620648910 140.908 > 15 118 Pr 0.65512653061702 0.47431736752088 0.84939620648910 140.908 > 15 119 Pr 0.15512653061702 0.97431736752088 0.84939620648910 140.908 > 15 120 Pr 0.65512653061702 0.97431736752088 0.84939620648910 140.908 > 15 121 Pr 0.34487346938298 0.22431736752088 0.40060379351090 140.908 > 16 122 Pr 0.84487346938298 0.22431736752088 0.40060379351090 140.908 > 16 123 Pr 0.34487346938298 0.72431736752088 0.40060379351090 140.908 > 16 124 Pr 0.84487346938298 0.72431736752088 0.40060379351090 140.908 > 16 125 Pr 0.34487346938298 0.22431736752088 0.90060379351090 140.908 > 16 126 Pr 0.84487346938298 0.22431736752088 0.90060379351090 140.908 > 16 127 Pr 0.34487346938298 0.72431736752088 0.90060379351090 140.908 > 16 128 Pr 0.84487346938298 0.72431736752088 0.90060379351090 140.908 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.6553484 0.0000000 0.1055377 0.0000000 10.9843246 0.0000000 0.1055284 0.0000000 11.0455896 -------------------------- Born effective charges -------------------------- 1 S -2.3783329 0.0513473 0.1510123 0.0380248 -2.9217209 0.2087372 -0.0082698 0.3201635 -2.3603119 2 S -2.3783329 -0.0513473 0.1510123 -0.0380248 -2.9217209 -0.2087372 -0.0082698 -0.3201635 -2.3603119 3 S -2.3783329 0.0513473 0.1510123 0.0380248 -2.9217209 0.2087372 -0.0082698 0.3201635 -2.3603119 4 S -2.3783329 -0.0513473 0.1510123 -0.0380248 -2.9217209 -0.2087372 -0.0082698 -0.3201635 -2.3603119 5 S -2.2337427 0.4504111 -0.2456890 0.6215482 -2.5875859 -0.0672669 -0.0978774 -0.1499503 -2.6344308 6 S -2.2337427 -0.4504111 -0.2456890 -0.6215482 -2.5875859 0.0672669 -0.0978774 0.1499503 -2.6344308 7 S -2.2337427 0.4504111 -0.2456890 0.6215482 -2.5875859 -0.0672669 -0.0978774 -0.1499503 -2.6344308 8 S -2.2337427 -0.4504111 -0.2456890 -0.6215482 -2.5875859 0.0672669 -0.0978774 0.1499503 -2.6344308 9 Cu 0.3768408 0.0341141 0.0761168 0.0521988 0.7013368 0.2449795 0.0008113 0.1886775 0.9941421 10 Cu 0.3768408 0.0341141 0.0761168 0.0521988 0.7013368 0.2449795 0.0008113 0.1886775 0.9941421 11 Cu 0.3768408 -0.0341141 0.0761168 -0.0521988 0.7013368 -0.2449795 0.0008113 -0.1886775 0.9941421 12 Cu 0.3768408 -0.0341141 0.0761168 -0.0521988 0.7013368 -0.2449795 0.0008113 -0.1886775 0.9941421 13 Pr 4.2352348 -0.1577719 0.0185600 -0.2035335 4.8079700 0.0195614 0.1053359 0.3032255 4.0006006 14 Pr 4.2352348 0.1577719 0.0185600 0.2035335 4.8079700 -0.0195614 0.1053359 -0.3032255 4.0006006 15 Pr 4.2352348 -0.1577719 0.0185600 -0.2035335 4.8079700 0.0195614 0.1053359 0.3032255 4.0006006 16 Pr 4.2352348 0.1577719 0.0185600 0.2035335 4.8079700 -0.0195614 0.1053359 -0.3032255 4.0006006 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 480 - Time: 1.106 Solver_block: 200 / 480 - Time: 1.033 Solver_block: 300 / 480 - Time: 1.097 Solver_block: 400 / 480 - Time: 1.264 Solver_block: 480 / 480 - Time: 1.332 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.045 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yx) -0.00000000 (yx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:18:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:18:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.417725728081693 0.000000000000000 0.000000000000000 b 0.000000000000000 7.154380500000002 0.000000000000000 c -0.887962384856364 0.000000000000000 6.740467731522325 Atomic positions (fractional): 1 S 0.40944463753812 0.27579012070314 0.50017893413293 32.065 2 S 0.59055536246188 0.77579012070314 0.99982106586707 32.065 3 S 0.59055536246188 0.72420987929686 0.49982106586707 32.065 4 S 0.40944463753812 0.22420987929687 0.00017893413293 32.065 5 S 0.09328617404953 0.88871339024878 0.27577371752013 32.065 6 S 0.09328617404953 0.61128660975122 0.77577371752013 32.065 7 S 0.90671382595047 0.11128660975122 0.72422628247987 32.065 8 S 0.90671382595047 0.38871339024878 0.22422628247987 32.065 9 Cu 0.06953180113234 0.33575943725565 0.55061980618928 63.546 10 Cu 0.93046819886766 0.66424056274435 0.44938019381072 63.546 11 Cu 0.93046819886766 0.83575943725565 0.94938019381072 63.546 12 Cu 0.06953180113234 0.16424056274435 0.05061980618928 63.546 13 Pr 0.68974693876596 0.05136526495824 0.30120758702181 140.908 14 Pr 0.31025306123404 0.55136526495824 0.19879241297819 140.908 15 Pr 0.31025306123404 0.94863473504176 0.69879241297819 140.908 16 Pr 0.68974693876596 0.44863473504176 0.80120758702181 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.835451456163385 0.000000000000000 0.000000000000000 b 0.000000000000000 14.308761000000004 0.000000000000000 c -1.775924769712728 0.000000000000000 13.480935463044650 Atomic positions (fractional): 1 S 0.20472231876906 0.13789506035157 0.25008946706647 32.065 > 1 2 S 0.70472231876906 0.13789506035157 0.25008946706647 32.065 > 1 3 S 0.20472231876906 0.63789506035157 0.25008946706647 32.065 > 1 4 S 0.70472231876906 0.63789506035157 0.25008946706647 32.065 > 1 5 S 0.20472231876906 0.13789506035157 0.75008946706647 32.065 > 1 6 S 0.70472231876906 0.13789506035157 0.75008946706647 32.065 > 1 7 S 0.20472231876906 0.63789506035157 0.75008946706647 32.065 > 1 8 S 0.70472231876906 0.63789506035157 0.75008946706647 32.065 > 1 9 S 0.29527768123094 0.38789506035157 0.49991053293353 32.065 > 9 10 S 0.79527768123094 0.38789506035157 0.49991053293353 32.065 > 9 11 S 0.29527768123094 0.88789506035157 0.49991053293353 32.065 > 9 12 S 0.79527768123094 0.88789506035157 0.49991053293353 32.065 > 9 13 S 0.29527768123094 0.38789506035157 0.99991053293353 32.065 > 9 14 S 0.79527768123094 0.38789506035157 0.99991053293353 32.065 > 9 15 S 0.29527768123094 0.88789506035157 0.99991053293353 32.065 > 9 16 S 0.79527768123094 0.88789506035157 0.99991053293353 32.065 > 9 17 S 0.29527768123094 0.36210493964843 0.24991053293353 32.065 > 17 18 S 0.79527768123094 0.36210493964843 0.24991053293353 32.065 > 17 19 S 0.29527768123094 0.86210493964843 0.24991053293353 32.065 > 17 20 S 0.79527768123094 0.86210493964843 0.24991053293353 32.065 > 17 21 S 0.29527768123094 0.36210493964843 0.74991053293353 32.065 > 17 22 S 0.79527768123094 0.36210493964843 0.74991053293353 32.065 > 17 23 S 0.29527768123094 0.86210493964843 0.74991053293353 32.065 > 17 24 S 0.79527768123094 0.86210493964843 0.74991053293353 32.065 > 17 25 S 0.20472231876906 0.11210493964843 0.00008946706646 32.065 > 25 26 S 0.70472231876906 0.11210493964843 0.00008946706646 32.065 > 25 27 S 0.20472231876906 0.61210493964843 0.00008946706646 32.065 > 25 28 S 0.70472231876906 0.61210493964843 0.00008946706646 32.065 > 25 29 S 0.20472231876906 0.11210493964843 0.50008946706646 32.065 > 25 30 S 0.70472231876906 0.11210493964843 0.50008946706646 32.065 > 25 31 S 0.20472231876906 0.61210493964843 0.50008946706646 32.065 > 25 32 S 0.70472231876906 0.61210493964843 0.50008946706646 32.065 > 25 33 S 0.04664308702477 0.44435669512439 0.13788685876007 32.065 > 33 34 S 0.54664308702477 0.44435669512439 0.13788685876007 32.065 > 33 35 S 0.04664308702477 0.94435669512439 0.13788685876007 32.065 > 33 36 S 0.54664308702477 0.94435669512439 0.13788685876007 32.065 > 33 37 S 0.04664308702477 0.44435669512439 0.63788685876007 32.065 > 33 38 S 0.54664308702477 0.44435669512439 0.63788685876007 32.065 > 33 39 S 0.04664308702477 0.94435669512439 0.63788685876007 32.065 > 33 40 S 0.54664308702477 0.94435669512439 0.63788685876007 32.065 > 33 41 S 0.04664308702477 0.30564330487561 0.38788685876007 32.065 > 41 42 S 0.54664308702477 0.30564330487561 0.38788685876007 32.065 > 41 43 S 0.04664308702477 0.80564330487561 0.38788685876007 32.065 > 41 44 S 0.54664308702477 0.80564330487561 0.38788685876007 32.065 > 41 45 S 0.04664308702477 0.30564330487561 0.88788685876007 32.065 > 41 46 S 0.54664308702477 0.30564330487561 0.88788685876007 32.065 > 41 47 S 0.04664308702477 0.80564330487561 0.88788685876007 32.065 > 41 48 S 0.54664308702477 0.80564330487561 0.88788685876007 32.065 > 41 49 S 0.45335691297523 0.05564330487561 0.36211314123993 32.065 > 49 50 S 0.95335691297523 0.05564330487561 0.36211314123993 32.065 > 49 51 S 0.45335691297523 0.55564330487561 0.36211314123993 32.065 > 49 52 S 0.95335691297523 0.55564330487561 0.36211314123993 32.065 > 49 53 S 0.45335691297523 0.05564330487561 0.86211314123993 32.065 > 49 54 S 0.95335691297523 0.05564330487561 0.86211314123993 32.065 > 49 55 S 0.45335691297523 0.55564330487561 0.86211314123993 32.065 > 49 56 S 0.95335691297523 0.55564330487561 0.86211314123993 32.065 > 49 57 S 0.45335691297523 0.19435669512439 0.11211314123993 32.065 > 57 58 S 0.95335691297523 0.19435669512439 0.11211314123993 32.065 > 57 59 S 0.45335691297523 0.69435669512439 0.11211314123993 32.065 > 57 60 S 0.95335691297523 0.69435669512439 0.11211314123993 32.065 > 57 61 S 0.45335691297523 0.19435669512439 0.61211314123993 32.065 > 57 62 S 0.95335691297523 0.19435669512439 0.61211314123993 32.065 > 57 63 S 0.45335691297523 0.69435669512439 0.61211314123993 32.065 > 57 64 S 0.95335691297523 0.69435669512439 0.61211314123993 32.065 > 57 65 Cu 0.03476590056617 0.16787971862782 0.27530990309464 63.546 > 65 66 Cu 0.53476590056617 0.16787971862782 0.27530990309464 63.546 > 65 67 Cu 0.03476590056617 0.66787971862783 0.27530990309464 63.546 > 65 68 Cu 0.53476590056617 0.66787971862783 0.27530990309464 63.546 > 65 69 Cu 0.03476590056617 0.16787971862782 0.77530990309464 63.546 > 65 70 Cu 0.53476590056617 0.16787971862782 0.77530990309464 63.546 > 65 71 Cu 0.03476590056617 0.66787971862783 0.77530990309464 63.546 > 65 72 Cu 0.53476590056617 0.66787971862783 0.77530990309464 63.546 > 65 73 Cu 0.46523409943383 0.33212028137217 0.22469009690536 63.546 > 73 74 Cu 0.96523409943383 0.33212028137217 0.22469009690536 63.546 > 73 75 Cu 0.46523409943383 0.83212028137217 0.22469009690536 63.546 > 73 76 Cu 0.96523409943383 0.83212028137217 0.22469009690536 63.546 > 73 77 Cu 0.46523409943383 0.33212028137217 0.72469009690536 63.546 > 73 78 Cu 0.96523409943383 0.33212028137217 0.72469009690536 63.546 > 73 79 Cu 0.46523409943383 0.83212028137217 0.72469009690536 63.546 > 73 80 Cu 0.96523409943383 0.83212028137217 0.72469009690536 63.546 > 73 81 Cu 0.46523409943383 0.41787971862783 0.47469009690536 63.546 > 81 82 Cu 0.96523409943383 0.41787971862783 0.47469009690536 63.546 > 81 83 Cu 0.46523409943383 0.91787971862783 0.47469009690536 63.546 > 81 84 Cu 0.96523409943383 0.91787971862783 0.47469009690536 63.546 > 81 85 Cu 0.46523409943383 0.41787971862783 0.97469009690536 63.546 > 81 86 Cu 0.96523409943383 0.41787971862783 0.97469009690536 63.546 > 81 87 Cu 0.46523409943383 0.91787971862783 0.97469009690536 63.546 > 81 88 Cu 0.96523409943383 0.91787971862783 0.97469009690536 63.546 > 81 89 Cu 0.03476590056617 0.08212028137217 0.02530990309464 63.546 > 89 90 Cu 0.53476590056617 0.08212028137217 0.02530990309464 63.546 > 89 91 Cu 0.03476590056617 0.58212028137217 0.02530990309464 63.546 > 89 92 Cu 0.53476590056617 0.58212028137217 0.02530990309464 63.546 > 89 93 Cu 0.03476590056617 0.08212028137217 0.52530990309464 63.546 > 89 94 Cu 0.53476590056617 0.08212028137217 0.52530990309464 63.546 > 89 95 Cu 0.03476590056617 0.58212028137217 0.52530990309464 63.546 > 89 96 Cu 0.53476590056617 0.58212028137217 0.52530990309464 63.546 > 89 97 Pr 0.34487346938298 0.02568263247912 0.15060379351090 140.908 > 97 98 Pr 0.84487346938298 0.02568263247912 0.15060379351090 140.908 > 97 99 Pr 0.34487346938298 0.52568263247912 0.15060379351090 140.908 > 97 100 Pr 0.84487346938298 0.52568263247912 0.15060379351090 140.908 > 97 101 Pr 0.34487346938298 0.02568263247912 0.65060379351090 140.908 > 97 102 Pr 0.84487346938298 0.02568263247912 0.65060379351090 140.908 > 97 103 Pr 0.34487346938298 0.52568263247912 0.65060379351090 140.908 > 97 104 Pr 0.84487346938298 0.52568263247912 0.65060379351090 140.908 > 97 105 Pr 0.15512653061702 0.27568263247912 0.09939620648910 140.908 > 105 106 Pr 0.65512653061702 0.27568263247912 0.09939620648910 140.908 > 105 107 Pr 0.15512653061702 0.77568263247912 0.09939620648910 140.908 > 105 108 Pr 0.65512653061702 0.77568263247912 0.09939620648910 140.908 > 105 109 Pr 0.15512653061702 0.27568263247912 0.59939620648910 140.908 > 105 110 Pr 0.65512653061702 0.27568263247912 0.59939620648910 140.908 > 105 111 Pr 0.15512653061702 0.77568263247912 0.59939620648910 140.908 > 105 112 Pr 0.65512653061702 0.77568263247912 0.59939620648910 140.908 > 105 113 Pr 0.15512653061702 0.47431736752088 0.34939620648910 140.908 > 113 114 Pr 0.65512653061702 0.47431736752088 0.34939620648910 140.908 > 113 115 Pr 0.15512653061702 0.97431736752088 0.34939620648910 140.908 > 113 116 Pr 0.65512653061702 0.97431736752088 0.34939620648910 140.908 > 113 117 Pr 0.15512653061702 0.47431736752088 0.84939620648910 140.908 > 113 118 Pr 0.65512653061702 0.47431736752088 0.84939620648910 140.908 > 113 119 Pr 0.15512653061702 0.97431736752088 0.84939620648910 140.908 > 113 120 Pr 0.65512653061702 0.97431736752088 0.84939620648910 140.908 > 113 121 Pr 0.34487346938298 0.22431736752088 0.40060379351090 140.908 > 121 122 Pr 0.84487346938298 0.22431736752088 0.40060379351090 140.908 > 121 123 Pr 0.34487346938298 0.72431736752088 0.40060379351090 140.908 > 121 124 Pr 0.84487346938298 0.72431736752088 0.40060379351090 140.908 > 121 125 Pr 0.34487346938298 0.22431736752088 0.90060379351090 140.908 > 121 126 Pr 0.84487346938298 0.22431736752088 0.90060379351090 140.908 > 121 127 Pr 0.34487346938298 0.72431736752088 0.90060379351090 140.908 > 121 128 Pr 0.84487346938298 0.72431736752088 0.90060379351090 140.908 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.6553484 0.0000000 0.1055377 0.0000000 10.9843246 0.0000000 0.1055284 0.0000000 11.0455896 -------------------------- Born effective charges -------------------------- 1 S -2.3783329 0.0513473 0.1510123 0.0380248 -2.9217209 0.2087372 -0.0082698 0.3201635 -2.3603119 2 S -2.3783329 -0.0513473 0.1510123 -0.0380248 -2.9217209 -0.2087372 -0.0082698 -0.3201635 -2.3603119 3 S -2.3783329 0.0513473 0.1510123 0.0380248 -2.9217209 0.2087372 -0.0082698 0.3201635 -2.3603119 4 S -2.3783329 -0.0513473 0.1510123 -0.0380248 -2.9217209 -0.2087372 -0.0082698 -0.3201635 -2.3603119 5 S -2.2337427 0.4504111 -0.2456890 0.6215482 -2.5875859 -0.0672669 -0.0978774 -0.1499503 -2.6344308 6 S -2.2337427 -0.4504111 -0.2456890 -0.6215482 -2.5875859 0.0672669 -0.0978774 0.1499503 -2.6344308 7 S -2.2337427 0.4504111 -0.2456890 0.6215482 -2.5875859 -0.0672669 -0.0978774 -0.1499503 -2.6344308 8 S -2.2337427 -0.4504111 -0.2456890 -0.6215482 -2.5875859 0.0672669 -0.0978774 0.1499503 -2.6344308 9 Cu 0.3768408 0.0341141 0.0761168 0.0521988 0.7013368 0.2449795 0.0008113 0.1886775 0.9941421 10 Cu 0.3768408 0.0341141 0.0761168 0.0521988 0.7013368 0.2449795 0.0008113 0.1886775 0.9941421 11 Cu 0.3768408 -0.0341141 0.0761168 -0.0521988 0.7013368 -0.2449795 0.0008113 -0.1886775 0.9941421 12 Cu 0.3768408 -0.0341141 0.0761168 -0.0521988 0.7013368 -0.2449795 0.0008113 -0.1886775 0.9941421 13 Pr 4.2352348 -0.1577719 0.0185600 -0.2035335 4.8079700 0.0195614 0.1053359 0.3032255 4.0006006 14 Pr 4.2352348 0.1577719 0.0185600 0.2035335 4.8079700 -0.0195614 0.1053359 -0.3032255 4.0006006 15 Pr 4.2352348 -0.1577719 0.0185600 -0.2035335 4.8079700 0.0195614 0.1053359 0.3032255 4.0006006 16 Pr 4.2352348 0.1577719 0.0185600 0.2035335 4.8079700 -0.0195614 0.1053359 -0.3032255 4.0006006 ---------------------------------------------------------------------------- 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xy) 0.00000002 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:19:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:19:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.417725728081693 0.000000000000000 0.000000000000000 b 0.000000000000000 7.154380500000002 0.000000000000000 c -0.887962384856364 0.000000000000000 6.740467731522325 Atomic positions (fractional): 1 S 0.40944463753812 0.27579012070314 0.50017893413293 32.065 2 S 0.59055536246188 0.77579012070314 0.99982106586707 32.065 3 S 0.59055536246188 0.72420987929686 0.49982106586707 32.065 4 S 0.40944463753812 0.22420987929687 0.00017893413293 32.065 5 S 0.09328617404953 0.88871339024878 0.27577371752013 32.065 6 S 0.09328617404953 0.61128660975122 0.77577371752013 32.065 7 S 0.90671382595047 0.11128660975122 0.72422628247987 32.065 8 S 0.90671382595047 0.38871339024878 0.22422628247987 32.065 9 Cu 0.06953180113234 0.33575943725565 0.55061980618928 63.546 10 Cu 0.93046819886766 0.66424056274435 0.44938019381072 63.546 11 Cu 0.93046819886766 0.83575943725565 0.94938019381072 63.546 12 Cu 0.06953180113234 0.16424056274435 0.05061980618928 63.546 13 Pr 0.68974693876596 0.05136526495824 0.30120758702181 140.908 14 Pr 0.31025306123404 0.55136526495824 0.19879241297819 140.908 15 Pr 0.31025306123404 0.94863473504176 0.69879241297819 140.908 16 Pr 0.68974693876596 0.44863473504176 0.80120758702181 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.835451456163385 0.000000000000000 0.000000000000000 b 0.000000000000000 14.308761000000004 0.000000000000000 c -1.775924769712728 0.000000000000000 13.480935463044650 Atomic positions (fractional): 1 S 0.20472231876906 0.13789506035157 0.25008946706647 32.065 > 1 2 S 0.70472231876906 0.13789506035157 0.25008946706647 32.065 > 1 3 S 0.20472231876906 0.63789506035157 0.25008946706647 32.065 > 1 4 S 0.70472231876906 0.63789506035157 0.25008946706647 32.065 > 1 5 S 0.20472231876906 0.13789506035157 0.75008946706647 32.065 > 1 6 S 0.70472231876906 0.13789506035157 0.75008946706647 32.065 > 1 7 S 0.20472231876906 0.63789506035157 0.75008946706647 32.065 > 1 8 S 0.70472231876906 0.63789506035157 0.75008946706647 32.065 > 1 9 S 0.29527768123094 0.38789506035157 0.49991053293353 32.065 > 9 10 S 0.79527768123094 0.38789506035157 0.49991053293353 32.065 > 9 11 S 0.29527768123094 0.88789506035157 0.49991053293353 32.065 > 9 12 S 0.79527768123094 0.88789506035157 0.49991053293353 32.065 > 9 13 S 0.29527768123094 0.38789506035157 0.99991053293353 32.065 > 9 14 S 0.79527768123094 0.38789506035157 0.99991053293353 32.065 > 9 15 S 0.29527768123094 0.88789506035157 0.99991053293353 32.065 > 9 16 S 0.79527768123094 0.88789506035157 0.99991053293353 32.065 > 9 17 S 0.29527768123094 0.36210493964843 0.24991053293353 32.065 > 17 18 S 0.79527768123094 0.36210493964843 0.24991053293353 32.065 > 17 19 S 0.29527768123094 0.86210493964843 0.24991053293353 32.065 > 17 20 S 0.79527768123094 0.86210493964843 0.24991053293353 32.065 > 17 21 S 0.29527768123094 0.36210493964843 0.74991053293353 32.065 > 17 22 S 0.79527768123094 0.36210493964843 0.74991053293353 32.065 > 17 23 S 0.29527768123094 0.86210493964843 0.74991053293353 32.065 > 17 24 S 0.79527768123094 0.86210493964843 0.74991053293353 32.065 > 17 25 S 0.20472231876906 0.11210493964843 0.00008946706646 32.065 > 25 26 S 0.70472231876906 0.11210493964843 0.00008946706646 32.065 > 25 27 S 0.20472231876906 0.61210493964843 0.00008946706646 32.065 > 25 28 S 0.70472231876906 0.61210493964843 0.00008946706646 32.065 > 25 29 S 0.20472231876906 0.11210493964843 0.50008946706646 32.065 > 25 30 S 0.70472231876906 0.11210493964843 0.50008946706646 32.065 > 25 31 S 0.20472231876906 0.61210493964843 0.50008946706646 32.065 > 25 32 S 0.70472231876906 0.61210493964843 0.50008946706646 32.065 > 25 33 S 0.04664308702477 0.44435669512439 0.13788685876007 32.065 > 33 34 S 0.54664308702477 0.44435669512439 0.13788685876007 32.065 > 33 35 S 0.04664308702477 0.94435669512439 0.13788685876007 32.065 > 33 36 S 0.54664308702477 0.94435669512439 0.13788685876007 32.065 > 33 37 S 0.04664308702477 0.44435669512439 0.63788685876007 32.065 > 33 38 S 0.54664308702477 0.44435669512439 0.63788685876007 32.065 > 33 39 S 0.04664308702477 0.94435669512439 0.63788685876007 32.065 > 33 40 S 0.54664308702477 0.94435669512439 0.63788685876007 32.065 > 33 41 S 0.04664308702477 0.30564330487561 0.38788685876007 32.065 > 41 42 S 0.54664308702477 0.30564330487561 0.38788685876007 32.065 > 41 43 S 0.04664308702477 0.80564330487561 0.38788685876007 32.065 > 41 44 S 0.54664308702477 0.80564330487561 0.38788685876007 32.065 > 41 45 S 0.04664308702477 0.30564330487561 0.88788685876007 32.065 > 41 46 S 0.54664308702477 0.30564330487561 0.88788685876007 32.065 > 41 47 S 0.04664308702477 0.80564330487561 0.88788685876007 32.065 > 41 48 S 0.54664308702477 0.80564330487561 0.88788685876007 32.065 > 41 49 S 0.45335691297523 0.05564330487561 0.36211314123993 32.065 > 49 50 S 0.95335691297523 0.05564330487561 0.36211314123993 32.065 > 49 51 S 0.45335691297523 0.55564330487561 0.36211314123993 32.065 > 49 52 S 0.95335691297523 0.55564330487561 0.36211314123993 32.065 > 49 53 S 0.45335691297523 0.05564330487561 0.86211314123993 32.065 > 49 54 S 0.95335691297523 0.05564330487561 0.86211314123993 32.065 > 49 55 S 0.45335691297523 0.55564330487561 0.86211314123993 32.065 > 49 56 S 0.95335691297523 0.55564330487561 0.86211314123993 32.065 > 49 57 S 0.45335691297523 0.19435669512439 0.11211314123993 32.065 > 57 58 S 0.95335691297523 0.19435669512439 0.11211314123993 32.065 > 57 59 S 0.45335691297523 0.69435669512439 0.11211314123993 32.065 > 57 60 S 0.95335691297523 0.69435669512439 0.11211314123993 32.065 > 57 61 S 0.45335691297523 0.19435669512439 0.61211314123993 32.065 > 57 62 S 0.95335691297523 0.19435669512439 0.61211314123993 32.065 > 57 63 S 0.45335691297523 0.69435669512439 0.61211314123993 32.065 > 57 64 S 0.95335691297523 0.69435669512439 0.61211314123993 32.065 > 57 65 Cu 0.03476590056617 0.16787971862782 0.27530990309464 63.546 > 65 66 Cu 0.53476590056617 0.16787971862782 0.27530990309464 63.546 > 65 67 Cu 0.03476590056617 0.66787971862783 0.27530990309464 63.546 > 65 68 Cu 0.53476590056617 0.66787971862783 0.27530990309464 63.546 > 65 69 Cu 0.03476590056617 0.16787971862782 0.77530990309464 63.546 > 65 70 Cu 0.53476590056617 0.16787971862782 0.77530990309464 63.546 > 65 71 Cu 0.03476590056617 0.66787971862783 0.77530990309464 63.546 > 65 72 Cu 0.53476590056617 0.66787971862783 0.77530990309464 63.546 > 65 73 Cu 0.46523409943383 0.33212028137217 0.22469009690536 63.546 > 73 74 Cu 0.96523409943383 0.33212028137217 0.22469009690536 63.546 > 73 75 Cu 0.46523409943383 0.83212028137217 0.22469009690536 63.546 > 73 76 Cu 0.96523409943383 0.83212028137217 0.22469009690536 63.546 > 73 77 Cu 0.46523409943383 0.33212028137217 0.72469009690536 63.546 > 73 78 Cu 0.96523409943383 0.33212028137217 0.72469009690536 63.546 > 73 79 Cu 0.46523409943383 0.83212028137217 0.72469009690536 63.546 > 73 80 Cu 0.96523409943383 0.83212028137217 0.72469009690536 63.546 > 73 81 Cu 0.46523409943383 0.41787971862783 0.47469009690536 63.546 > 81 82 Cu 0.96523409943383 0.41787971862783 0.47469009690536 63.546 > 81 83 Cu 0.46523409943383 0.91787971862783 0.47469009690536 63.546 > 81 84 Cu 0.96523409943383 0.91787971862783 0.47469009690536 63.546 > 81 85 Cu 0.46523409943383 0.41787971862783 0.97469009690536 63.546 > 81 86 Cu 0.96523409943383 0.41787971862783 0.97469009690536 63.546 > 81 87 Cu 0.46523409943383 0.91787971862783 0.97469009690536 63.546 > 81 88 Cu 0.96523409943383 0.91787971862783 0.97469009690536 63.546 > 81 89 Cu 0.03476590056617 0.08212028137217 0.02530990309464 63.546 > 89 90 Cu 0.53476590056617 0.08212028137217 0.02530990309464 63.546 > 89 91 Cu 0.03476590056617 0.58212028137217 0.02530990309464 63.546 > 89 92 Cu 0.53476590056617 0.58212028137217 0.02530990309464 63.546 > 89 93 Cu 0.03476590056617 0.08212028137217 0.52530990309464 63.546 > 89 94 Cu 0.53476590056617 0.08212028137217 0.52530990309464 63.546 > 89 95 Cu 0.03476590056617 0.58212028137217 0.52530990309464 63.546 > 89 96 Cu 0.53476590056617 0.58212028137217 0.52530990309464 63.546 > 89 97 Pr 0.34487346938298 0.02568263247912 0.15060379351090 140.908 > 97 98 Pr 0.84487346938298 0.02568263247912 0.15060379351090 140.908 > 97 99 Pr 0.34487346938298 0.52568263247912 0.15060379351090 140.908 > 97 100 Pr 0.84487346938298 0.52568263247912 0.15060379351090 140.908 > 97 101 Pr 0.34487346938298 0.02568263247912 0.65060379351090 140.908 > 97 102 Pr 0.84487346938298 0.02568263247912 0.65060379351090 140.908 > 97 103 Pr 0.34487346938298 0.52568263247912 0.65060379351090 140.908 > 97 104 Pr 0.84487346938298 0.52568263247912 0.65060379351090 140.908 > 97 105 Pr 0.15512653061702 0.27568263247912 0.09939620648910 140.908 > 105 106 Pr 0.65512653061702 0.27568263247912 0.09939620648910 140.908 > 105 107 Pr 0.15512653061702 0.77568263247912 0.09939620648910 140.908 > 105 108 Pr 0.65512653061702 0.77568263247912 0.09939620648910 140.908 > 105 109 Pr 0.15512653061702 0.27568263247912 0.59939620648910 140.908 > 105 110 Pr 0.65512653061702 0.27568263247912 0.59939620648910 140.908 > 105 111 Pr 0.15512653061702 0.77568263247912 0.59939620648910 140.908 > 105 112 Pr 0.65512653061702 0.77568263247912 0.59939620648910 140.908 > 105 113 Pr 0.15512653061702 0.47431736752088 0.34939620648910 140.908 > 113 114 Pr 0.65512653061702 0.47431736752088 0.34939620648910 140.908 > 113 115 Pr 0.15512653061702 0.97431736752088 0.34939620648910 140.908 > 113 116 Pr 0.65512653061702 0.97431736752088 0.34939620648910 140.908 > 113 117 Pr 0.15512653061702 0.47431736752088 0.84939620648910 140.908 > 113 118 Pr 0.65512653061702 0.47431736752088 0.84939620648910 140.908 > 113 119 Pr 0.15512653061702 0.97431736752088 0.84939620648910 140.908 > 113 120 Pr 0.65512653061702 0.97431736752088 0.84939620648910 140.908 > 113 121 Pr 0.34487346938298 0.22431736752088 0.40060379351090 140.908 > 121 122 Pr 0.84487346938298 0.22431736752088 0.40060379351090 140.908 > 121 123 Pr 0.34487346938298 0.72431736752088 0.40060379351090 140.908 > 121 124 Pr 0.84487346938298 0.72431736752088 0.40060379351090 140.908 > 121 125 Pr 0.34487346938298 0.22431736752088 0.90060379351090 140.908 > 121 126 Pr 0.84487346938298 0.22431736752088 0.90060379351090 140.908 > 121 127 Pr 0.34487346938298 0.72431736752088 0.90060379351090 140.908 > 121 128 Pr 0.84487346938298 0.72431736752088 0.90060379351090 140.908 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.6553484 0.0000000 0.1055377 0.0000000 10.9843246 0.0000000 0.1055284 0.0000000 11.0455896 -------------------------- Born effective charges -------------------------- 1 S -2.3783329 0.0513473 0.1510123 0.0380248 -2.9217209 0.2087372 -0.0082698 0.3201635 -2.3603119 2 S -2.3783329 -0.0513473 0.1510123 -0.0380248 -2.9217209 -0.2087372 -0.0082698 -0.3201635 -2.3603119 3 S -2.3783329 0.0513473 0.1510123 0.0380248 -2.9217209 0.2087372 -0.0082698 0.3201635 -2.3603119 4 S -2.3783329 -0.0513473 0.1510123 -0.0380248 -2.9217209 -0.2087372 -0.0082698 -0.3201635 -2.3603119 5 S -2.2337427 0.4504111 -0.2456890 0.6215482 -2.5875859 -0.0672669 -0.0978774 -0.1499503 -2.6344308 6 S -2.2337427 -0.4504111 -0.2456890 -0.6215482 -2.5875859 0.0672669 -0.0978774 0.1499503 -2.6344308 7 S -2.2337427 0.4504111 -0.2456890 0.6215482 -2.5875859 -0.0672669 -0.0978774 -0.1499503 -2.6344308 8 S -2.2337427 -0.4504111 -0.2456890 -0.6215482 -2.5875859 0.0672669 -0.0978774 0.1499503 -2.6344308 9 Cu 0.3768408 0.0341141 0.0761168 0.0521988 0.7013368 0.2449795 0.0008113 0.1886775 0.9941421 10 Cu 0.3768408 0.0341141 0.0761168 0.0521988 0.7013368 0.2449795 0.0008113 0.1886775 0.9941421 11 Cu 0.3768408 -0.0341141 0.0761168 -0.0521988 0.7013368 -0.2449795 0.0008113 -0.1886775 0.9941421 12 Cu 0.3768408 -0.0341141 0.0761168 -0.0521988 0.7013368 -0.2449795 0.0008113 -0.1886775 0.9941421 13 Pr 4.2352348 -0.1577719 0.0185600 -0.2035335 4.8079700 0.0195614 0.1053359 0.3032255 4.0006006 14 Pr 4.2352348 0.1577719 0.0185600 0.2035335 4.8079700 -0.0195614 0.1053359 -0.3032255 4.0006006 15 Pr 4.2352348 -0.1577719 0.0185600 -0.2035335 4.8079700 0.0195614 0.1053359 0.3032255 4.0006006 16 Pr 4.2352348 0.1577719 0.0185600 0.2035335 4.8079700 -0.0195614 0.1053359 -0.3032255 4.0006006 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 7 ] 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: 0.61, Number of G-points: 299, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.897 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.709 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 2.932 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.147 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 5.018 ( 0.000 0.000 0.000) 0.000 5.810 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 6.511 ( 0.000 0.000 0.000) 0.000 6.555 ( 0.000 0.000 0.000) 0.000 6.902 ( 0.000 0.000 0.000) 0.000 6.945 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.160 ( 0.000 0.000 0.000) 0.000 7.248 ( 0.000 0.000 0.000) 0.000 7.357 ( 0.000 0.000 0.000) 0.000 7.414 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 0.000 0.000) 0.000 7.663 ( 0.000 0.000 0.000) 0.000 8.263 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.307 ( 0.000 0.000 0.000) 0.000 8.405 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 8.710 ( 0.000 0.000 0.000) 0.000 8.959 ( 0.000 0.000 0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.183 ( 0.000 0.000 0.000) 0.000 9.316 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 23.988 0.000 0.125) 23.988 0.580 ( 28.393 0.000 2.252) 28.483 0.826 ( 40.198 0.000 10.472) 41.539 1.911 ( 1.369 0.000 0.162) 1.379 2.186 ( -4.668 0.000 -2.725) 5.405 2.287 ( 0.784 0.000 2.124) 2.264 2.431 ( -0.161 0.000 -2.091) 2.097 2.505 ( -1.982 0.000 -0.414) 2.025 2.619 ( -6.061 0.000 -1.848) 6.336 2.702 ( -0.880 0.000 1.959) 2.147 2.835 ( 0.576 0.000 3.755) 3.799 2.979 ( 4.496 0.000 2.481) 5.135 3.098 ( -3.710 0.000 2.127) 4.276 3.145 ( -2.335 0.000 0.610) 2.413 3.316 ( -4.034 0.000 -0.230) 4.040 3.321 ( 3.893 0.000 0.807) 3.976 3.387 ( -5.011 0.000 -1.569) 5.251 3.665 ( 1.531 0.000 -1.274) 1.992 3.688 ( -2.639 0.000 -1.024) 2.831 3.974 ( 0.729 0.000 -9.010) 9.039 4.223 ( 2.865 0.000 1.583) 3.273 4.415 ( -7.150 0.000 0.989) 7.218 4.526 ( 1.865 0.000 -3.016) 3.546 4.979 ( -4.093 0.000 -1.789) 4.467 5.962 ( -4.126 0.000 27.877) 28.181 6.065 ( 1.668 0.000 -1.259) 2.090 6.464 ( -1.331 0.000 -1.519) 2.020 6.548 ( 3.279 0.000 1.050) 3.443 6.571 ( 0.908 0.000 2.669) 2.819 6.942 ( 0.151 0.000 -1.472) 1.480 7.143 ( 0.232 0.000 3.111) 3.120 7.183 ( 2.097 0.000 -1.233) 2.433 7.262 ( 2.037 0.000 -2.391) 3.141 7.372 ( 0.824 0.000 0.607) 1.023 7.430 ( 4.670 0.000 -7.851) 9.135 7.542 ( -9.515 0.000 -6.522) 11.536 7.622 ( -1.828 0.000 0.826) 2.006 7.649 ( 0.047 0.000 -0.988) 0.989 8.195 ( -7.456 0.000 -1.752) 7.659 8.258 ( -0.879 0.000 2.243) 2.410 8.499 ( 6.548 0.000 0.506) 6.567 8.528 ( -1.036 0.000 -1.573) 1.884 8.737 ( 2.292 0.000 3.425) 4.121 8.832 ( -2.565 0.000 5.820) 6.360 8.941 ( -1.252 0.000 -3.513) 3.730 9.107 ( 1.037 0.000 1.113) 1.521 9.207 ( 2.125 0.000 0.742) 2.251 9.507 ( -0.107 0.000 -4.422) 4.424 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 22.225 0.000 1.429) 22.271 1.096 ( 23.457 0.000 2.210) 23.561 1.596 ( 34.989 0.000 9.914) 36.366 1.947 ( 2.653 0.000 -0.615) 2.723 2.053 ( -8.057 0.000 -2.627) 8.475 2.305 ( 0.660 0.000 1.711) 1.834 2.399 ( -3.916 0.000 -5.824) 7.018 2.469 ( -1.083 0.000 -0.793) 1.343 2.495 ( -3.694 0.000 -2.444) 4.429 2.693 ( -0.666 0.000 4.258) 4.309 2.842 ( -0.442 0.000 2.105) 2.150 2.967 ( -10.625 0.000 6.116) 12.260 3.053 ( -5.018 0.000 -6.202) 7.978 3.104 ( 6.678 0.000 4.259) 7.921 3.223 ( -6.287 0.000 0.733) 6.330 3.346 ( 1.650 0.000 -1.648) 2.332 3.414 ( 4.410 0.000 0.441) 4.432 3.624 ( -2.963 0.000 -0.821) 3.075 3.683 ( 0.654 0.000 -1.407) 1.551 3.952 ( -1.191 0.000 -6.123) 6.237 4.222 ( -12.439 0.000 1.114) 12.489 4.277 ( 1.931 0.000 1.802) 2.641 4.562 ( 2.436 0.000 -3.609) 4.354 4.867 ( -6.606 0.000 -0.727) 6.646 5.951 ( -2.251 0.000 12.099) 12.307 6.102 ( 2.369 0.000 -1.737) 2.938 6.435 ( -1.289 0.000 0.016) 1.289 6.594 ( 0.884 0.000 1.913) 2.108 6.626 ( 3.810 0.000 1.303) 4.027 6.954 ( 1.465 0.000 -1.299) 1.958 7.146 ( -0.751 0.000 2.723) 2.825 7.215 ( 1.103 0.000 0.405) 1.175 7.299 ( -9.153 0.000 -4.999) 10.429 7.321 ( 4.612 0.000 -4.486) 6.434 7.382 ( -3.372 0.000 -2.246) 4.052 7.530 ( 5.540 0.000 3.941) 6.798 7.614 ( 0.591 0.000 3.542) 3.591 7.653 ( 1.540 0.000 -3.749) 4.053 8.058 ( -5.005 0.000 -2.366) 5.536 8.237 ( -2.131 0.000 3.566) 4.154 8.461 ( -4.575 0.000 -2.836) 5.383 8.621 ( 5.052 0.000 0.252) 5.059 8.774 ( -4.441 0.000 2.730) 5.213 8.795 ( 2.228 0.000 2.846) 3.614 8.905 ( -1.096 0.000 -4.090) 4.234 9.141 ( 1.912 0.000 1.931) 2.717 9.257 ( 2.493 0.000 1.096) 2.723 9.490 ( -0.749 0.000 -2.079) 2.210 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 18.002 0.000 2.391) 18.160 1.483 ( 15.102 0.000 2.543) 15.314 1.881 ( -8.192 0.000 -2.468) 8.556 1.935 ( -0.515 0.000 3.477) 3.515 2.221 ( 17.261 0.000 1.627) 17.337 2.240 ( -7.718 0.000 -4.335) 8.852 2.323 ( 0.782 0.000 0.977) 1.251 2.471 ( 1.899 0.000 -1.762) 2.590 2.546 ( 12.310 0.000 -2.150) 12.496 2.701 ( -0.776 0.000 5.867) 5.918 2.778 ( -8.078 0.000 3.673) 8.874 2.838 ( 0.045 0.000 0.623) 0.625 2.928 ( -5.742 0.000 -5.693) 8.086 3.113 ( -4.421 0.000 -0.877) 4.507 3.205 ( -0.717 0.000 2.910) 2.997 3.384 ( 1.790 0.000 -0.046) 1.791 3.435 ( -1.106 0.000 -1.133) 1.583 3.630 ( 3.698 0.000 3.000) 4.762 3.686 ( 0.110 0.000 -0.993) 0.999 3.894 ( -3.237 0.000 -4.284) 5.370 3.971 ( -11.905 0.000 -0.642) 11.922 4.307 ( 0.890 0.000 0.891) 1.260 4.593 ( 1.338 0.000 -2.061) 2.458 4.743 ( -5.223 0.000 -0.126) 5.225 5.939 ( -1.197 0.000 5.130) 5.268 6.139 ( 1.627 0.000 -1.208) 2.026 6.416 ( -0.704 0.000 0.493) 0.859 6.612 ( 0.548 0.000 0.852) 1.013 6.690 ( 2.260 0.000 0.711) 2.369 6.984 ( 1.614 0.000 -0.780) 1.793 7.116 ( -3.576 0.000 -1.921) 4.059 7.154 ( -2.556 0.000 -0.418) 2.590 7.231 ( 0.460 0.000 0.687) 0.826 7.310 ( -3.287 0.000 -0.962) 3.425 7.393 ( 3.311 0.000 -3.217) 4.617 7.598 ( 0.060 0.000 4.310) 4.310 7.626 ( -0.886 0.000 3.104) 3.228 7.745 ( 8.229 0.000 -2.654) 8.647 8.022 ( 1.734 0.000 -0.645) 1.850 8.188 ( -3.804 0.000 3.088) 4.900 8.351 ( -5.503 0.000 -2.628) 6.098 8.688 ( -4.025 0.000 0.145) 4.027 8.692 ( 2.271 0.000 -0.069) 2.272 8.831 ( 0.979 0.000 1.126) 1.492 8.882 ( -0.494 0.000 -2.077) 2.135 9.181 ( 1.482 0.000 1.461) 2.080 9.301 ( 1.524 0.000 0.822) 1.732 9.471 ( -0.629 0.000 -0.983) 1.167 ======================= Grid point 4 (5/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 0.000 0.000 -0.000) 0.000 1.672 ( -0.000 0.000 -0.000) 0.000 1.757 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 -0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 -0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 -0.000) 0.000 2.762 ( 0.000 0.000 -0.000) 0.000 2.786 ( 0.000 0.000 -0.000) 0.000 2.842 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 -0.000) 0.000 3.025 ( -0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.699 ( 0.000 0.000 0.000) 0.000 3.828 ( -0.000 0.000 -0.000) 0.000 3.841 ( 0.000 0.000 -0.000) 0.000 4.317 ( 0.000 0.000 0.000) 0.000 4.603 ( 0.000 0.000 -0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 5.933 ( 0.000 0.000 -0.000) 0.000 6.154 ( 0.000 0.000 -0.000) 0.000 6.410 ( 0.000 0.000 -0.000) 0.000 6.619 ( 0.000 0.000 -0.000) 0.000 6.713 ( 0.000 0.000 -0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.067 ( 0.000 0.000 0.000) 0.000 7.142 ( 0.000 0.000 -0.000) 0.000 7.236 ( 0.000 0.000 -0.000) 0.000 7.272 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 -0.000) 0.000 7.614 ( 0.000 0.000 -0.000) 0.000 7.850 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 -0.000) 0.000 8.136 ( 0.000 0.000 0.000) 0.000 8.276 ( 0.000 0.000 -0.000) 0.000 8.645 ( 0.000 0.000 0.000) 0.000 8.713 ( 0.000 0.000 -0.000) 0.000 8.842 ( 0.000 0.000 -0.000) 0.000 8.874 ( 0.000 0.000 0.000) 0.000 9.198 ( 0.000 0.000 -0.000) 0.000 9.317 ( 0.000 0.000 -0.000) 0.000 9.464 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/116) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 0.000 26.805 0.000) 26.805 0.624 ( 0.000 30.623 0.000) 30.623 1.057 ( 0.000 51.032 0.000) 51.032 1.904 ( 0.000 0.599 0.000) 0.599 2.249 ( 0.000 -0.830 0.000) 0.830 2.253 ( 0.000 0.286 0.000) 0.286 2.404 ( 0.000 -2.851 0.000) 2.851 2.586 ( 0.000 5.848 0.000) 5.848 2.645 ( 0.000 -6.534 0.000) 6.534 2.747 ( 0.000 5.869 0.000) 5.869 2.842 ( 0.000 -1.022 0.000) 1.022 2.914 ( 0.000 0.280 0.000) 0.280 3.042 ( 0.000 -6.753 0.000) 6.753 3.096 ( 0.000 -3.343 0.000) 3.343 3.344 ( 0.000 1.706 0.000) 1.706 3.428 ( 0.000 1.729 0.000) 1.729 3.455 ( 0.000 0.332 0.000) 0.332 3.621 ( 0.000 -2.952 0.000) 2.952 3.687 ( 0.000 2.606 0.000) 2.606 3.799 ( 0.000 3.785 0.000) 3.785 4.142 ( 0.000 -4.230 0.000) 4.230 4.435 ( 0.000 -7.480 0.000) 7.480 4.455 ( 0.000 -2.779 0.000) 2.779 4.935 ( 0.000 -8.249 0.000) 8.249 5.850 ( 0.000 3.907 0.000) 3.907 6.494 ( 0.000 -2.950 0.000) 2.950 6.497 ( 0.000 1.710 0.000) 1.710 6.574 ( 0.000 2.672 0.000) 2.672 6.765 ( 0.000 -0.658 0.000) 0.658 6.913 ( 0.000 0.558 0.000) 0.558 6.965 ( 0.000 -1.302 0.000) 1.302 7.091 ( 0.000 -3.338 0.000) 3.338 7.200 ( 0.000 4.433 0.000) 4.433 7.266 ( 0.000 1.813 0.000) 1.813 7.414 ( 0.000 -0.224 0.000) 0.224 7.674 ( 0.000 6.619 0.000) 6.619 7.675 ( 0.000 2.743 0.000) 2.743 8.229 ( 0.000 -2.112 0.000) 2.112 8.249 ( 0.000 -4.522 0.000) 4.522 8.278 ( 0.000 1.449 0.000) 1.449 8.303 ( 0.000 -0.982 0.000) 0.982 8.517 ( 0.000 -1.073 0.000) 1.073 8.699 ( 0.000 -1.087 0.000) 1.087 8.699 ( 0.000 -0.613 0.000) 0.613 8.961 ( 0.000 0.234 0.000) 0.234 9.065 ( 0.000 -2.307 0.000) 2.307 9.356 ( 0.000 3.192 0.000) 3.192 9.485 ( 0.000 -0.093 0.000) 0.093 ======================= Grid point 10 (7/116) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 14.530 18.435 6.370) 24.322 0.742 ( 14.074 21.739 2.532) 26.021 1.360 ( 23.877 37.375 2.892) 44.445 1.919 ( 1.622 0.990 -0.077) 1.902 2.196 ( -3.393 1.108 -2.864) 4.577 2.282 ( 0.990 -0.269 1.983) 2.233 2.399 ( -0.497 -2.957 -1.187) 3.225 2.563 ( -2.870 5.061 1.106) 5.922 2.617 ( -2.276 -4.019 -1.396) 4.825 2.703 ( -3.554 3.753 -1.421) 5.361 2.839 ( -0.149 -1.615 0.763) 1.792 2.969 ( 3.923 -0.273 3.819) 5.482 3.040 ( -0.469 -6.052 0.336) 6.080 3.067 ( -3.518 -2.985 2.251) 5.134 3.318 ( -0.447 0.854 -0.669) 1.173 3.338 ( -6.796 -0.144 1.527) 6.967 3.451 ( -0.695 4.187 -2.228) 4.793 3.603 ( -0.713 -3.887 -1.681) 4.295 3.738 ( 0.812 2.800 -0.834) 3.032 3.870 ( 5.621 -2.843 -3.454) 7.184 4.186 ( 3.145 -3.768 1.521) 5.139 4.400 ( -5.630 -1.349 0.737) 5.836 4.460 ( 2.786 -6.636 -2.756) 7.707 4.899 ( -3.517 -7.528 -0.016) 8.309 5.876 ( 1.605 2.070 4.538) 5.240 6.472 ( -12.793 12.796 2.409) 18.254 6.485 ( -2.032 3.719 2.097) 4.728 6.530 ( 2.610 -2.015 2.073) 3.896 6.604 ( 1.191 4.078 2.360) 4.860 6.901 ( 0.537 -3.379 -0.081) 3.423 7.033 ( 0.101 -6.139 1.673) 6.364 7.186 ( 4.653 -4.361 -4.602) 7.864 7.243 ( 4.289 3.483 -0.052) 5.525 7.306 ( 3.323 1.512 0.911) 3.762 7.412 ( -0.170 -1.847 0.546) 1.934 7.594 ( -6.537 5.442 -4.826) 9.779 7.672 ( -0.071 4.790 0.470) 4.814 7.969 ( -12.174 11.695 -3.035) 17.152 8.196 ( -7.264 -0.613 -1.851) 7.521 8.245 ( -1.083 -1.010 0.179) 1.492 8.440 ( 6.606 -4.900 -0.711) 8.255 8.512 ( -0.275 -1.258 -0.967) 1.610 8.702 ( 2.270 -1.924 3.049) 4.260 8.782 ( 2.537 -3.522 3.544) 5.604 8.922 ( -3.186 -0.052 -0.663) 3.255 9.079 ( 1.121 -2.321 0.822) 2.706 9.304 ( -1.702 5.679 -0.130) 5.930 9.498 ( 0.377 -0.635 -2.822) 2.917 ======================= Grid point 11 (8/116) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 19.053 12.400 0.131) 22.733 1.108 ( 20.824 5.311 5.975) 22.305 1.808 ( 14.975 12.945 8.105) 21.390 1.979 ( 6.713 5.709 -1.793) 8.993 2.095 ( -5.982 3.535 -2.350) 7.335 2.316 ( 2.774 2.401 1.995) 4.176 2.369 ( -2.607 -2.554 -3.091) 4.783 2.507 ( -1.720 2.965 -0.828) 3.527 2.539 ( -4.624 2.894 -3.241) 6.345 2.657 ( -0.506 -2.746 2.916) 4.037 2.829 ( -1.687 -2.585 -1.420) 3.398 2.927 ( -7.377 -2.032 6.624) 10.121 3.017 ( -2.625 -2.709 -4.452) 5.835 3.102 ( 5.408 -0.290 3.802) 6.617 3.189 ( -6.550 -1.264 2.826) 7.245 3.341 ( 1.744 -0.719 -2.067) 2.798 3.456 ( 1.694 1.920 -2.674) 3.702 3.598 ( 0.987 -1.073 -0.634) 1.590 3.731 ( -0.966 4.021 -0.292) 4.146 3.916 ( 0.094 -3.019 -4.313) 5.265 4.233 ( -3.615 -1.475 1.986) 4.380 4.253 ( -4.601 0.118 -0.035) 4.602 4.517 ( 3.224 -4.741 -3.133) 6.534 4.809 ( -5.300 -5.383 0.119) 7.555 5.920 ( 1.433 1.091 4.672) 5.007 6.297 ( -5.440 12.079 1.430) 13.325 6.476 ( -0.218 3.995 0.721) 4.066 6.592 ( 2.584 -0.887 2.447) 3.668 6.648 ( 2.337 2.632 1.698) 3.908 6.921 ( 1.566 -3.103 -0.356) 3.494 7.034 ( -0.220 -5.944 1.659) 6.175 7.202 ( -1.423 -3.713 -3.136) 5.064 7.309 ( 0.463 3.523 0.898) 3.665 7.345 ( -1.001 0.961 -0.752) 1.578 7.434 ( 0.079 0.645 -2.364) 2.452 7.472 ( 2.004 2.112 -2.022) 3.545 7.683 ( -0.181 4.428 3.993) 5.965 7.814 ( -3.015 9.977 -2.756) 10.781 8.059 ( -4.979 -0.207 -2.588) 5.615 8.217 ( -2.407 -1.700 2.248) 3.706 8.417 ( -4.850 -3.870 -2.081) 6.544 8.599 ( 5.835 -2.171 -1.217) 6.344 8.754 ( 1.280 -1.271 2.457) 3.047 8.806 ( -0.817 -0.283 3.326) 3.436 8.855 ( -2.440 -3.145 -2.478) 4.689 9.110 ( 1.653 -2.811 1.580) 3.623 9.305 ( 1.213 3.840 0.501) 4.058 9.485 ( -0.817 -0.445 -2.055) 2.256 ======================= Grid point 12 (9/116) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 15.261 8.278 2.359) 17.522 1.505 ( 17.623 2.007 1.928) 17.841 1.865 ( -4.910 0.629 1.434) 5.154 2.004 ( -2.184 4.633 0.555) 5.152 2.131 ( 3.412 -5.612 0.981) 6.641 2.249 ( -7.675 0.496 -4.487) 8.904 2.396 ( 1.720 5.097 1.749) 5.657 2.470 ( -0.686 1.188 -2.336) 2.709 2.564 ( 6.887 -0.913 1.975) 7.222 2.703 ( 3.835 -2.587 2.273) 5.154 2.720 ( -6.946 -1.786 1.081) 7.253 2.866 ( -1.048 -0.165 0.785) 1.320 2.924 ( -4.207 1.365 -2.948) 5.315 3.081 ( -2.589 -2.074 0.204) 3.324 3.248 ( 5.774 4.689 2.064) 7.719 3.379 ( 2.769 -1.190 -1.769) 3.495 3.460 ( -1.243 1.483 -1.703) 2.578 3.656 ( 4.537 2.395 1.671) 5.395 3.709 ( -0.956 3.099 0.215) 3.250 3.864 ( -4.173 -3.359 -1.360) 5.527 4.024 ( -11.045 5.553 -2.176) 12.553 4.277 ( 1.270 -2.976 0.660) 3.302 4.551 ( 0.711 -4.447 -1.609) 4.782 4.718 ( -3.354 -2.238 0.054) 4.033 5.950 ( 0.627 1.963 2.889) 3.549 6.234 ( -1.705 7.472 -0.337) 7.671 6.477 ( 0.057 5.681 0.768) 5.733 6.635 ( 1.329 1.721 1.388) 2.580 6.693 ( 1.676 0.709 0.834) 2.002 6.955 ( 1.733 -3.055 -0.339) 3.529 7.033 ( -0.121 -5.664 1.017) 5.756 7.142 ( -2.842 0.223 -2.232) 3.620 7.239 ( -4.440 -2.751 -1.764) 5.513 7.326 ( -0.645 4.803 0.312) 4.856 7.446 ( 1.894 4.474 -1.603) 5.116 7.585 ( 3.665 -2.584 2.271) 5.026 7.673 ( 0.624 4.037 2.288) 4.682 7.805 ( 0.589 5.172 -1.350) 5.378 8.031 ( 3.066 -0.176 -0.632) 3.135 8.160 ( -3.671 -2.305 1.389) 4.551 8.301 ( -6.226 -3.614 -1.490) 7.351 8.683 ( 3.167 -0.809 -1.530) 3.609 8.720 ( -3.575 2.569 0.190) 4.407 8.806 ( 0.416 -2.994 -0.712) 3.106 8.834 ( -0.261 -3.532 1.477) 3.838 9.144 ( 1.231 -3.550 1.154) 3.930 9.336 ( 1.475 2.866 0.840) 3.331 9.461 ( -1.029 -0.807 -1.284) 1.833 ======================= Grid point 13 (10/116) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 0.000 4.925 0.000) 4.925 1.750 ( -0.000 6.536 -0.000) 6.536 1.765 ( 0.000 1.685 0.000) 1.685 1.961 ( 0.000 5.476 -0.000) 5.476 2.146 ( -0.000 0.365 0.000) 0.365 2.151 ( 0.000 -13.713 -0.000) 13.713 2.406 ( 0.000 3.317 -0.000) 3.317 2.471 ( 0.000 -1.618 -0.000) 1.618 2.625 ( -0.000 -1.927 0.000) 1.927 2.659 ( 0.000 -5.853 0.000) 5.853 2.736 ( 0.000 -1.893 -0.000) 1.893 2.878 ( 0.000 -4.788 0.000) 4.788 2.884 ( 0.000 3.990 -0.000) 3.990 3.065 ( 0.000 -0.795 -0.000) 0.795 3.325 ( 0.000 19.034 0.000) 19.034 3.419 ( -0.000 -3.276 0.000) 3.276 3.420 ( 0.000 1.627 -0.000) 1.627 3.701 ( 0.000 1.965 -0.000) 1.965 3.730 ( 0.000 0.327 -0.000) 0.327 3.806 ( 0.000 -0.934 0.000) 0.934 3.873 ( -0.000 4.751 -0.000) 4.751 4.292 ( 0.000 -2.437 0.000) 2.437 4.549 ( 0.000 -5.147 -0.000) 5.147 4.688 ( 0.000 -0.386 0.000) 0.386 5.960 ( 0.000 2.665 -0.000) 2.665 6.218 ( 0.000 5.587 0.000) 5.587 6.479 ( 0.000 6.330 -0.000) 6.330 6.650 ( 0.000 2.837 0.000) 2.837 6.711 ( 0.000 -0.030 0.000) 0.030 6.974 ( 0.000 -2.915 0.000) 2.915 7.035 ( 0.000 -5.584 0.000) 5.584 7.109 ( 0.000 3.053 -0.000) 3.053 7.188 ( 0.000 -5.175 -0.000) 5.175 7.318 ( 0.000 4.270 0.000) 4.270 7.466 ( 0.000 4.346 0.000) 4.346 7.597 ( 0.000 -0.445 -0.000) 0.445 7.714 ( -0.000 6.266 -0.000) 6.266 7.810 ( 0.000 -2.025 0.000) 2.025 8.109 ( 0.000 -4.158 0.000) 4.158 8.117 ( -0.000 4.201 -0.000) 4.201 8.198 ( 0.000 -5.077 -0.000) 5.077 8.679 ( 0.000 2.607 0.000) 2.607 8.714 ( 0.000 0.130 -0.000) 0.130 8.806 ( 0.000 -4.670 0.000) 4.670 8.836 ( 0.000 -2.081 -0.000) 2.081 9.158 ( 0.000 -3.898 0.000) 3.898 9.355 ( 0.000 2.992 0.000) 2.992 9.447 ( 0.000 -1.346 0.000) 1.346 ======================= Grid point 18 (11/116) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.000 24.082 0.000) 24.082 1.212 ( 0.000 28.058 0.000) 28.058 1.859 ( 0.000 5.861 0.000) 5.861 2.020 ( 0.000 29.341 0.000) 29.341 2.248 ( 0.000 0.905 0.000) 0.905 2.271 ( 0.000 3.207 0.000) 3.207 2.345 ( 0.000 -2.794 0.000) 2.794 2.478 ( 0.000 -9.582 0.000) 9.582 2.673 ( 0.000 -10.851 0.000) 10.851 2.733 ( 0.000 8.206 0.000) 8.206 2.866 ( 0.000 4.881 0.000) 4.881 2.968 ( 0.000 -1.302 0.000) 1.302 3.013 ( 0.000 7.098 0.000) 7.098 3.027 ( 0.000 -2.491 0.000) 2.491 3.316 ( 0.000 -4.654 0.000) 4.654 3.458 ( 0.000 2.605 0.000) 2.605 3.473 ( 0.000 1.600 0.000) 1.600 3.616 ( 0.000 1.547 0.000) 1.547 3.740 ( 0.000 2.187 0.000) 2.187 3.852 ( 0.000 1.456 0.000) 1.456 4.022 ( 0.000 -7.621 0.000) 7.621 4.217 ( 0.000 -14.438 0.000) 14.438 4.392 ( 0.000 -2.855 0.000) 2.855 4.709 ( 0.000 -13.242 0.000) 13.242 5.958 ( 0.000 6.571 0.000) 6.571 6.400 ( 0.000 -6.229 0.000) 6.229 6.547 ( 0.000 3.061 0.000) 3.061 6.631 ( 0.000 2.558 0.000) 2.558 6.721 ( 0.000 -2.803 0.000) 2.803 6.882 ( 0.000 -4.288 0.000) 4.288 6.994 ( 0.000 3.532 0.000) 3.532 7.058 ( 0.000 0.919 0.000) 0.919 7.298 ( 0.000 2.280 0.000) 2.280 7.357 ( 0.000 9.749 0.000) 9.749 7.397 ( 0.000 -1.453 0.000) 1.453 7.731 ( 0.000 2.237 0.000) 2.237 7.821 ( 0.000 7.474 0.000) 7.474 8.137 ( 0.000 -6.126 0.000) 6.126 8.173 ( 0.000 -3.274 0.000) 3.274 8.261 ( 0.000 -3.375 0.000) 3.375 8.320 ( 0.000 2.602 0.000) 2.602 8.486 ( 0.000 -2.005 0.000) 2.005 8.672 ( 0.000 -1.405 0.000) 1.405 8.682 ( 0.000 -1.062 0.000) 1.062 8.969 ( 0.000 0.551 0.000) 0.551 9.025 ( 0.000 -1.613 0.000) 1.613 9.417 ( 0.000 2.603 0.000) 2.603 9.481 ( 0.000 -0.238 0.000) 0.238 ======================= Grid point 19 (12/116) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 6.368 22.021 4.419) 23.345 1.228 ( 3.480 25.201 2.634) 25.576 1.882 ( 1.458 2.313 2.765) 3.889 2.095 ( 5.122 19.364 -1.450) 20.083 2.233 ( -1.626 2.207 -1.834) 3.298 2.297 ( 2.108 1.580 -0.324) 2.654 2.349 ( 1.327 1.405 1.389) 2.380 2.475 ( 0.213 -7.741 0.416) 7.755 2.630 ( -4.145 -2.612 3.327) 5.922 2.747 ( 0.240 1.673 -5.131) 5.402 2.833 ( -2.154 5.956 -1.567) 6.524 2.966 ( -1.112 -1.003 4.218) 4.476 2.997 ( -1.895 -0.652 0.336) 2.032 3.048 ( 2.859 4.590 0.147) 5.409 3.296 ( -0.823 -3.808 -1.341) 4.120 3.342 ( -8.418 1.100 2.186) 8.767 3.512 ( -4.066 0.627 -3.026) 5.107 3.554 ( 1.994 0.989 -1.316) 2.586 3.781 ( 2.696 0.421 -1.295) 3.021 3.864 ( 1.051 1.577 -0.023) 1.895 4.074 ( 3.030 -7.637 2.062) 8.471 4.272 ( 5.555 -11.747 -2.186) 13.177 4.374 ( -1.995 -0.888 -0.010) 2.184 4.696 ( -1.263 -11.832 0.378) 11.905 5.970 ( 0.989 6.474 1.497) 6.718 6.430 ( 2.366 -6.285 1.913) 6.982 6.544 ( -0.571 3.283 -1.553) 3.677 6.625 ( -1.017 3.395 0.365) 3.563 6.703 ( -1.005 2.285 2.549) 3.568 6.869 ( -1.541 0.544 2.927) 3.352 6.933 ( -1.429 -2.827 2.057) 3.777 7.130 ( 2.858 -1.576 -1.194) 3.475 7.326 ( 2.516 2.302 -0.914) 3.531 7.382 ( -0.601 -0.955 -1.262) 1.693 7.390 ( 2.548 8.439 -0.406) 8.824 7.701 ( -3.886 4.510 -2.350) 6.400 7.782 ( -1.845 6.050 1.286) 6.454 8.060 ( -6.556 -0.480 1.401) 6.721 8.151 ( -6.409 -3.504 -4.201) 8.426 8.198 ( 0.628 -4.084 -0.496) 4.162 8.385 ( 3.459 -0.131 -2.439) 4.234 8.478 ( -0.861 -2.016 -1.510) 2.662 8.678 ( 1.871 -0.887 2.560) 3.292 8.711 ( 1.113 -3.226 2.577) 4.277 8.935 ( -2.979 1.157 0.110) 3.198 9.035 ( 0.619 -1.970 0.735) 2.191 9.393 ( -1.530 3.310 -0.219) 3.653 9.485 ( 0.063 -0.695 -1.449) 1.609 ======================= Grid point 20 (13/116) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 10.453 14.664 4.217) 18.495 1.401 ( 11.671 17.592 2.892) 21.308 1.915 ( 0.737 1.649 4.106) 4.486 2.128 ( -2.141 2.031 0.123) 2.953 2.164 ( -3.885 3.534 -2.013) 5.625 2.307 ( -0.896 -3.359 -0.625) 3.532 2.401 ( 1.312 -3.637 3.891) 5.485 2.511 ( -0.363 -4.923 0.809) 5.002 2.574 ( 1.487 9.742 0.581) 9.872 2.673 ( -5.191 3.270 -7.307) 9.541 2.803 ( -1.685 3.524 1.158) 4.074 2.915 ( -4.533 0.125 2.870) 5.367 2.984 ( 0.446 -0.350 -2.485) 2.549 3.110 ( -1.848 2.098 2.802) 3.959 3.214 ( 1.406 4.535 3.091) 5.666 3.296 ( 1.020 -4.326 -3.042) 5.386 3.437 ( -0.884 -3.393 -3.837) 5.198 3.626 ( 4.494 3.538 -1.191) 5.842 3.803 ( -0.188 -0.114 -0.838) 0.866 3.874 ( -0.581 2.098 -0.007) 2.177 4.132 ( 2.749 -7.195 1.694) 7.886 4.304 ( -4.909 2.884 -1.578) 5.908 4.380 ( 4.449 -8.138 -1.125) 9.342 4.667 ( -1.502 -8.307 0.332) 8.448 5.999 ( 1.404 6.126 1.664) 6.502 6.435 ( -3.600 -1.222 -1.021) 3.936 6.538 ( 2.174 3.106 0.998) 3.920 6.631 ( 1.631 5.245 2.381) 5.986 6.715 ( 0.873 3.763 2.975) 4.876 6.863 ( 0.284 -1.077 1.766) 2.088 6.937 ( 0.477 -4.448 2.292) 5.027 7.143 ( -0.946 -2.933 -0.561) 3.133 7.339 ( -2.775 -0.395 -3.067) 4.155 7.393 ( 4.269 1.135 -0.342) 4.431 7.436 ( 0.383 5.874 -0.639) 5.921 7.618 ( -1.431 8.249 -2.917) 8.866 7.766 ( -1.408 4.044 3.443) 5.495 7.935 ( -5.163 2.001 0.456) 5.556 8.026 ( -4.931 -3.509 -3.422) 6.953 8.184 ( -1.910 -1.746 -0.328) 2.608 8.355 ( -4.551 -1.284 -1.854) 5.079 8.526 ( 5.490 -5.457 -3.859) 8.649 8.724 ( 0.871 -2.273 2.596) 3.559 8.743 ( 1.980 -2.685 3.528) 4.856 8.864 ( -4.109 2.280 -0.803) 4.767 9.048 ( 0.397 -3.205 1.162) 3.432 9.376 ( -0.093 2.924 0.165) 2.930 9.472 ( -0.882 -0.866 -1.589) 2.014 ======================= Grid point 21 (14/116) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 14.604 4.717 2.155) 15.497 1.635 ( 10.790 12.350 1.555) 16.473 1.915 ( -2.145 3.697 3.535) 5.546 2.027 ( -5.734 -3.217 2.167) 6.922 2.109 ( -2.923 3.663 -1.979) 5.087 2.242 ( -5.364 -1.209 -2.427) 6.011 2.445 ( 2.154 -8.142 5.959) 10.317 2.465 ( -2.044 -2.253 0.248) 3.053 2.554 ( -4.111 4.124 -5.529) 8.029 2.608 ( -0.438 1.342 -2.031) 2.473 2.774 ( -3.024 2.505 0.720) 3.992 2.826 ( -2.840 -0.632 3.531) 4.575 2.983 ( -0.129 2.966 -1.927) 3.539 3.042 ( -2.224 -1.369 2.453) 3.583 3.307 ( 1.106 -5.944 -3.970) 7.233 3.387 ( 9.665 7.842 -0.379) 12.452 3.454 ( 3.650 -3.004 -1.257) 4.892 3.698 ( 1.112 -0.292 -1.794) 2.131 3.803 ( 2.434 3.012 1.120) 4.032 3.837 ( -3.000 6.672 2.094) 7.609 4.167 ( -7.472 7.895 -1.656) 10.995 4.194 ( 2.240 -4.922 0.070) 5.408 4.421 ( 0.114 -7.995 -0.560) 8.016 4.651 ( -0.135 -4.781 -0.028) 4.783 6.028 ( 1.070 5.612 0.942) 5.790 6.356 ( -3.213 2.718 -1.064) 4.341 6.586 ( 1.726 3.550 0.883) 4.045 6.684 ( 2.692 3.636 1.802) 4.870 6.737 ( 0.444 4.429 2.071) 4.909 6.880 ( 0.992 -3.301 0.688) 3.515 6.948 ( -0.072 -3.004 1.633) 3.419 7.117 ( -0.848 -2.549 -0.254) 2.699 7.255 ( -4.260 2.431 -3.217) 5.865 7.403 ( -1.711 4.397 -0.163) 4.721 7.496 ( 5.134 -1.185 -0.376) 5.282 7.615 ( -0.799 5.748 0.953) 5.881 7.747 ( 0.315 4.387 -0.272) 4.406 7.877 ( -2.534 1.463 2.159) 3.636 7.956 ( -1.343 -6.794 -2.448) 7.345 8.146 ( -0.783 0.926 -0.617) 1.360 8.262 ( -4.256 0.001 -0.350) 4.271 8.617 ( 4.282 -7.684 -4.205) 9.750 8.729 ( -1.006 -1.918 3.218) 3.879 8.781 ( -2.110 2.776 0.665) 3.550 8.787 ( 0.057 -1.137 0.113) 1.144 9.054 ( 0.029 -5.035 0.619) 5.073 9.387 ( 0.928 1.880 0.759) 2.230 9.446 ( -1.292 -0.651 -1.340) 1.971 ======================= Grid point 22 (15/116) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 0.000 8.946 0.000) 8.946 1.827 ( 0.000 0.873 -0.000) 0.873 1.872 ( 0.000 4.312 -0.000) 4.312 1.913 ( -0.000 -3.492 -0.000) 3.492 2.066 ( 0.000 3.263 -0.000) 3.263 2.159 ( 0.000 1.070 0.000) 1.070 2.445 ( 0.000 -2.508 0.000) 2.508 2.495 ( -0.000 -10.001 -0.000) 10.001 2.497 ( 0.000 4.617 0.000) 4.617 2.593 ( 0.000 1.669 -0.000) 1.669 2.714 ( 0.000 -2.012 0.000) 2.012 2.825 ( 0.000 1.049 -0.000) 1.049 2.976 ( 0.000 4.932 -0.000) 4.932 3.028 ( 0.000 -2.665 -0.000) 2.665 3.314 ( 0.000 -6.855 -0.000) 6.855 3.448 ( 0.000 -0.490 0.000) 0.490 3.603 ( 0.000 6.108 -0.000) 6.108 3.626 ( -0.000 -6.559 0.000) 6.559 3.804 ( 0.000 9.507 -0.000) 9.507 3.889 ( 0.000 6.131 -0.000) 6.131 4.036 ( 0.000 11.599 0.000) 11.599 4.227 ( 0.000 -3.783 0.000) 3.783 4.413 ( 0.000 -8.092 -0.000) 8.092 4.652 ( 0.000 -3.654 0.000) 3.654 6.040 ( 0.000 5.355 -0.000) 5.355 6.321 ( 0.000 2.969 0.000) 2.969 6.604 ( 0.000 4.329 -0.000) 4.329 6.719 ( -0.000 0.882 0.000) 0.882 6.741 ( 0.000 7.342 0.000) 7.342 6.895 ( 0.000 -4.103 0.000) 4.103 6.945 ( 0.000 -2.768 0.000) 2.768 7.115 ( 0.000 -2.664 -0.000) 2.664 7.198 ( 0.000 4.340 -0.000) 4.340 7.384 ( 0.000 3.844 0.000) 3.844 7.564 ( 0.000 -3.586 -0.000) 3.586 7.588 ( 0.000 7.102 0.000) 7.102 7.775 ( -0.000 -0.823 0.000) 0.823 7.834 ( 0.000 5.249 -0.000) 5.249 7.940 ( 0.000 -10.102 -0.000) 10.102 8.164 ( -0.000 0.216 0.000) 0.216 8.200 ( 0.000 3.820 -0.000) 3.820 8.652 ( 0.000 -8.883 -0.000) 8.883 8.720 ( 0.000 0.521 0.000) 0.521 8.748 ( 0.000 2.801 0.000) 2.801 8.800 ( 0.000 -1.639 -0.000) 1.639 9.055 ( 0.000 -6.045 0.000) 6.045 9.406 ( 0.000 1.743 0.000) 1.743 9.423 ( -0.000 -0.831 -0.000) 0.831 ======================= Grid point 27 (16/116) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.000 18.727 0.000) 18.727 1.735 ( 0.000 24.022 0.000) 24.022 1.779 ( 0.000 -9.532 0.000) 9.532 2.145 ( 0.000 -14.632 0.000) 14.632 2.271 ( 0.000 -1.496 0.000) 1.496 2.280 ( 0.000 0.963 0.000) 0.963 2.303 ( 0.000 0.084 0.000) 0.084 2.384 ( 0.000 -6.018 0.000) 6.018 2.753 ( 0.000 12.576 0.000) 12.576 2.860 ( 0.000 0.420 0.000) 0.420 2.913 ( 0.000 3.431 0.000) 3.431 2.963 ( 0.000 -0.150 0.000) 0.150 3.054 ( 0.000 4.797 0.000) 4.797 3.179 ( 0.000 -5.895 0.000) 5.895 3.263 ( 0.000 19.454 0.000) 19.454 3.513 ( 0.000 1.411 0.000) 1.411 3.551 ( 0.000 4.898 0.000) 4.898 3.645 ( 0.000 2.455 0.000) 2.455 3.738 ( 0.000 -4.492 0.000) 4.492 3.795 ( 0.000 -19.350 0.000) 19.350 3.868 ( 0.000 0.621 0.000) 0.621 3.921 ( 0.000 -7.890 0.000) 7.890 4.371 ( 0.000 1.511 0.000) 1.511 4.473 ( 0.000 -8.902 0.000) 8.902 6.102 ( 0.000 7.633 0.000) 7.633 6.257 ( 0.000 -7.732 0.000) 7.732 6.611 ( 0.000 3.212 0.000) 3.212 6.668 ( 0.000 -2.047 0.000) 2.047 6.689 ( 0.000 2.937 0.000) 2.937 6.776 ( 0.000 -5.339 0.000) 5.339 7.067 ( 0.000 2.942 0.000) 2.942 7.088 ( 0.000 0.848 0.000) 0.848 7.330 ( 0.000 1.256 0.000) 1.256 7.361 ( 0.000 -1.936 0.000) 1.936 7.576 ( 0.000 10.596 0.000) 10.596 7.728 ( 0.000 -3.680 0.000) 3.680 7.958 ( 0.000 5.697 0.000) 5.697 8.034 ( 0.000 -3.492 0.000) 3.492 8.120 ( 0.000 -1.013 0.000) 1.013 8.171 ( 0.000 -5.063 0.000) 5.063 8.378 ( 0.000 3.102 0.000) 3.102 8.438 ( 0.000 -2.770 0.000) 2.770 8.654 ( 0.000 -0.265 0.000) 0.265 8.661 ( 0.000 -0.882 0.000) 0.882 8.983 ( 0.000 0.777 0.000) 0.777 9.000 ( 0.000 -0.970 0.000) 0.970 9.456 ( 0.000 1.328 0.000) 1.328 9.474 ( 0.000 -0.556 0.000) 0.556 ======================= Grid point 28 (17/116) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 4.525 17.816 3.102) 18.642 1.708 ( -2.120 21.399 3.039) 21.717 1.818 ( 3.278 -7.247 1.785) 8.152 2.102 ( -4.405 -14.669 1.251) 15.367 2.264 ( -0.342 -0.020 0.362) 0.499 2.275 ( -0.679 2.628 -0.717) 2.807 2.301 ( -0.499 -2.388 0.557) 2.502 2.380 ( -0.364 -6.785 -0.119) 6.796 2.765 ( 0.357 7.832 -0.655) 7.867 2.825 ( -3.523 0.941 -0.076) 3.647 2.914 ( 0.167 4.218 -0.388) 4.239 2.967 ( 0.173 -0.264 0.357) 0.477 3.041 ( -1.184 5.318 -2.689) 6.075 3.178 ( -0.149 -7.188 -1.863) 7.427 3.289 ( 3.284 20.222 1.753) 20.562 3.387 ( -9.379 3.354 0.740) 9.988 3.480 ( -9.119 -2.217 -2.191) 9.636 3.638 ( 2.501 4.553 0.000) 5.195 3.714 ( 0.488 -7.842 -2.594) 8.274 3.841 ( 4.144 -14.314 1.377) 14.965 3.930 ( 4.547 4.222 0.861) 6.264 4.051 ( 8.376 -8.396 0.370) 11.866 4.383 ( 0.933 2.312 -0.333) 2.516 4.484 ( 1.020 -8.152 -0.029) 8.216 6.117 ( 1.241 7.948 0.947) 8.099 6.280 ( 1.870 -8.201 1.261) 8.506 6.618 ( 0.677 3.851 -0.542) 3.947 6.684 ( 1.578 -1.683 1.412) 2.705 6.694 ( 0.544 2.957 0.336) 3.025 6.789 ( 1.168 -5.571 1.530) 5.894 7.009 ( -4.064 5.905 2.302) 7.528 7.097 ( -0.689 -2.588 0.968) 2.847 7.349 ( 1.492 0.481 -2.176) 2.682 7.360 ( 0.387 -0.853 -1.802) 2.030 7.595 ( 1.461 9.926 -0.144) 10.034 7.731 ( -0.287 -2.691 0.845) 2.835 7.916 ( -3.103 7.341 0.901) 8.021 8.023 ( -2.470 -2.007 -0.043) 3.183 8.080 ( -4.623 -2.869 -4.001) 6.754 8.096 ( -2.395 -5.554 -0.172) 6.051 8.403 ( 1.000 1.511 -2.897) 3.417 8.438 ( -1.030 -1.918 -2.209) 3.102 8.661 ( 1.178 -0.504 2.728) 3.014 8.667 ( 0.562 -1.107 1.895) 2.265 8.964 ( -1.748 1.681 0.307) 2.444 8.999 ( -0.401 -1.764 0.550) 1.891 9.442 ( -1.117 1.755 -0.268) 2.097 9.468 ( -0.570 -1.014 -0.652) 1.333 ======================= Grid point 29 (18/116) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 2.555 17.574 4.303) 18.273 1.731 ( 5.373 14.152 3.232) 15.479 1.902 ( 4.192 -4.501 3.545) 7.099 2.000 ( -5.760 -13.229 1.801) 14.541 2.251 ( -1.717 4.669 -1.209) 5.119 2.255 ( -1.012 -1.034 1.000) 1.759 2.281 ( -1.579 -3.600 0.640) 3.983 2.369 ( -0.747 -7.366 -0.371) 7.413 2.731 ( -5.132 2.244 -2.344) 6.072 2.740 ( -2.849 2.418 -0.440) 3.763 2.912 ( -0.849 4.579 1.481) 4.887 2.937 ( -5.082 1.005 2.666) 5.826 3.006 ( -0.296 4.446 -5.064) 6.745 3.157 ( -2.567 -6.846 -4.180) 8.422 3.208 ( -5.788 4.780 1.626) 7.681 3.334 ( -3.047 -5.802 -0.896) 6.614 3.417 ( 6.764 13.678 0.024) 15.259 3.651 ( -0.166 -6.195 -0.853) 6.256 3.785 ( 6.086 4.503 -1.794) 7.780 3.937 ( 4.447 -6.834 2.745) 8.603 4.014 ( 4.048 5.069 -0.509) 6.507 4.184 ( 4.970 -9.667 -0.744) 10.896 4.389 ( -0.682 4.589 -0.070) 4.640 4.506 ( 1.031 -7.225 -0.040) 7.298 6.145 ( 1.223 8.183 0.682) 8.302 6.313 ( 0.786 -8.256 0.346) 8.300 6.635 ( 1.192 5.073 0.275) 5.218 6.707 ( 0.632 0.145 0.521) 0.832 6.737 ( 3.190 1.529 2.169) 4.149 6.831 ( 2.486 -5.603 2.762) 6.724 6.946 ( -2.829 7.126 2.979) 8.225 7.070 ( -1.977 -4.743 1.561) 5.371 7.343 ( -0.753 1.409 -3.820) 4.141 7.383 ( 1.854 -1.951 -2.189) 3.469 7.594 ( -1.962 8.145 -0.709) 8.408 7.709 ( -2.047 -1.608 1.318) 2.918 7.882 ( -1.338 6.501 -1.054) 6.720 7.935 ( -5.802 -1.383 -1.244) 6.093 7.970 ( -2.887 1.891 0.228) 3.459 8.112 ( 1.734 -6.551 1.469) 6.934 8.358 ( -3.834 1.013 -3.586) 5.347 8.407 ( -0.254 -4.732 -4.670) 6.653 8.695 ( 1.468 -0.079 2.923) 3.272 8.711 ( 2.427 -1.293 2.168) 3.502 8.919 ( -2.829 3.121 -0.088) 4.213 8.984 ( -1.301 -3.245 0.566) 3.541 9.422 ( -0.756 1.749 -0.113) 1.909 9.451 ( -0.912 -1.254 -0.765) 1.728 ======================= Grid point 30 (19/116) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 4.655 9.554 1.915) 10.799 1.873 ( 5.569 9.619 1.795) 11.259 1.909 ( -2.752 -8.037 2.455) 8.842 1.979 ( 2.197 0.080 3.868) 4.449 2.182 ( -4.844 2.889 -0.811) 5.698 2.233 ( -1.636 2.302 -1.198) 3.068 2.264 ( 0.179 -7.098 2.732) 7.608 2.348 ( -1.185 -7.313 -1.484) 7.556 2.628 ( -4.175 3.380 -1.902) 5.698 2.680 ( -2.691 -0.772 -0.767) 2.903 2.810 ( -6.406 5.897 0.331) 8.714 2.889 ( -1.573 1.279 1.719) 2.658 2.995 ( -0.299 2.024 -1.556) 2.570 3.081 ( -2.292 0.925 -0.497) 2.521 3.182 ( 0.570 -2.379 -2.468) 3.475 3.311 ( 0.015 -9.326 0.372) 9.333 3.541 ( 5.216 6.444 -1.339) 8.398 3.644 ( -0.271 -3.956 -1.286) 4.168 3.913 ( 6.607 6.933 0.784) 9.609 4.002 ( 1.363 4.466 2.591) 5.340 4.096 ( 4.372 -1.068 -1.547) 4.759 4.236 ( 0.953 -8.337 -2.268) 8.693 4.352 ( -3.038 8.180 0.964) 8.779 4.523 ( 0.675 -7.947 0.114) 7.976 6.162 ( 0.473 7.534 0.036) 7.549 6.308 ( -0.883 -6.229 -0.642) 6.324 6.659 ( 0.931 3.958 0.519) 4.099 6.718 ( 0.339 -1.011 0.452) 1.158 6.812 ( 3.460 2.209 1.761) 4.466 6.880 ( 1.090 -2.947 1.260) 3.386 6.924 ( -0.139 6.386 3.693) 7.378 7.047 ( -0.414 -4.709 1.519) 4.965 7.306 ( -1.857 3.875 -3.292) 5.414 7.415 ( 1.846 -5.904 -2.310) 6.604 7.542 ( -2.454 8.066 -0.200) 8.434 7.672 ( -1.568 -2.471 2.860) 4.092 7.802 ( -5.754 -0.123 -1.546) 5.959 7.826 ( -3.518 -3.281 -3.260) 5.811 7.990 ( 1.982 10.189 2.194) 10.609 8.143 ( 1.023 -2.882 0.355) 3.079 8.290 ( -1.784 2.920 -1.458) 3.720 8.417 ( 1.906 -10.095 -2.150) 10.496 8.726 ( 0.924 0.866 1.466) 1.937 8.752 ( 1.291 -1.598 0.676) 2.163 8.860 ( -2.844 4.340 -0.248) 5.195 8.953 ( -1.693 -4.962 0.042) 5.243 9.414 ( -0.058 1.045 0.239) 1.073 9.433 ( -0.734 -0.809 -0.588) 1.241 ======================= Grid point 31 (20/116) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.000 1.074 0.000) 1.074 1.850 ( -0.000 -2.385 -0.000) 2.385 1.956 ( -0.000 6.749 -0.000) 6.749 2.014 ( 0.000 3.927 0.000) 3.927 2.112 ( 0.000 4.306 -0.000) 4.306 2.201 ( 0.000 3.556 -0.000) 3.556 2.287 ( 0.000 -10.063 0.000) 10.063 2.324 ( 0.000 -7.524 -0.000) 7.524 2.581 ( 0.000 3.601 0.000) 3.601 2.650 ( 0.000 -3.474 0.000) 3.474 2.742 ( 0.000 9.913 0.000) 9.913 2.875 ( 0.000 -0.586 -0.000) 0.586 2.989 ( 0.000 1.554 -0.000) 1.554 3.061 ( 0.000 1.010 -0.000) 1.010 3.187 ( 0.000 -2.268 0.000) 2.268 3.314 ( 0.000 -10.333 0.000) 10.333 3.597 ( 0.000 2.046 0.000) 2.046 3.634 ( -0.000 -0.990 0.000) 0.990 4.006 ( -1.363 5.866 -0.821) 6.078 4.006 ( 1.363 7.840 0.820) 8.000 4.141 ( 0.000 -2.625 0.000) 2.625 4.239 ( -0.000 -9.039 0.000) 9.039 4.308 ( 0.000 12.962 -0.000) 12.962 4.530 ( 0.000 -8.750 0.000) 8.750 6.166 ( 0.000 6.955 -0.000) 6.955 6.295 ( 0.000 -5.027 0.000) 5.027 6.670 ( 0.000 3.091 -0.000) 3.091 6.722 ( 0.000 -1.511 0.000) 1.511 6.853 ( 0.000 0.711 -0.000) 0.711 6.886 ( 0.000 0.490 0.000) 0.490 6.934 ( 0.000 5.832 -0.000) 5.832 7.053 ( 0.000 -4.181 -0.000) 4.181 7.276 ( 0.000 5.328 0.000) 5.328 7.433 ( 0.000 -8.931 0.000) 8.931 7.514 ( 0.000 8.421 0.000) 8.421 7.684 ( 0.000 -7.749 0.000) 7.749 7.708 ( -0.000 4.550 -0.000) 4.550 7.788 ( 0.000 -4.518 0.000) 4.518 8.012 ( 0.000 10.742 -0.000) 10.742 8.153 ( 0.000 -2.568 -0.000) 2.568 8.278 ( 0.000 4.755 0.000) 4.755 8.439 ( -0.000 -11.123 -0.000) 11.123 8.737 ( 0.000 1.166 0.000) 1.166 8.764 ( 0.000 -1.486 -0.000) 1.486 8.828 ( 0.000 4.552 0.000) 4.552 8.933 ( 0.000 -5.850 0.000) 5.850 9.417 ( 0.000 0.157 0.000) 0.157 9.422 ( -0.000 -0.004 -0.000) 0.004 ======================= Grid point 63 (21/116) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 2.883 0.000 24.575) 24.744 0.598 ( -1.233 0.000 27.374) 27.402 1.006 ( -1.057 0.000 45.499) 45.511 1.935 ( 0.281 0.000 3.630) 3.641 2.191 ( -2.456 0.000 -4.347) 4.993 2.300 ( 1.794 0.000 2.152) 2.801 2.372 ( -1.458 0.000 -6.981) 7.132 2.493 ( 0.055 0.000 -3.091) 3.092 2.723 ( 2.222 0.000 1.022) 2.446 2.739 ( -3.560 0.000 -2.183) 4.176 2.906 ( 0.977 0.000 1.606) 1.880 2.952 ( 4.842 0.000 2.744) 5.565 3.107 ( 1.101 0.000 -1.376) 1.762 3.167 ( 1.261 0.000 1.308) 1.817 3.256 ( 1.288 0.000 -1.878) 2.277 3.448 ( -0.265 0.000 3.962) 3.971 3.463 ( -1.298 0.000 2.827) 3.111 3.613 ( -1.088 0.000 -2.211) 2.465 3.643 ( -1.767 0.000 -1.270) 2.176 3.731 ( -1.197 0.000 1.364) 1.815 4.174 ( 1.560 0.000 -1.304) 2.033 4.447 ( 1.811 0.000 -3.483) 3.926 4.470 ( -3.292 0.000 -3.779) 5.012 4.967 ( 0.101 0.000 -7.107) 7.107 6.081 ( -1.776 0.000 2.861) 3.368 6.353 ( 8.482 0.000 3.212) 9.070 6.519 ( 15.393 0.000 2.653) 15.620 6.597 ( 3.059 0.000 6.675) 7.342 6.685 ( 2.696 0.000 6.333) 6.883 6.879 ( -0.564 0.000 -5.497) 5.526 7.013 ( -15.795 0.000 3.339) 16.144 7.138 ( -1.256 0.000 -1.573) 2.013 7.146 ( 3.047 0.000 0.634) 3.113 7.265 ( 0.601 0.000 1.875) 1.969 7.325 ( 1.205 0.000 -2.823) 3.070 7.561 ( -4.072 0.000 -6.081) 7.319 7.650 ( -2.070 0.000 -1.924) 2.826 8.159 ( -9.281 0.000 -2.574) 9.632 8.262 ( -2.263 0.000 -4.464) 5.005 8.385 ( -6.748 0.000 6.429) 9.320 8.447 ( -0.029 0.000 3.616) 3.616 8.516 ( -0.309 0.000 -0.455) 0.550 8.622 ( 14.882 0.000 2.566) 15.102 8.733 ( 3.481 0.000 1.277) 3.707 8.937 ( -0.424 0.000 -2.084) 2.127 9.075 ( 1.879 0.000 -1.637) 2.493 9.171 ( 0.897 0.000 -1.279) 1.562 9.308 ( -3.735 0.000 -1.172) 3.915 ======================= Grid point 64 (22/116) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 11.858 0.000 18.737) 22.175 0.854 ( 17.342 0.000 19.483) 26.083 1.377 ( 22.973 0.000 32.195) 39.551 1.966 ( 1.715 0.000 5.721) 5.973 2.105 ( -5.056 0.000 -5.225) 7.271 2.318 ( -1.979 0.000 -7.624) 7.877 2.327 ( 0.575 0.000 1.649) 1.747 2.469 ( -1.368 0.000 -2.683) 3.011 2.611 ( -7.431 0.000 -0.251) 7.435 2.763 ( 1.446 0.000 3.721) 3.992 2.903 ( -0.993 0.000 1.589) 1.874 3.059 ( 5.765 0.000 3.227) 6.607 3.073 ( -4.171 0.000 -1.546) 4.448 3.215 ( 1.757 0.000 2.814) 3.318 3.313 ( 4.449 0.000 -1.090) 4.581 3.346 ( -7.880 0.000 0.350) 7.888 3.400 ( -5.985 0.000 4.753) 7.642 3.630 ( 1.728 0.000 -0.735) 1.878 3.680 ( -3.360 0.000 0.093) 3.361 3.728 ( 5.574 0.000 -7.683) 9.492 4.232 ( 3.879 0.000 -1.048) 4.018 4.402 ( -5.703 0.000 -2.067) 6.066 4.417 ( -0.103 0.000 -7.284) 7.285 4.911 ( -3.728 0.000 -5.772) 6.871 6.073 ( 0.345 0.000 1.998) 2.028 6.374 ( -2.807 0.000 1.545) 3.204 6.546 ( -9.170 0.000 12.220) 15.278 6.654 ( -2.343 0.000 8.539) 8.854 6.717 ( 1.147 0.000 10.281) 10.345 6.867 ( 0.844 0.000 -5.281) 5.348 7.048 ( 12.090 0.000 -6.681) 13.813 7.135 ( 1.902 0.000 -2.442) 3.095 7.170 ( -0.379 0.000 -0.811) 0.895 7.345 ( 6.997 0.000 1.555) 7.168 7.356 ( 0.314 0.000 -2.285) 2.306 7.387 ( -9.010 0.000 -7.049) 11.440 7.632 ( 0.973 0.000 0.324) 1.025 7.912 ( -10.454 0.000 10.381) 14.733 8.123 ( -8.218 0.000 -6.070) 10.217 8.342 ( -0.697 0.000 6.206) 6.245 8.477 ( -2.052 0.000 -1.889) 2.789 8.538 ( 4.660 0.000 2.665) 5.369 8.796 ( 2.289 0.000 0.885) 2.454 8.818 ( 3.284 0.000 -4.284) 5.398 8.908 ( -3.076 0.000 -0.185) 3.082 9.120 ( 2.589 0.000 0.677) 2.676 9.208 ( 3.052 0.000 -0.795) 3.154 9.316 ( 3.827 0.000 -7.947) 8.821 ======================= Grid point 65 (23/116) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 18.787 0.000 10.586) 21.564 1.261 ( 18.697 0.000 12.078) 22.259 1.879 ( 16.691 0.000 7.469) 18.286 1.972 ( -6.957 0.000 -5.007) 8.572 2.065 ( 8.530 0.000 17.325) 19.311 2.253 ( -1.599 0.000 -6.134) 6.339 2.335 ( 0.006 0.000 1.310) 1.310 2.437 ( -1.061 0.000 -2.102) 2.355 2.483 ( -5.031 0.000 0.172) 5.034 2.803 ( 1.112 0.000 4.940) 5.064 2.881 ( -1.552 0.000 1.337) 2.048 2.932 ( -8.903 0.000 -2.680) 9.298 3.129 ( -9.298 0.000 6.785) 11.510 3.203 ( 7.587 0.000 3.860) 8.513 3.264 ( -6.752 0.000 2.964) 7.374 3.330 ( 2.398 0.000 0.502) 2.450 3.388 ( 2.113 0.000 -1.780) 2.763 3.619 ( -1.306 0.000 0.102) 1.310 3.650 ( 0.596 0.000 -0.946) 1.118 3.774 ( 1.347 0.000 -8.690) 8.794 4.221 ( -12.040 0.000 -1.157) 12.096 4.276 ( 0.875 0.000 -2.097) 2.272 4.448 ( 4.698 0.000 -7.361) 8.732 4.805 ( -5.435 0.000 -4.893) 7.313 6.102 ( 1.953 0.000 1.692) 2.584 6.256 ( -8.994 0.000 11.880) 14.901 6.470 ( -1.533 0.000 5.584) 5.791 6.640 ( -1.448 0.000 2.714) 3.076 6.783 ( 1.985 0.000 11.504) 11.674 6.883 ( 2.059 0.000 -5.416) 5.794 7.142 ( -2.010 0.000 -2.389) 3.122 7.167 ( 2.784 0.000 -5.210) 5.907 7.191 ( -6.632 0.000 -4.166) 7.832 7.213 ( 6.187 0.000 -2.299) 6.600 7.339 ( -2.578 0.000 -2.555) 3.630 7.518 ( 9.681 0.000 0.092) 9.681 7.676 ( 1.265 0.000 1.840) 2.233 7.803 ( -4.592 0.000 10.378) 11.349 7.976 ( -3.472 0.000 -5.898) 6.844 8.336 ( -2.047 0.000 5.564) 5.928 8.401 ( -4.495 0.000 -2.219) 5.013 8.632 ( 3.828 0.000 1.248) 4.026 8.778 ( -5.191 0.000 -3.286) 6.143 8.826 ( 0.934 0.000 -0.704) 1.170 8.871 ( -0.274 0.000 1.985) 2.004 9.164 ( 1.547 0.000 0.171) 1.556 9.272 ( 3.073 0.000 0.312) 3.089 9.357 ( 2.534 0.000 -9.064) 9.412 ======================= Grid point 66 (24/116) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 15.783 0.000 7.351) 17.411 1.602 ( 12.737 0.000 8.008) 15.045 1.822 ( -6.901 0.000 -2.975) 7.515 2.018 ( 0.254 0.000 4.193) 4.201 2.069 ( -4.308 0.000 -6.187) 7.539 2.336 ( -0.344 0.000 0.474) 0.586 2.392 ( -0.777 0.000 3.472) 3.557 2.429 ( 1.111 0.000 -1.746) 2.069 2.585 ( 21.574 0.000 10.074) 23.810 2.717 ( -7.221 0.000 -5.426) 9.033 2.852 ( -1.593 0.000 0.619) 1.709 2.863 ( -1.486 0.000 6.703) 6.866 2.976 ( -7.081 0.000 8.172) 10.813 3.152 ( -4.331 0.000 4.291) 6.097 3.282 ( -6.360 0.000 4.241) 7.645 3.380 ( 1.877 0.000 -0.250) 1.894 3.392 ( 3.663 0.000 -2.567) 4.473 3.658 ( 0.685 0.000 -1.460) 1.613 3.668 ( 4.377 0.000 0.235) 4.383 3.747 ( -0.918 0.000 -8.258) 8.309 3.966 ( -11.933 0.000 -0.359) 11.939 4.278 ( 0.384 0.000 -3.599) 3.619 4.524 ( 4.220 0.000 -4.652) 6.281 4.693 ( -4.330 0.000 -4.144) 5.993 6.128 ( -7.089 0.000 10.780) 12.902 6.149 ( 2.138 0.000 2.101) 2.998 6.460 ( -1.330 0.000 4.420) 4.615 6.619 ( -0.852 0.000 -0.054) 0.854 6.836 ( 0.227 0.000 11.612) 11.614 6.912 ( 2.282 0.000 -5.803) 6.235 7.090 ( -0.962 0.000 0.595) 1.131 7.123 ( -1.376 0.000 -3.145) 3.433 7.191 ( 0.979 0.000 -4.130) 4.244 7.276 ( -2.505 0.000 -2.330) 3.421 7.310 ( 4.309 0.000 -2.862) 5.173 7.633 ( -4.256 0.000 -3.011) 5.213 7.689 ( 6.257 0.000 -1.570) 6.451 7.767 ( -1.167 0.000 9.518) 9.589 7.994 ( 4.368 0.000 -2.092) 4.843 8.280 ( -4.950 0.000 4.982) 7.023 8.309 ( -3.791 0.000 -0.920) 3.901 8.676 ( -3.643 0.000 -1.156) 3.822 8.688 ( 1.765 0.000 0.111) 1.768 8.836 ( 0.370 0.000 -1.203) 1.259 8.880 ( 0.649 0.000 1.843) 1.954 9.178 ( 0.132 0.000 -1.742) 1.747 9.315 ( 1.082 0.000 0.437) 1.167 9.376 ( 1.842 0.000 -7.424) 7.649 ======================= Grid point 67 (25/116) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -5.118 0.000 3.680) 6.304 1.675 ( -6.571 0.000 0.542) 6.593 1.804 ( 5.364 0.000 3.725) 6.531 1.917 ( -2.216 0.000 0.773) 2.347 2.157 ( 8.274 0.000 3.761) 9.088 2.321 ( -0.941 0.000 -0.927) 1.320 2.371 ( -1.502 0.000 0.728) 1.669 2.463 ( 1.839 0.000 -3.513) 3.965 2.644 ( 1.816 0.000 -0.865) 2.011 2.752 ( -8.388 0.000 4.512) 9.525 2.808 ( -3.338 0.000 1.079) 3.508 2.949 ( 0.486 0.000 5.038) 5.062 2.962 ( 0.732 0.000 1.927) 2.061 3.096 ( -0.552 0.000 7.358) 7.379 3.148 ( 1.983 0.000 7.806) 8.054 3.396 ( -0.046 0.000 -0.493) 0.495 3.409 ( -2.211 0.000 -3.722) 4.329 3.620 ( -3.989 0.000 -5.807) 7.045 3.672 ( 1.134 0.000 -1.317) 1.738 3.824 ( 2.777 0.000 -1.461) 3.137 3.861 ( 4.930 0.000 1.403) 5.125 4.272 ( -0.138 0.000 -4.001) 4.004 4.582 ( 2.602 0.000 -2.226) 3.424 4.636 ( 0.105 0.000 -4.610) 4.611 6.033 ( -5.286 0.000 8.545) 10.048 6.188 ( 0.993 0.000 3.149) 3.302 6.440 ( -1.544 0.000 3.216) 3.567 6.606 ( -0.447 0.000 -0.948) 1.048 6.846 ( -2.266 0.000 11.316) 11.540 6.943 ( 2.277 0.000 -4.766) 5.282 7.083 ( -1.911 0.000 -4.583) 4.965 7.125 ( 3.340 0.000 4.027) 5.232 7.187 ( -0.151 0.000 -4.144) 4.147 7.258 ( 1.676 0.000 -1.265) 2.100 7.367 ( 2.348 0.000 -3.277) 4.031 7.555 ( -2.055 0.000 -5.417) 5.794 7.691 ( -3.881 0.000 2.948) 4.874 7.817 ( 1.477 0.000 1.520) 2.119 8.040 ( -0.043 0.000 -1.717) 1.717 8.201 ( -3.282 0.000 5.178) 6.130 8.295 ( 2.969 0.000 1.217) 3.209 8.646 ( 0.513 0.000 0.084) 0.520 8.704 ( -0.052 0.000 -0.463) 0.466 8.832 ( -0.519 0.000 -1.332) 1.429 8.906 ( 1.371 0.000 2.518) 2.867 9.161 ( -1.201 0.000 -3.436) 3.640 9.315 ( -1.039 0.000 -0.408) 1.117 9.396 ( 1.980 0.000 -5.784) 6.113 ======================= Grid point 68 (26/116) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -17.698 0.000 3.286) 18.000 1.499 ( -13.037 0.000 3.635) 13.535 1.892 ( -3.371 0.000 0.988) 3.513 1.914 ( 6.573 0.000 0.310) 6.581 2.252 ( -10.863 0.000 7.451) 13.173 2.300 ( -1.024 0.000 -0.803) 1.301 2.374 ( 6.321 0.000 2.632) 6.847 2.467 ( -0.166 0.000 -2.312) 2.318 2.614 ( -10.826 0.000 4.648) 11.781 2.631 ( -2.861 0.000 -0.972) 3.022 2.761 ( 7.070 0.000 3.833) 8.042 2.839 ( -2.154 0.000 0.974) 2.364 3.012 ( 5.474 0.000 1.559) 5.691 3.153 ( -4.849 0.000 -2.152) 5.306 3.218 ( 1.783 0.000 7.751) 7.953 3.389 ( -0.098 0.000 0.831) 0.836 3.431 ( 2.122 0.000 -1.453) 2.572 3.565 ( 1.866 0.000 -2.399) 3.039 3.689 ( 0.756 0.000 -0.883) 1.162 3.890 ( 5.872 0.000 -3.227) 6.700 4.007 ( 7.186 0.000 1.238) 7.292 4.250 ( -1.005 0.000 -4.076) 4.198 4.612 ( 0.723 0.000 -0.419) 0.836 4.681 ( 5.748 0.000 -6.136) 8.408 5.963 ( -4.034 0.000 7.356) 8.390 6.198 ( -1.003 0.000 4.239) 4.356 6.423 ( -0.672 0.000 1.193) 1.369 6.593 ( -0.703 0.000 -0.537) 0.885 6.806 ( -4.638 0.000 10.477) 11.458 6.965 ( 0.374 0.000 -2.526) 2.554 7.036 ( -0.615 0.000 -7.215) 7.241 7.170 ( -0.339 0.000 -4.379) 4.392 7.227 ( 5.931 0.000 3.423) 6.847 7.334 ( 5.572 0.000 2.177) 5.982 7.385 ( 0.331 0.000 -2.536) 2.557 7.525 ( 0.230 0.000 -5.897) 5.902 7.573 ( -7.912 0.000 -1.884) 8.133 7.833 ( 0.315 0.000 7.555) 7.561 8.030 ( 0.800 0.000 0.113) 0.808 8.187 ( 0.097 0.000 3.257) 3.258 8.394 ( 5.691 0.000 0.881) 5.758 8.680 ( -2.353 0.000 -0.864) 2.507 8.681 ( 2.581 0.000 -0.232) 2.592 8.804 ( -2.102 0.000 -1.604) 2.644 8.944 ( 1.661 0.000 2.975) 3.407 9.119 ( -1.851 0.000 -4.338) 4.716 9.278 ( -2.330 0.000 -1.482) 2.761 9.422 ( 1.977 0.000 -4.798) 5.190 ======================= Grid point 69 (27/116) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -21.293 0.000 4.384) 21.740 1.179 ( -20.761 0.000 9.194) 22.705 1.661 ( -24.597 0.000 15.895) 29.285 2.007 ( -7.521 0.000 5.351) 9.231 2.069 ( 8.756 0.000 -1.818) 8.943 2.277 ( -1.093 0.000 -0.232) 1.118 2.422 ( -0.282 0.000 -3.375) 3.387 2.460 ( 0.412 0.000 -1.457) 1.514 2.626 ( 2.065 0.000 -2.554) 3.284 2.629 ( 5.052 0.000 8.366) 9.773 2.822 ( -0.209 0.000 0.399) 0.451 2.907 ( 7.039 0.000 1.223) 7.145 3.029 ( -5.643 0.000 -2.820) 6.308 3.152 ( 6.294 0.000 2.586) 6.804 3.240 ( 0.803 0.000 2.211) 2.352 3.366 ( -4.794 0.000 -3.487) 5.928 3.411 ( 1.330 0.000 4.548) 4.738 3.656 ( 4.236 0.000 2.034) 4.699 3.692 ( -0.430 0.000 -0.740) 0.856 3.957 ( 0.087 0.000 -4.970) 4.970 4.174 ( 10.530 0.000 -3.324) 11.042 4.215 ( -1.466 0.000 -3.600) 3.887 4.603 ( -1.744 0.000 0.195) 1.755 4.806 ( 8.057 0.000 -7.093) 10.734 5.920 ( -2.000 0.000 9.660) 9.865 6.172 ( -2.773 0.000 4.595) 5.366 6.421 ( 0.372 0.000 -1.254) 1.308 6.579 ( -0.588 0.000 0.831) 1.018 6.728 ( -5.568 0.000 9.429) 10.950 6.944 ( -1.278 0.000 -2.393) 2.713 7.032 ( 1.845 0.000 -6.985) 7.225 7.157 ( 0.188 0.000 -4.010) 4.014 7.329 ( 2.694 0.000 -1.438) 3.054 7.365 ( -2.478 0.000 0.155) 2.483 7.408 ( -7.205 0.000 -4.514) 8.502 7.475 ( 7.591 0.000 4.659) 8.906 7.539 ( 3.014 0.000 -2.950) 4.217 7.896 ( 3.880 0.000 13.343) 13.895 8.096 ( 5.509 0.000 1.225) 5.644 8.206 ( 1.130 0.000 1.358) 1.766 8.496 ( 4.253 0.000 0.095) 4.254 8.605 ( -4.908 0.000 -1.026) 5.014 8.724 ( 1.552 0.000 -1.323) 2.040 8.741 ( -3.647 0.000 -1.935) 4.128 8.975 ( 0.594 0.000 1.870) 1.962 9.077 ( -1.098 0.000 -4.242) 4.382 9.224 ( -2.460 0.000 -2.052) 3.203 9.441 ( 0.930 0.000 -4.983) 5.069 ======================= Grid point 70 (28/116) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -16.845 0.000 12.877) 21.203 0.790 ( -20.752 0.000 18.236) 27.627 1.202 ( -25.145 0.000 35.369) 43.396 1.942 ( -1.888 0.000 2.885) 3.448 2.202 ( 4.120 0.000 -3.255) 5.251 2.261 ( -0.000 0.000 1.585) 1.585 2.402 ( -0.385 0.000 -5.347) 5.361 2.479 ( 1.724 0.000 -2.628) 3.142 2.672 ( 2.850 0.000 -1.359) 3.157 2.725 ( 2.845 0.000 4.506) 5.329 2.839 ( 1.767 0.000 3.696) 4.096 2.943 ( -2.438 0.000 -1.032) 2.648 3.036 ( 5.891 0.000 -1.352) 6.045 3.172 ( -1.542 0.000 1.720) 2.310 3.278 ( -2.802 0.000 -2.873) 4.013 3.355 ( 7.133 0.000 2.452) 7.543 3.449 ( 1.139 0.000 4.437) 4.581 3.664 ( -2.241 0.000 -1.306) 2.594 3.720 ( 1.810 0.000 1.905) 2.628 3.844 ( -10.001 0.000 -9.660) 13.904 4.179 ( -1.174 0.000 -2.319) 2.600 4.356 ( 8.176 0.000 -4.503) 9.334 4.547 ( -3.632 0.000 -0.912) 3.745 4.929 ( 5.746 0.000 -7.793) 9.682 5.995 ( 8.929 0.000 19.424) 21.378 6.123 ( -3.113 0.000 3.941) 5.023 6.427 ( 0.903 0.000 -3.308) 3.429 6.578 ( -0.209 0.000 3.078) 3.085 6.665 ( -2.551 0.000 8.962) 9.318 6.911 ( -1.181 0.000 -4.706) 4.852 7.074 ( 3.662 0.000 -2.395) 4.375 7.154 ( 0.196 0.000 -2.831) 2.838 7.246 ( -7.570 0.000 -3.410) 8.303 7.313 ( -4.260 0.000 -0.172) 4.263 7.332 ( -0.594 0.000 -3.009) 3.067 7.574 ( 2.563 0.000 -3.069) 3.999 7.642 ( 4.569 0.000 1.743) 4.890 8.082 ( 11.919 0.000 12.963) 17.610 8.216 ( 5.536 0.000 -0.277) 5.543 8.243 ( 2.996 0.000 3.276) 4.440 8.504 ( -4.260 0.000 1.497) 4.515 8.537 ( -1.211 0.000 -0.689) 1.393 8.687 ( 0.086 0.000 -1.414) 1.416 8.701 ( -5.053 0.000 -2.729) 5.743 8.966 ( -1.607 0.000 -1.028) 1.907 9.059 ( 0.366 0.000 -3.389) 3.409 9.180 ( -1.345 0.000 -1.803) 2.250 9.412 ( -3.197 0.000 -5.731) 6.562 ======================= Grid point 71 (29/116) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 4.389 22.151 15.061) 27.144 0.827 ( 0.225 17.754 19.630) 26.468 1.417 ( -2.126 33.891 28.319) 44.216 1.937 ( 0.185 0.341 3.254) 3.277 2.184 ( -2.213 -0.609 -4.370) 4.937 2.291 ( 1.111 -0.553 0.634) 1.393 2.363 ( -0.602 -0.344 -2.348) 2.448 2.539 ( 0.371 3.104 -4.824) 5.748 2.652 ( 1.169 -4.294 0.863) 4.534 2.751 ( -1.649 0.966 -0.609) 2.006 2.857 ( -0.331 -3.941 0.555) 3.993 2.949 ( 3.522 -0.161 2.016) 4.061 3.005 ( 0.922 -6.616 -1.916) 6.949 3.157 ( 1.968 -1.164 3.522) 4.199 3.309 ( -0.048 2.441 -2.415) 3.434 3.457 ( 1.132 0.934 1.363) 2.003 3.484 ( -2.606 1.233 4.099) 5.011 3.605 ( -2.140 -1.604 -1.207) 2.934 3.676 ( -1.342 2.825 -0.744) 3.215 3.767 ( -0.393 3.632 -0.917) 3.766 4.143 ( 1.393 -3.168 -0.299) 3.473 4.386 ( -1.119 -6.129 -3.824) 7.310 4.440 ( -0.595 -2.684 -2.094) 3.456 4.878 ( 0.961 -7.635 -5.457) 9.434 6.013 ( 0.042 -0.016 10.323) 10.323 6.429 ( 0.776 3.331 -2.888) 4.476 6.554 ( 1.712 -2.916 4.212) 5.401 6.647 ( 4.156 3.929 6.372) 8.562 6.754 ( 7.009 5.602 1.808) 9.153 6.853 ( 3.066 -1.156 -4.283) 5.393 6.989 ( -4.681 -1.872 2.964) 5.848 7.117 ( -2.893 -1.052 0.177) 3.083 7.192 ( -1.036 4.365 -0.409) 4.505 7.273 ( 0.753 1.221 0.721) 1.605 7.428 ( 0.634 3.557 -0.796) 3.699 7.599 ( -2.386 3.723 -6.123) 7.553 7.644 ( -2.592 2.508 -2.324) 4.291 8.170 ( -2.014 -0.729 -3.375) 3.997 8.253 ( -3.428 -1.289 -4.177) 5.555 8.330 ( -2.080 -3.789 5.478) 6.978 8.347 ( -1.590 -3.953 4.642) 6.301 8.502 ( -0.185 -1.246 -0.702) 1.442 8.676 ( 5.062 1.294 0.097) 5.226 8.717 ( 3.287 -1.423 1.051) 3.733 8.938 ( 0.471 0.310 -2.014) 2.092 9.053 ( 1.532 -1.852 -1.083) 2.637 9.295 ( 2.171 6.635 -7.786) 10.457 9.345 ( -3.912 3.031 -2.342) 5.476 ======================= Grid point 72 (30/116) ======================= q-point: ( 0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 7.064 18.168 14.160) 24.093 1.001 ( 11.843 13.530 16.555) 24.442 1.669 ( 17.455 24.838 21.469) 37.182 1.970 ( 1.936 0.361 5.820) 6.145 2.111 ( -3.901 0.829 -5.266) 6.606 2.304 ( 0.104 -0.777 -3.682) 3.765 2.344 ( -0.565 1.159 0.381) 1.345 2.503 ( -2.329 2.736 -4.248) 5.564 2.638 ( -4.329 1.866 0.772) 4.777 2.717 ( -0.028 -3.305 2.267) 4.008 2.848 ( -0.917 -5.489 0.260) 5.572 2.991 ( -1.094 -5.400 -1.298) 5.661 3.055 ( 5.698 0.180 1.625) 5.928 3.184 ( -1.654 -3.503 5.685) 6.880 3.290 ( -0.939 -1.108 -1.995) 2.468 3.403 ( -4.874 0.575 3.156) 5.835 3.411 ( -4.896 3.611 -0.289) 6.091 3.587 ( -0.220 -3.277 0.564) 3.332 3.710 ( 2.532 2.078 -1.925) 3.799 3.765 ( 1.018 4.056 -2.945) 5.115 4.206 ( 3.871 -2.679 -0.147) 4.710 4.350 ( -0.708 -5.093 -5.745) 7.710 4.401 ( -2.959 -1.593 -2.421) 4.142 4.848 ( -2.581 -6.187 -4.775) 8.231 6.033 ( -0.006 -0.192 7.352) 7.355 6.428 ( -0.764 3.692 -1.345) 4.003 6.576 ( -2.407 -1.234 4.692) 5.416 6.671 ( -1.952 1.153 8.629) 8.922 6.766 ( -1.383 4.357 9.409) 10.461 6.889 ( -2.154 2.187 0.190) 3.076 7.000 ( 4.777 -2.820 -3.901) 6.781 7.111 ( 2.452 0.248 -0.886) 2.619 7.230 ( 4.146 2.493 -1.257) 4.998 7.317 ( 2.335 0.756 -0.366) 2.481 7.431 ( -0.500 0.124 -1.467) 1.555 7.454 ( -7.250 5.916 -5.599) 10.905 7.640 ( 2.433 4.477 -1.790) 5.401 7.993 ( -10.154 5.710 2.865) 11.997 8.118 ( -7.459 -0.965 -5.511) 9.324 8.310 ( -0.629 -3.043 5.423) 6.250 8.424 ( 1.121 -5.204 -0.701) 5.370 8.495 ( 2.231 -3.081 0.315) 3.817 8.750 ( 2.296 -2.021 1.129) 3.260 8.808 ( 3.767 -2.281 -1.001) 4.516 8.906 ( -3.220 0.286 -0.861) 3.346 9.094 ( 2.230 -2.025 1.105) 3.208 9.275 ( 0.053 4.713 -2.666) 5.415 9.348 ( 2.624 2.333 -7.741) 8.500 ======================= Grid point 73 (31/116) ======================= q-point: ( 0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 15.432 10.032 8.922) 20.455 1.312 ( 14.958 6.496 11.962) 20.225 1.971 ( 4.166 4.477 0.791) 6.166 1.997 ( -4.076 3.596 -2.333) 5.915 2.102 ( 7.442 3.395 11.415) 14.043 2.263 ( -2.049 0.685 -5.319) 5.741 2.386 ( 5.559 5.742 5.344) 9.614 2.448 ( -1.976 1.714 -2.415) 3.560 2.534 ( -4.794 3.897 0.535) 6.201 2.753 ( 2.238 -4.434 5.044) 7.079 2.807 ( -3.534 -6.315 -0.407) 7.248 2.937 ( -3.417 -0.104 -1.830) 3.877 3.075 ( -9.079 -4.077 5.548) 11.394 3.184 ( 4.302 -1.144 3.167) 5.463 3.270 ( -1.527 -0.377 -0.283) 1.598 3.289 ( -2.920 -2.343 2.765) 4.654 3.404 ( 1.621 0.447 -1.781) 2.449 3.599 ( 2.230 -0.356 0.385) 2.291 3.723 ( -0.491 4.621 -0.354) 4.661 3.783 ( 1.293 1.463 -6.277) 6.573 4.225 ( -6.887 -0.324 -2.262) 7.256 4.259 ( -2.084 -1.042 -0.060) 2.331 4.420 ( 4.972 -2.727 -6.099) 8.328 4.764 ( -4.428 -4.092 -4.024) 7.249 6.056 ( 0.473 -0.780 6.269) 6.335 6.360 ( -5.979 5.782 3.537) 9.038 6.531 ( -1.404 4.065 5.134) 6.697 6.670 ( -0.697 2.922 4.718) 5.593 6.793 ( 0.485 1.946 10.241) 10.435 6.888 ( 1.530 0.226 -1.973) 2.507 7.025 ( 0.298 -5.080 -2.307) 5.587 7.146 ( -0.367 -1.009 -1.433) 1.790 7.262 ( -4.518 0.713 -4.787) 6.621 7.291 ( 1.744 5.465 -3.667) 6.809 7.381 ( 0.783 6.136 -1.410) 6.344 7.491 ( 5.820 -3.631 1.744) 7.078 7.712 ( 3.589 4.117 -0.290) 5.469 7.843 ( -6.184 3.229 3.279) 7.708 7.989 ( -3.049 0.773 -3.471) 4.684 8.286 ( -3.587 -4.146 3.283) 6.390 8.377 ( -3.295 -2.628 -0.168) 4.218 8.581 ( 4.330 -4.731 -0.059) 6.413 8.773 ( -1.747 -1.004 -2.643) 3.324 8.805 ( -1.465 0.050 0.045) 1.467 8.873 ( 0.179 -1.285 1.999) 2.383 9.129 ( 1.101 -2.870 0.286) 3.087 9.300 ( 2.321 2.449 -0.951) 3.506 9.367 ( 1.435 0.722 -8.093) 8.251 ======================= Grid point 74 (32/116) ======================= q-point: ( 0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 14.289 6.274 5.959) 16.705 1.610 ( 12.817 1.151 7.127) 14.710 1.861 ( -6.507 3.766 -1.882) 7.750 2.041 ( 1.003 2.099 2.875) 3.698 2.084 ( -5.291 1.094 -4.644) 7.124 2.247 ( -0.940 -5.524 3.275) 6.490 2.416 ( 0.141 -0.165 -2.341) 2.351 2.435 ( -2.328 3.101 0.759) 3.951 2.582 ( 1.598 -2.400 -0.669) 2.960 2.763 ( 2.203 0.336 5.998) 6.399 2.818 ( 0.548 -3.372 5.318) 6.321 2.890 ( 0.870 2.788 1.245) 3.175 2.917 ( -6.847 -2.168 3.118) 7.830 3.130 ( -4.661 -1.459 4.458) 6.613 3.270 ( 0.366 -2.195 -1.791) 2.856 3.362 ( 5.420 0.214 1.615) 5.659 3.433 ( 1.441 2.219 -0.627) 2.719 3.669 ( 2.649 0.843 -0.640) 2.853 3.714 ( 1.101 4.565 0.425) 4.715 3.781 ( 1.013 2.382 -5.834) 6.382 3.998 ( -12.993 4.206 -0.019) 13.657 4.262 ( 0.766 -1.736 -2.159) 2.874 4.493 ( 3.205 -3.199 -3.932) 5.997 4.676 ( -2.952 -1.694 -3.706) 5.032 6.073 ( -0.935 -0.636 7.139) 7.228 6.269 ( -3.489 6.461 3.594) 8.176 6.527 ( -0.908 5.599 4.445) 7.206 6.659 ( -1.013 4.098 0.886) 4.313 6.819 ( -0.312 -0.624 7.888) 7.919 6.922 ( 1.942 0.047 -0.596) 2.032 7.022 ( -0.018 -5.372 -2.239) 5.820 7.119 ( -0.280 2.380 0.683) 2.492 7.189 ( -2.615 -3.527 -2.705) 5.157 7.291 ( -0.267 5.195 -3.710) 6.389 7.412 ( 2.249 6.119 -1.391) 6.666 7.597 ( 1.374 -2.779 -1.429) 3.414 7.708 ( 0.780 -0.189 -1.835) 2.003 7.800 ( -1.319 4.969 3.923) 6.467 8.016 ( 5.435 0.605 -0.765) 5.522 8.199 ( -5.063 -5.878 1.539) 7.909 8.305 ( -4.747 -1.289 2.449) 5.495 8.647 ( 2.610 -3.656 -1.299) 4.676 8.695 ( -2.731 1.199 -1.818) 3.493 8.815 ( 0.661 -1.001 0.330) 1.244 8.875 ( -0.590 -1.216 2.205) 2.586 9.139 ( 0.123 -3.745 -1.570) 4.063 9.336 ( 1.068 1.812 -1.138) 2.391 9.371 ( 1.368 -0.432 -6.540) 6.696 ======================= Grid point 75 (33/116) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -4.895 3.906 2.501) 6.743 1.749 ( -5.877 6.048 0.685) 8.461 1.802 ( 2.955 0.897 2.645) 4.066 1.969 ( -0.216 3.967 -0.100) 3.974 2.132 ( 6.013 -4.861 3.366) 8.433 2.234 ( -0.373 -5.941 3.422) 6.867 2.403 ( -1.133 2.310 -0.663) 2.657 2.445 ( 2.706 -0.842 -1.453) 3.185 2.536 ( -1.806 -6.298 -4.519) 7.959 2.709 ( -4.799 -1.879 3.944) 6.489 2.825 ( -3.184 -0.906 2.434) 4.109 2.873 ( 1.917 -4.043 3.025) 5.401 2.947 ( -1.060 -0.218 3.410) 3.578 3.096 ( -0.296 -2.438 3.269) 4.089 3.360 ( 8.957 7.301 0.521) 11.567 3.395 ( -3.355 2.901 0.367) 4.451 3.431 ( -2.146 5.279 1.480) 5.888 3.664 ( -0.903 2.342 -3.536) 4.336 3.709 ( -2.676 5.127 -1.343) 5.938 3.797 ( -2.628 -1.340 -0.584) 3.007 3.891 ( 7.993 3.247 1.033) 8.689 4.263 ( -0.258 -1.048 -2.634) 2.846 4.526 ( 1.684 -4.765 -2.037) 5.449 4.645 ( 0.574 0.138 -3.893) 3.937 6.047 ( -3.372 1.733 7.546) 8.445 6.251 ( 0.367 5.372 3.014) 6.170 6.511 ( -1.754 6.315 3.345) 7.358 6.638 ( -1.246 2.896 -1.133) 3.350 6.821 ( -1.542 -1.303 7.565) 7.830 6.948 ( 0.626 -0.712 -0.238) 0.978 7.004 ( -1.144 -5.164 -3.049) 6.105 7.139 ( 0.144 -0.257 0.341) 0.451 7.179 ( 4.003 -0.155 1.516) 4.283 7.278 ( 0.233 3.822 -3.474) 5.170 7.447 ( 1.625 5.470 -1.587) 5.923 7.549 ( -2.402 -0.386 -4.650) 5.247 7.737 ( -2.898 1.880 -3.780) 5.121 7.792 ( 1.987 0.451 5.347) 5.723 8.080 ( -1.749 2.591 -1.772) 3.594 8.162 ( 1.614 -5.108 3.084) 6.181 8.239 ( -0.003 -3.037 3.394) 4.554 8.662 ( 0.650 0.539 -1.727) 1.922 8.697 ( 1.627 -0.384 -0.285) 1.696 8.820 ( -0.182 -1.159 -0.373) 1.231 8.864 ( -1.086 -3.296 2.727) 4.414 9.125 ( -0.983 -3.681 -3.060) 4.887 9.329 ( -0.799 1.222 -2.700) 3.069 9.395 ( 2.181 -0.075 -4.169) 4.706 ======================= Grid point 76 (34/116) ======================= q-point: (-0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -16.090 5.383 1.321) 17.018 1.550 ( -15.218 4.880 5.545) 16.916 1.847 ( 0.998 -1.134 0.722) 1.675 1.982 ( 2.381 2.945 -0.807) 3.872 2.170 ( -3.202 -4.439 4.527) 7.103 2.320 ( 3.739 -1.358 1.614) 4.293 2.378 ( -0.904 1.677 -1.242) 2.274 2.491 ( 1.434 0.045 -3.298) 3.597 2.521 ( 3.052 -2.019 2.213) 4.277 2.699 ( -6.044 2.624 2.110) 6.918 2.754 ( 3.628 -2.661 3.035) 5.428 2.890 ( -2.101 2.158 3.311) 4.476 2.961 ( 5.460 -2.238 0.227) 5.905 3.092 ( -1.473 -4.826 -0.374) 5.059 3.248 ( -8.352 4.848 2.927) 10.091 3.395 ( -1.801 -0.215 -0.417) 1.861 3.510 ( 3.154 4.687 3.058) 6.425 3.626 ( -0.944 5.968 -0.441) 6.058 3.689 ( 1.108 0.876 -1.890) 2.360 3.849 ( 5.935 -3.653 -2.185) 7.304 4.057 ( 7.942 4.716 0.393) 9.245 4.238 ( -1.391 -1.496 -2.896) 3.544 4.561 ( 1.667 -4.849 -0.795) 5.189 4.667 ( 2.964 -1.287 -4.640) 5.654 5.996 ( -3.489 3.280 7.283) 8.716 6.278 ( 1.201 6.891 3.596) 7.865 6.482 ( -1.577 5.621 1.240) 5.968 6.602 ( -2.020 0.325 -1.421) 2.491 6.795 ( -3.299 -0.241 8.704) 9.312 6.936 ( -1.656 -3.206 -1.064) 3.763 6.976 ( -0.291 -4.038 -4.228) 5.854 7.164 ( 2.464 -1.614 -1.996) 3.558 7.264 ( 2.131 3.704 -1.032) 4.396 7.319 ( 5.144 1.113 3.459) 6.298 7.463 ( 0.076 4.409 -0.749) 4.473 7.508 ( -0.518 -0.393 -4.501) 4.547 7.626 ( -5.478 3.994 -3.590) 7.672 7.853 ( 2.543 1.544 5.363) 6.133 8.042 ( 0.018 0.726 0.238) 0.765 8.182 ( 0.709 -0.417 3.403) 3.501 8.332 ( 6.037 -5.045 1.129) 7.948 8.669 ( -0.542 -0.418 -2.470) 2.563 8.716 ( 0.329 2.110 0.211) 2.146 8.800 ( -2.060 -0.458 -0.942) 2.310 8.863 ( 0.751 -6.901 2.480) 7.372 9.089 ( -1.566 -2.952 -3.991) 5.205 9.302 ( -1.152 1.975 -2.326) 3.261 9.427 ( 2.078 0.232 -3.925) 4.447 ======================= Grid point 77 (35/116) ======================= q-point: (-0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -19.467 7.584 2.644) 21.059 1.224 ( -18.933 7.021 12.049) 23.515 1.792 ( -8.036 7.360 6.021) 12.450 2.043 ( -4.451 5.093 3.540) 7.634 2.115 ( 3.984 3.400 0.034) 5.238 2.301 ( -2.719 3.106 0.834) 4.211 2.380 ( 0.349 -3.067 -1.691) 3.519 2.485 ( 0.309 0.683 -2.475) 2.586 2.585 ( 0.231 -2.328 -0.104) 2.342 2.674 ( 5.428 2.871 4.138) 7.405 2.824 ( 0.414 0.114 -2.089) 2.133 2.904 ( 3.364 -1.091 4.587) 5.792 3.008 ( -4.058 -1.770 -3.105) 5.408 3.127 ( 3.838 -1.027 4.037) 5.664 3.159 ( 2.969 -3.517 0.120) 4.604 3.350 ( -2.492 -0.957 -1.142) 2.903 3.519 ( -1.059 5.893 3.371) 6.871 3.635 ( 0.438 -1.503 2.686) 3.109 3.718 ( 1.886 2.484 -1.684) 3.544 3.921 ( 0.274 -2.880 -3.256) 4.356 4.181 ( 1.318 -1.621 -2.983) 3.642 4.226 ( 4.938 2.409 -2.515) 6.043 4.557 ( -2.183 -4.590 0.717) 5.133 4.745 ( 5.934 -5.020 -6.019) 9.831 5.960 ( -2.006 3.807 9.039) 10.011 6.315 ( 2.048 11.674 2.987) 12.222 6.464 ( -0.209 4.057 -0.985) 4.180 6.558 ( -2.054 -2.518 -0.163) 3.253 6.740 ( -4.310 1.582 8.843) 9.964 6.898 ( -1.470 -4.086 -2.325) 4.926 6.972 ( 0.951 -3.915 -3.373) 5.254 7.193 ( 0.768 0.279 -4.572) 4.645 7.292 ( 0.994 0.457 -0.338) 1.145 7.371 ( -3.345 1.407 1.978) 4.133 7.428 ( -1.676 0.824 -1.001) 2.119 7.543 ( 4.868 3.030 0.836) 5.794 7.583 ( 2.150 5.490 -3.540) 6.877 7.936 ( 5.005 2.553 7.918) 9.709 8.103 ( 5.383 0.507 1.277) 5.556 8.214 ( 1.964 1.023 2.202) 3.123 8.439 ( 4.260 -5.029 0.247) 6.595 8.605 ( -4.989 0.047 -1.019) 5.092 8.710 ( -1.992 -0.676 -1.537) 2.605 8.744 ( -2.131 -1.850 -1.391) 3.146 8.894 ( 1.568 -4.720 0.563) 5.005 9.054 ( -0.823 -2.101 -3.832) 4.447 9.279 ( -0.567 3.758 -2.008) 4.298 9.450 ( 1.027 0.416 -4.349) 4.488 ======================= Grid point 78 (36/116) ======================= q-point: (-0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -9.337 16.576 11.196) 22.075 0.928 ( -13.930 14.215 16.571) 25.898 1.569 ( -15.907 27.551 20.229) 37.700 1.954 ( -3.004 2.161 3.017) 4.774 2.203 ( 2.277 -0.133 -3.365) 4.065 2.272 ( -0.293 1.211 1.908) 2.279 2.376 ( -0.107 -1.869 -2.473) 3.102 2.513 ( 2.808 2.637 -4.069) 5.603 2.616 ( 2.504 -5.448 -1.219) 6.119 2.755 ( 1.083 3.184 1.654) 3.748 2.837 ( 2.176 -0.432 0.523) 2.280 2.930 ( -2.261 -1.808 -0.409) 2.924 2.979 ( 2.534 -5.809 -1.194) 6.450 3.120 ( 0.226 -0.872 3.556) 3.668 3.304 ( 0.570 1.269 -1.998) 2.435 3.348 ( 7.491 -0.364 2.682) 7.965 3.509 ( -0.987 3.723 3.345) 5.102 3.638 ( -0.818 -2.245 1.183) 2.666 3.738 ( -0.162 1.678 -0.724) 1.835 3.832 ( -6.860 -0.054 -4.730) 8.333 4.153 ( -1.447 -3.086 -1.553) 3.745 4.347 ( 5.732 -0.982 -4.006) 7.061 4.493 ( -3.948 -5.225 0.177) 6.552 4.838 ( 4.562 -7.346 -5.966) 10.506 5.974 ( 0.473 2.139 12.107) 12.304 6.391 ( 4.867 12.950 -0.392) 13.840 6.479 ( 3.597 5.810 -1.627) 7.024 6.538 ( 0.133 -2.797 3.251) 4.291 6.695 ( -1.910 2.801 8.211) 8.884 6.867 ( -1.067 -3.946 -3.300) 5.253 6.995 ( 1.670 -4.685 -0.808) 5.039 7.173 ( -1.562 0.141 -3.449) 3.789 7.263 ( -4.518 2.256 0.395) 5.065 7.295 ( -2.298 0.808 -0.139) 2.439 7.419 ( 0.219 3.637 -0.142) 3.646 7.601 ( 2.117 2.256 -4.478) 5.443 7.658 ( 2.822 2.973 0.977) 4.214 8.087 ( 7.445 -0.488 4.781) 8.861 8.211 ( 4.436 -0.497 0.168) 4.467 8.283 ( 4.558 2.605 2.648) 5.880 8.462 ( -3.831 -4.982 1.487) 6.457 8.514 ( -2.507 -0.793 0.202) 2.637 8.649 ( -1.704 -1.125 -1.448) 2.503 8.709 ( -1.730 -1.541 -1.854) 2.967 8.920 ( 1.302 -1.627 -1.125) 2.368 9.041 ( 0.361 -1.659 -2.926) 3.382 9.274 ( 0.833 5.634 -3.064) 6.467 9.430 ( -2.149 1.158 -5.371) 5.900 ======================= Grid point 79 (37/116) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 1.646 20.094 12.591) 23.770 1.280 ( 3.168 25.057 6.713) 26.133 1.922 ( 1.969 0.548 5.196) 5.584 2.089 ( -2.335 21.718 5.145) 22.441 2.183 ( -0.852 0.835 -4.875) 5.019 2.280 ( -0.202 -0.570 -1.609) 1.719 2.379 ( 0.071 2.974 4.825) 5.668 2.485 ( 0.072 -6.571 1.041) 6.654 2.612 ( 2.962 -3.785 -4.509) 6.590 2.757 ( -3.000 1.319 0.236) 3.286 2.815 ( -1.022 3.575 -4.297) 5.682 2.895 ( 1.555 -2.491 -1.646) 3.366 2.997 ( 3.547 3.215 -0.249) 4.794 3.137 ( -0.119 -0.532 3.246) 3.291 3.297 ( -1.174 -3.227 -1.453) 3.728 3.488 ( 0.546 1.918 1.049) 2.253 3.515 ( -2.647 2.507 4.727) 5.969 3.604 ( -2.795 1.473 -0.284) 3.172 3.734 ( -0.265 2.506 -0.018) 2.520 3.826 ( 1.274 1.923 -1.410) 2.704 4.053 ( 1.641 -5.619 2.169) 6.242 4.201 ( -2.416 -12.403 -1.366) 12.710 4.383 ( -0.128 -2.407 -0.972) 2.599 4.683 ( 0.759 -11.255 -2.431) 11.540 6.070 ( -0.271 4.717 9.081) 10.237 6.439 ( 1.861 -5.150 3.487) 6.492 6.518 ( -0.037 2.810 -1.669) 3.269 6.704 ( -1.063 1.762 5.413) 5.791 6.762 ( 0.780 -1.712 4.250) 4.648 6.901 ( 4.153 0.123 0.729) 4.218 6.969 ( 3.903 2.777 0.059) 4.791 7.104 ( -2.906 -0.075 2.130) 3.603 7.281 ( -0.663 1.911 -0.837) 2.189 7.346 ( -0.368 8.040 -0.805) 8.089 7.420 ( -1.583 -1.761 0.907) 2.536 7.682 ( -1.182 3.425 -4.017) 5.410 7.762 ( 0.572 7.434 -4.633) 8.778 8.104 ( 1.029 -4.256 -1.372) 4.589 8.202 ( -2.601 -4.386 -2.219) 5.561 8.253 ( -2.890 -4.967 2.273) 6.180 8.327 ( -2.782 1.958 -0.188) 3.407 8.467 ( -0.951 -2.209 -1.436) 2.801 8.678 ( 3.199 -0.656 0.745) 3.349 8.685 ( 2.232 -1.444 1.086) 2.872 8.950 ( 0.741 0.791 -1.733) 2.044 9.017 ( 1.306 -1.535 -0.704) 2.135 9.379 ( 1.478 2.557 -5.348) 6.109 9.398 ( -2.239 1.857 -4.286) 5.179 ======================= Grid point 80 (38/116) ======================= q-point: ( 0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 5.227 18.648 11.610) 22.580 1.354 ( 3.756 22.169 8.500) 24.038 1.971 ( 1.776 -0.372 4.746) 5.082 2.122 ( 2.199 11.418 3.431) 12.123 2.148 ( -0.788 3.771 -5.376) 6.614 2.282 ( 0.373 -1.322 -2.151) 2.553 2.414 ( 2.784 5.112 5.543) 8.038 2.495 ( 0.935 -3.667 1.023) 3.920 2.612 ( -2.234 -6.105 -4.559) 7.941 2.697 ( -3.696 3.313 0.664) 5.008 2.790 ( 0.058 4.176 -2.801) 5.029 2.907 ( 0.388 -3.390 -2.105) 4.009 3.070 ( 1.804 -0.038 1.849) 2.584 3.137 ( 0.393 1.460 3.721) 4.017 3.246 ( -2.564 -3.146 -1.860) 4.464 3.414 ( -5.878 0.992 3.971) 7.163 3.463 ( -7.037 1.174 -1.145) 7.226 3.554 ( 1.790 0.921 1.104) 2.296 3.735 ( -0.072 -0.498 -2.374) 2.427 3.865 ( 2.233 5.501 1.315) 6.081 4.124 ( 2.510 -6.075 2.001) 6.871 4.207 ( 4.505 -8.304 -3.574) 10.101 4.368 ( -1.299 -1.227 -0.877) 1.990 4.677 ( -0.818 -10.312 -2.162) 10.568 6.086 ( -0.405 4.694 7.746) 9.067 6.489 ( -0.668 -5.970 2.526) 6.517 6.514 ( 1.920 4.240 0.555) 4.687 6.702 ( -0.076 2.215 5.589) 6.012 6.800 ( 1.517 -0.834 6.213) 6.449 6.944 ( 0.342 -0.851 3.349) 3.473 6.977 ( -2.963 2.932 1.860) 4.564 7.111 ( 2.407 0.163 -0.223) 2.423 7.290 ( 1.997 0.793 -1.206) 2.464 7.368 ( -0.655 5.551 -1.512) 5.790 7.394 ( 1.389 -0.639 1.038) 1.848 7.590 ( -4.810 7.103 -5.999) 10.468 7.776 ( 1.560 7.151 -2.602) 7.768 8.055 ( -7.501 -3.380 -4.552) 9.403 8.081 ( -5.322 0.479 -1.089) 5.454 8.232 ( -0.144 -4.712 3.640) 5.956 8.329 ( 1.457 -2.982 -1.612) 3.689 8.425 ( -1.605 -3.795 -2.673) 4.911 8.723 ( 1.915 -1.032 1.911) 2.895 8.750 ( 2.685 -2.801 0.471) 3.908 8.924 ( -2.628 1.457 -0.956) 3.153 9.052 ( 1.548 -2.115 1.157) 2.864 9.354 ( -0.866 2.949 -3.627) 4.754 9.386 ( 0.805 1.333 -6.519) 6.703 ======================= Grid point 81 (39/116) ======================= q-point: ( 0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 6.332 14.617 7.354) 17.545 1.537 ( 9.463 14.690 8.379) 19.379 2.011 ( 0.377 1.046 3.924) 4.078 2.090 ( -1.828 4.518 -4.255) 6.470 2.146 ( -1.988 0.049 1.228) 2.337 2.268 ( -1.678 -0.333 -2.429) 2.971 2.480 ( -1.362 -2.523 -2.616) 3.881 2.511 ( 1.381 3.925 0.110) 4.162 2.542 ( -2.330 -12.171 3.332) 12.832 2.620 ( -3.400 6.161 0.603) 7.062 2.824 ( 3.116 5.760 0.457) 6.564 2.902 ( -0.134 -2.897 -1.382) 3.212 3.013 ( -5.301 -2.076 2.827) 6.356 3.161 ( -3.119 -4.838 -5.706) 8.106 3.227 ( -1.089 3.044 5.251) 6.166 3.310 ( 0.108 2.359 4.267) 4.877 3.402 ( 0.740 -0.086 0.635) 0.979 3.617 ( 4.058 2.461 0.312) 4.756 3.731 ( 1.137 -2.467 -5.188) 5.856 3.896 ( 0.186 7.873 2.322) 8.210 4.155 ( 1.499 -6.109 -0.217) 6.294 4.266 ( -2.372 -0.391 -0.807) 2.536 4.358 ( 2.852 -1.978 -1.679) 3.855 4.645 ( -1.547 -7.446 -2.224) 7.923 6.096 ( -0.273 4.316 6.285) 7.629 6.430 ( -4.087 -0.250 0.913) 4.196 6.577 ( 2.573 2.442 2.856) 4.554 6.732 ( 1.383 3.188 5.709) 6.683 6.844 ( 0.996 -0.712 7.407) 7.507 6.912 ( -2.787 4.758 4.443) 7.081 6.964 ( -0.054 -1.620 -0.428) 1.676 7.126 ( -0.590 -1.268 -0.909) 1.668 7.288 ( -3.811 0.541 -2.610) 4.651 7.364 ( 3.187 1.628 -2.215) 4.209 7.425 ( 0.488 1.114 1.056) 1.611 7.557 ( 2.719 9.397 -2.364) 10.065 7.799 ( 0.266 4.072 -1.036) 4.210 7.892 ( -5.589 0.057 -4.457) 7.149 7.989 ( -3.672 -0.045 -0.357) 3.690 8.207 ( -3.519 -3.186 1.894) 5.111 8.311 ( -2.025 -3.163 -0.269) 3.765 8.459 ( 4.484 -7.407 -1.995) 8.885 8.751 ( 0.137 -1.111 -0.198) 1.137 8.788 ( 1.259 -2.573 -0.436) 2.898 8.864 ( -2.822 1.809 1.479) 3.664 9.066 ( -0.493 -3.393 0.680) 3.495 9.349 ( 0.987 2.023 -2.716) 3.527 9.379 ( 0.283 0.427 -6.739) 6.759 ======================= Grid point 82 (40/116) ======================= q-point: ( 0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 12.181 4.901 4.161) 13.773 1.714 ( 5.966 9.654 4.639) 12.260 1.959 ( -4.985 5.597 -0.582) 7.518 2.080 ( -4.582 -2.062 1.603) 5.274 2.090 ( 0.457 2.287 1.142) 2.597 2.184 ( -5.549 -0.430 -1.183) 5.690 2.407 ( -1.865 -3.383 -3.930) 5.511 2.479 ( -2.447 1.453 -1.666) 3.297 2.560 ( -3.236 -0.645 -0.946) 3.433 2.592 ( 3.017 -7.306 5.396) 9.570 2.790 ( -5.497 -2.822 0.826) 6.234 2.908 ( -2.057 1.481 1.900) 3.167 2.969 ( -0.169 1.503 0.547) 1.608 3.095 ( -0.871 -3.608 -0.617) 3.762 3.204 ( 1.583 -1.662 0.137) 2.300 3.382 ( 3.142 0.984 -1.364) 3.564 3.488 ( 6.500 3.030 3.872) 8.150 3.665 ( 0.211 -1.388 -1.643) 2.161 3.802 ( 7.631 4.300 -1.341) 8.862 3.884 ( -1.867 8.356 2.308) 8.867 4.127 ( -8.130 6.889 -0.803) 10.686 4.207 ( 1.276 -3.423 0.737) 3.727 4.403 ( 0.969 -5.216 -1.339) 5.472 4.621 ( -0.049 -4.004 -2.692) 4.825 6.108 ( -0.251 3.814 5.800) 6.946 6.363 ( -2.644 1.909 1.743) 3.697 6.617 ( 0.748 3.408 2.579) 4.339 6.769 ( 0.603 5.146 3.782) 6.415 6.854 ( -2.891 4.312 8.705) 10.135 6.890 ( 0.266 -2.267 1.095) 2.532 6.952 ( -0.939 -1.650 -1.265) 2.281 7.108 ( -0.401 -1.825 -1.027) 2.132 7.223 ( -1.561 4.042 0.349) 4.347 7.360 ( -1.272 1.942 -3.667) 4.341 7.486 ( 3.452 -0.948 0.010) 3.580 7.607 ( 1.254 6.601 -1.745) 6.942 7.732 ( -2.328 2.931 -2.198) 4.340 7.881 ( 0.807 -2.082 -0.501) 2.288 7.946 ( -0.620 -2.767 1.218) 3.086 8.148 ( -1.453 0.813 0.446) 1.723 8.266 ( -3.239 -2.132 1.754) 4.256 8.538 ( 3.881 -7.298 -2.726) 8.704 8.722 ( -1.510 1.313 -1.981) 2.816 8.804 ( 0.463 -0.779 0.044) 0.907 8.838 ( -1.206 -1.174 3.786) 4.143 9.045 ( -1.115 -5.168 -1.266) 5.437 9.364 ( 0.092 -0.050 -6.173) 6.173 9.369 ( 1.406 0.977 -2.461) 2.998 ======================= Grid point 83 (41/116) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -4.847 6.367 0.464) 8.016 1.840 ( 2.466 3.042 0.538) 3.953 1.883 ( -1.291 4.827 0.600) 5.032 1.961 ( -7.206 -5.478 5.060) 10.370 2.045 ( 2.544 2.791 -1.015) 3.910 2.188 ( 3.297 -0.378 1.851) 3.800 2.386 ( -0.472 -6.270 -2.436) 6.743 2.443 ( -1.334 0.985 -2.023) 2.616 2.508 ( 0.405 3.240 -3.009) 4.440 2.634 ( -0.007 -5.065 2.709) 5.744 2.739 ( 1.424 -4.999 2.374) 5.714 2.853 ( -3.636 2.022 1.218) 4.335 2.964 ( 0.474 -0.734 -1.564) 1.792 3.077 ( -1.534 1.173 4.272) 4.688 3.271 ( 3.282 -6.780 -2.546) 7.951 3.431 ( 2.047 0.439 -1.356) 2.494 3.615 ( 2.871 3.600 0.632) 4.648 3.659 ( 2.070 -3.541 1.474) 4.359 3.823 ( -4.011 9.316 2.126) 10.364 3.914 ( -8.038 8.455 2.693) 11.973 4.010 ( 7.915 10.090 -2.086) 12.993 4.226 ( -0.466 -2.567 -0.207) 2.617 4.410 ( 0.912 -6.479 -0.137) 6.545 4.622 ( 0.528 -2.835 -2.764) 3.994 6.109 ( -1.355 4.411 6.030) 7.593 6.350 ( 0.888 2.941 2.657) 4.062 6.617 ( -1.316 3.318 1.590) 3.908 6.744 ( -3.870 8.278 -0.030) 9.138 6.823 ( -1.598 1.144 6.683) 6.966 6.894 ( -1.036 -4.085 1.754) 4.565 6.924 ( -1.052 -2.277 -1.699) 3.030 7.108 ( 0.438 -1.500 -0.858) 1.783 7.247 ( 3.094 3.611 4.352) 6.446 7.340 ( 0.806 3.474 -3.784) 5.199 7.516 ( 0.388 -1.535 -3.728) 4.050 7.575 ( -2.090 5.071 -1.501) 5.686 7.761 ( 3.331 2.643 -2.902) 5.148 7.847 ( -3.350 2.422 3.867) 5.661 7.974 ( 2.149 -8.865 2.691) 9.510 8.162 ( 1.330 3.431 -2.757) 4.598 8.206 ( -1.511 -1.172 3.401) 3.902 8.595 ( 2.656 -7.181 -3.472) 8.408 8.721 ( 1.808 1.969 -0.200) 2.681 8.795 ( -2.314 -0.616 1.765) 2.975 8.813 ( -1.715 -1.551 1.736) 2.891 9.027 ( -0.285 -5.619 -2.391) 6.113 9.347 ( -0.102 0.536 -5.084) 5.114 9.394 ( 1.782 -0.184 -2.912) 3.419 ======================= Grid point 84 (42/116) ======================= q-point: (-0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -14.082 7.034 0.522) 15.749 1.685 ( -13.261 8.362 5.778) 16.708 1.860 ( 1.007 2.192 -0.991) 2.608 1.995 ( 5.271 -1.372 -0.609) 5.480 2.151 ( 3.291 2.100 2.035) 4.402 2.261 ( 3.497 -3.485 -0.757) 4.995 2.353 ( -1.473 -6.803 -2.520) 7.403 2.430 ( 1.147 -1.691 -2.947) 3.586 2.591 ( 7.436 4.547 -1.191) 8.797 2.659 ( 1.467 -3.481 1.766) 4.170 2.783 ( -2.415 5.658 1.499) 6.332 2.809 ( 3.876 -6.021 1.079) 7.241 2.985 ( 2.333 -2.005 -2.685) 4.083 3.063 ( -0.956 4.282 5.028) 6.673 3.284 ( -1.534 -4.323 -3.226) 5.607 3.420 ( -4.650 3.619 0.851) 5.954 3.560 ( -4.366 0.579 6.917) 8.201 3.735 ( -1.101 0.165 0.469) 1.208 3.768 ( -2.269 4.775 -1.415) 5.473 3.810 ( 3.089 6.621 0.731) 7.342 4.165 ( 1.727 2.613 -1.218) 3.360 4.198 ( 2.596 0.776 -0.520) 2.759 4.439 ( 1.165 -6.801 1.266) 7.016 4.621 ( 0.191 -3.728 -2.796) 4.664 6.087 ( -2.298 5.670 6.489) 8.919 6.404 ( 3.392 3.012 3.313) 5.617 6.575 ( -2.920 2.052 0.112) 3.571 6.655 ( -4.370 7.636 -1.696) 8.960 6.810 ( -1.913 0.905 7.121) 7.429 6.855 ( -2.322 -3.844 -0.583) 4.529 6.911 ( -0.306 -2.259 -1.141) 2.549 7.122 ( 1.155 -3.103 -0.099) 3.312 7.318 ( 2.765 1.662 -1.479) 3.549 7.389 ( 3.498 5.315 2.700) 6.912 7.491 ( -1.660 0.586 -0.939) 1.995 7.566 ( 1.932 2.900 -3.227) 4.749 7.732 ( -3.913 7.799 -3.336) 9.341 7.867 ( 3.394 -0.296 4.095) 5.327 8.023 ( 2.451 -3.720 3.233) 5.504 8.165 ( 1.348 -1.325 0.520) 1.961 8.264 ( 4.716 -0.322 0.557) 4.760 8.621 ( 1.299 -7.229 -4.100) 8.412 8.716 ( -5.399 -2.570 2.913) 6.651 8.754 ( -1.210 0.038 -1.267) 1.753 8.811 ( 2.456 1.407 0.758) 2.930 9.017 ( -0.187 -3.957 -2.845) 4.877 9.337 ( 0.318 1.428 -3.764) 4.038 9.422 ( 1.883 -0.820 -3.318) 3.902 ======================= Grid point 85 (43/116) ======================= q-point: (-0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -11.177 14.437 2.910) 18.489 1.453 ( -11.884 14.100 7.499) 19.907 1.871 ( 0.312 1.957 0.402) 2.022 2.121 ( 5.789 0.283 -0.923) 5.869 2.181 ( 0.850 2.717 -0.254) 2.858 2.295 ( 1.237 -4.500 -1.424) 4.879 2.343 ( 0.593 -4.253 -1.588) 4.579 2.458 ( 2.325 -3.983 -3.947) 6.071 2.619 ( -5.386 8.070 4.342) 10.629 2.735 ( 6.713 3.397 -1.086) 7.602 2.798 ( 2.750 -1.620 -1.200) 3.410 2.875 ( 1.232 -1.170 0.579) 1.795 2.990 ( -2.781 -0.982 -1.572) 3.342 3.144 ( 9.015 4.483 2.738) 10.434 3.191 ( -5.274 4.781 2.174) 7.443 3.319 ( -3.344 -0.973 0.548) 3.526 3.551 ( 0.486 -2.728 5.967) 6.579 3.662 ( -4.331 4.294 1.819) 6.365 3.772 ( 1.491 1.655 -2.980) 3.720 3.871 ( 0.676 -1.138 -0.544) 1.431 4.105 ( -3.233 -4.850 -0.857) 5.891 4.291 ( 3.291 2.732 -2.236) 4.826 4.430 ( -2.862 -7.212 2.966) 8.307 4.630 ( 1.720 -6.432 -3.135) 7.359 6.061 ( -1.979 6.058 7.527) 9.863 6.454 ( -0.860 -4.140 0.779) 4.300 6.553 ( 1.729 5.600 1.989) 6.189 6.583 ( -1.211 8.983 -1.794) 9.240 6.778 ( -3.082 1.253 7.603) 8.299 6.818 ( -1.014 -2.583 -2.217) 3.551 6.907 ( 0.200 -2.435 -0.017) 2.443 7.144 ( 0.845 -3.989 -0.651) 4.129 7.341 ( 0.142 2.825 -3.673) 4.636 7.426 ( 0.213 -0.146 3.074) 3.085 7.463 ( -2.836 6.959 1.829) 7.734 7.615 ( 3.426 2.975 -3.733) 5.876 7.692 ( 1.574 5.883 -2.416) 6.552 7.963 ( 5.335 0.584 4.208) 6.820 8.102 ( 4.573 -0.926 2.517) 5.302 8.209 ( 2.459 -3.862 1.983) 4.990 8.360 ( 4.611 -0.687 -0.810) 4.732 8.599 ( -6.718 -3.042 2.516) 7.792 8.634 ( 0.876 -4.878 -4.336) 6.585 8.697 ( -3.312 -0.930 -1.474) 3.742 8.872 ( 2.862 1.371 -0.424) 3.201 9.007 ( 0.073 -2.378 -2.809) 3.681 9.342 ( 1.016 2.479 -2.986) 4.012 9.445 ( 1.176 -0.908 -3.641) 3.932 ======================= Grid point 86 (44/116) ======================= q-point: (-0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -1.095 21.964 6.991) 23.076 1.285 ( -6.566 20.114 8.477) 22.794 1.883 ( 0.749 2.161 3.013) 3.783 2.144 ( -2.274 9.683 2.166) 10.180 2.201 ( 0.455 0.066 -3.918) 3.945 2.306 ( -1.029 -0.171 -2.508) 2.716 2.362 ( 0.923 -0.544 4.105) 4.242 2.482 ( 0.168 -6.238 -0.083) 6.241 2.561 ( 1.110 6.363 -1.202) 6.570 2.818 ( -0.739 -0.248 -0.446) 0.898 2.837 ( -0.202 1.965 -4.951) 5.331 2.851 ( 1.367 0.347 1.344) 1.948 2.951 ( 0.984 2.046 -1.646) 2.805 3.134 ( -0.790 1.505 2.366) 2.914 3.294 ( 0.567 -2.536 -0.966) 2.773 3.367 ( 9.648 3.142 4.952) 11.290 3.574 ( -1.819 2.182 2.663) 3.894 3.601 ( -0.400 -0.363 2.999) 3.047 3.774 ( -1.585 1.108 -1.831) 2.663 3.834 ( -2.057 -0.086 -2.539) 3.269 4.059 ( -1.587 -5.931 0.595) 6.168 4.281 ( -3.966 -8.097 -1.274) 9.106 4.387 ( -0.832 -2.490 1.167) 2.873 4.662 ( 1.997 -9.746 -2.830) 10.343 6.055 ( -0.788 5.334 8.879) 10.389 6.424 ( -0.982 -5.815 1.367) 6.054 6.530 ( -1.015 4.598 -2.112) 5.161 6.675 ( 4.551 5.832 4.211) 8.512 6.748 ( -1.201 0.696 6.117) 6.272 6.812 ( 2.037 1.766 -2.469) 3.656 6.921 ( 1.139 -2.365 1.324) 2.940 7.142 ( -0.928 -2.475 -0.387) 2.672 7.314 ( -1.868 2.061 -1.233) 3.043 7.391 ( -3.628 8.528 -0.309) 9.273 7.435 ( -0.243 -1.036 1.854) 2.138 7.666 ( 2.545 3.121 -3.125) 5.097 7.742 ( 2.969 4.973 -3.003) 6.524 8.067 ( 3.451 -0.889 1.528) 3.877 8.184 ( 3.040 -2.869 -0.360) 4.195 8.263 ( 1.642 -5.116 3.847) 6.608 8.404 ( -1.481 0.534 -1.322) 2.056 8.491 ( -3.373 -1.719 1.063) 3.932 8.626 ( 0.498 -1.508 -1.744) 2.359 8.666 ( 0.464 -1.773 -1.060) 2.117 8.918 ( 2.304 0.911 -1.518) 2.906 9.007 ( 0.507 -1.615 -2.192) 2.769 9.359 ( 1.548 3.054 -3.509) 4.903 9.441 ( -0.693 -0.107 -4.278) 4.336 ======================= Grid point 87 (45/116) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 1.769 16.622 8.346) 18.683 1.751 ( 3.264 19.169 2.289) 19.579 1.859 ( 0.969 -4.655 6.629) 8.158 2.146 ( 1.163 -12.620 0.161) 12.674 2.219 ( 0.396 2.559 -4.872) 5.517 2.261 ( -0.307 -1.004 -1.335) 1.698 2.308 ( 0.875 -2.940 0.732) 3.154 2.346 ( 0.521 -7.075 -3.092) 7.739 2.746 ( -0.964 8.065 -1.074) 8.194 2.823 ( 0.538 -1.467 -4.660) 4.915 2.859 ( -0.221 4.499 -4.253) 6.195 2.903 ( -0.733 1.382 -2.225) 2.720 3.074 ( 0.179 2.352 -0.516) 2.414 3.148 ( -0.178 -3.166 -2.667) 4.144 3.336 ( -0.157 16.678 6.159) 17.780 3.528 ( -2.144 1.929 0.689) 2.965 3.562 ( -2.849 0.409 0.176) 2.884 3.637 ( -0.211 -0.458 0.820) 0.962 3.756 ( -1.765 -0.565 1.938) 2.681 3.830 ( 1.547 -5.222 1.512) 5.653 3.912 ( 0.120 -6.876 4.676) 8.316 3.950 ( 1.501 -6.620 2.771) 7.331 4.372 ( -0.601 1.929 0.020) 2.020 4.475 ( -0.159 -8.403 0.053) 8.404 6.181 ( 0.098 6.107 6.815) 9.152 6.310 ( 1.009 -6.794 4.889) 8.430 6.598 ( 0.235 4.391 -0.886) 4.485 6.679 ( 1.029 -3.428 0.618) 3.632 6.779 ( -0.714 2.656 7.861) 8.329 6.843 ( 0.390 -3.630 5.819) 6.869 7.058 ( 3.355 3.866 -0.616) 5.155 7.103 ( 0.194 -0.659 0.751) 1.017 7.312 ( -1.385 1.769 -1.177) 2.537 7.358 ( -1.709 -2.736 -0.482) 3.261 7.555 ( -0.203 9.811 -1.636) 9.949 7.695 ( 0.541 -3.175 -2.779) 4.254 7.912 ( 1.569 7.538 -3.588) 8.494 8.043 ( 0.387 -3.464 -0.094) 3.487 8.098 ( -2.700 -2.767 -2.019) 4.361 8.151 ( -3.493 -5.097 -0.387) 6.191 8.374 ( -2.403 2.412 -1.651) 3.784 8.421 ( -1.594 -2.306 -2.085) 3.493 8.662 ( 2.672 -0.369 1.333) 3.009 8.667 ( 1.791 -0.646 1.344) 2.331 8.968 ( 0.857 1.064 -1.336) 1.911 8.991 ( 1.086 -1.188 -0.908) 1.848 9.413 ( 0.482 0.928 -4.532) 4.651 9.419 ( -0.594 0.312 -4.107) 4.161 ======================= Grid point 88 (46/116) ======================= q-point: ( 0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 4.897 15.919 8.565) 18.728 1.791 ( -0.434 20.304 4.524) 20.807 1.917 ( 3.226 -6.062 7.000) 9.805 2.130 ( -2.778 -10.104 1.275) 10.556 2.206 ( -0.280 3.443 -5.196) 6.240 2.262 ( 0.471 -0.906 -0.646) 1.208 2.315 ( -0.228 -4.923 1.265) 5.088 2.343 ( -0.183 -8.845 -2.711) 9.253 2.718 ( -2.145 7.997 -3.745) 9.087 2.806 ( -0.959 0.830 -3.171) 3.415 2.856 ( 1.073 1.758 -5.896) 6.245 2.874 ( -0.786 1.353 -2.575) 3.013 3.048 ( -2.937 0.009 0.942) 3.085 3.121 ( -2.348 -5.569 -3.186) 6.832 3.369 ( 1.792 14.316 2.992) 14.735 3.453 ( -5.438 4.407 4.734) 8.450 3.463 ( -7.629 -1.093 0.390) 7.717 3.625 ( 2.841 3.069 -1.510) 4.446 3.677 ( -3.584 -2.495 0.829) 4.445 3.884 ( 4.010 -13.242 2.965) 14.151 3.992 ( 4.049 3.375 4.374) 6.850 4.083 ( 7.302 -4.709 2.567) 9.060 4.374 ( 0.767 2.390 -0.627) 2.587 4.479 ( 0.635 -8.218 -0.522) 8.259 6.201 ( -0.001 6.600 6.226) 9.073 6.344 ( 0.575 -7.566 4.448) 8.795 6.620 ( 2.059 5.680 0.906) 6.109 6.719 ( 2.624 -3.058 1.654) 4.356 6.791 ( -0.156 2.560 8.031) 8.430 6.871 ( 1.051 -4.560 5.448) 7.182 7.063 ( -2.225 3.924 2.031) 4.947 7.112 ( 0.096 -0.843 0.170) 0.865 7.295 ( -0.229 1.204 -1.474) 1.917 7.341 ( -0.048 -2.722 0.011) 2.723 7.559 ( 0.583 9.338 -2.993) 9.824 7.680 ( -0.946 -0.670 -5.064) 5.195 7.906 ( -0.501 6.235 -1.352) 6.400 7.998 ( -5.238 -0.347 -2.838) 5.967 8.048 ( -1.178 -2.976 0.279) 3.212 8.118 ( 0.074 -6.525 1.832) 6.778 8.316 ( -2.454 1.246 -4.312) 5.116 8.358 ( -3.659 -2.747 -4.512) 6.426 8.706 ( 1.662 -0.463 1.881) 2.553 8.711 ( 1.882 -1.053 1.416) 2.580 8.962 ( -1.261 2.211 -0.351) 2.570 9.008 ( 0.293 -2.320 0.489) 2.389 9.393 ( -0.674 1.110 -4.301) 4.493 9.402 ( -0.216 0.208 -5.161) 5.169 ======================= Grid point 89 (47/116) ======================= q-point: ( 0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -0.944 16.861 5.641) 17.805 1.830 ( 4.831 12.849 4.982) 14.603 2.000 ( 2.854 -3.172 5.070) 6.627 2.062 ( -4.154 -10.440 4.039) 11.940 2.182 ( -1.015 4.773 -4.819) 6.858 2.255 ( -1.487 -0.598 -0.774) 1.780 2.307 ( -1.122 -6.877 -0.237) 6.972 2.333 ( 0.383 -8.087 0.259) 8.100 2.643 ( -3.691 7.138 -4.665) 9.292 2.742 ( -4.456 0.394 -0.833) 4.550 2.843 ( -1.960 2.358 -6.089) 6.818 2.908 ( 4.412 0.105 -5.203) 6.822 2.981 ( -3.056 -0.955 1.340) 3.471 3.028 ( -6.250 -6.550 -3.248) 9.619 3.314 ( -5.833 2.949 4.671) 8.034 3.355 ( -1.670 -0.697 0.469) 1.870 3.469 ( 3.404 8.646 4.324) 10.249 3.626 ( -0.770 -5.793 -2.036) 6.188 3.754 ( 8.461 9.528 0.552) 12.755 3.983 ( 5.132 -10.959 2.370) 12.331 4.053 ( 1.192 7.433 3.496) 8.300 4.190 ( 2.718 -5.977 1.483) 6.731 4.388 ( 0.383 3.852 -0.252) 3.880 4.495 ( 1.089 -6.854 -1.009) 7.013 6.209 ( -0.536 6.585 4.736) 8.129 6.345 ( -1.191 -6.571 2.615) 7.171 6.670 ( 1.981 5.756 2.794) 6.698 6.776 ( 1.994 -4.113 2.775) 5.347 6.814 ( 0.872 4.086 6.931) 8.093 6.907 ( 1.109 -4.167 3.702) 5.683 7.027 ( -1.914 4.889 3.998) 6.599 7.096 ( -1.431 -2.128 0.510) 2.614 7.284 ( -0.738 1.574 -1.068) 2.040 7.347 ( 0.648 -3.251 -0.722) 3.393 7.539 ( -1.346 7.894 -3.360) 8.684 7.665 ( 0.843 -2.218 -3.928) 4.589 7.873 ( -4.071 2.991 -1.904) 5.398 7.891 ( -5.438 2.202 -1.882) 6.161 8.015 ( -0.388 3.629 1.161) 3.830 8.141 ( 0.799 -5.070 1.849) 5.455 8.271 ( -1.630 -0.793 -2.924) 3.441 8.307 ( 1.278 -5.824 -3.514) 6.921 8.734 ( 0.804 -0.310 0.513) 1.003 8.744 ( 1.376 -1.374 0.327) 1.972 8.921 ( -2.823 3.471 0.511) 4.504 8.994 ( -1.916 -3.736 0.587) 4.240 9.376 ( 0.043 0.787 -4.086) 4.161 9.383 ( -0.118 -0.022 -5.409) 5.410 ======================= Grid point 90 (48/116) ======================= q-point: ( 0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 2.130 8.657 3.375) 9.532 1.884 ( -1.132 3.099 0.023) 3.299 2.014 ( -0.928 -1.781 6.126) 6.447 2.046 ( -0.587 0.590 1.392) 1.622 2.136 ( -2.780 3.673 -2.794) 5.388 2.200 ( -2.440 1.096 -2.336) 3.551 2.285 ( -0.858 -4.994 -0.427) 5.085 2.357 ( 0.852 -9.016 4.245) 10.001 2.575 ( -1.693 5.953 -3.069) 6.908 2.666 ( -2.493 0.256 -1.145) 2.755 2.743 ( -5.507 3.154 -4.330) 7.683 2.903 ( -4.280 -7.620 -4.117) 9.661 2.949 ( 0.169 1.081 -1.643) 1.974 2.989 ( 3.406 -3.104 -2.295) 5.148 3.258 ( -1.795 5.085 6.101) 8.143 3.357 ( 1.041 -3.841 1.186) 4.152 3.549 ( 3.758 3.478 1.815) 5.433 3.619 ( 0.405 -3.128 -1.300) 3.411 3.932 ( 8.645 8.012 1.246) 11.853 4.050 ( -1.098 5.355 2.071) 5.846 4.096 ( 4.510 -3.757 1.582) 6.079 4.200 ( -1.285 -4.248 -0.061) 4.438 4.376 ( -1.675 5.377 0.935) 5.709 4.513 ( 0.923 -6.649 -0.976) 6.783 6.210 ( -0.360 6.001 4.084) 7.268 6.326 ( -0.996 -4.851 2.292) 5.457 6.699 ( 0.255 4.844 3.190) 5.806 6.796 ( -0.471 -4.492 4.827) 6.611 6.856 ( 1.151 3.611 2.530) 4.557 6.919 ( -0.649 -2.139 1.454) 2.667 6.999 ( -2.787 6.014 3.839) 7.660 7.076 ( -0.634 -2.042 1.031) 2.374 7.271 ( 0.001 2.625 0.416) 2.658 7.357 ( 1.188 -4.041 -3.682) 5.594 7.519 ( -0.304 6.567 -0.595) 6.601 7.686 ( 1.674 -7.555 -0.231) 7.742 7.752 ( -6.023 2.277 -2.989) 7.099 7.791 ( -2.884 0.690 -2.135) 3.654 8.034 ( 0.436 8.163 2.244) 8.477 8.158 ( 0.849 -1.773 1.849) 2.699 8.246 ( -0.443 1.360 -1.934) 2.405 8.361 ( 3.600 -9.385 -2.404) 10.335 8.744 ( 0.479 0.981 -0.499) 1.201 8.770 ( 1.149 -1.740 0.327) 2.110 8.865 ( -2.776 3.104 1.193) 4.332 8.945 ( -2.600 -4.678 -0.489) 5.374 9.367 ( 0.154 0.416 -5.081) 5.101 9.376 ( 0.622 -0.231 -4.146) 4.199 ======================= Grid point 91 (49/116) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -2.661 1.258 2.147) 3.643 1.853 ( 1.521 -0.913 0.214) 1.786 1.967 ( -4.395 3.359 -0.332) 5.541 1.983 ( -5.810 3.000 -0.495) 6.558 2.101 ( 2.016 3.830 -0.587) 4.368 2.200 ( 1.804 -1.144 -1.434) 2.573 2.263 ( -1.721 -2.185 1.523) 3.171 2.362 ( -1.138 -7.478 1.324) 7.679 2.578 ( 2.437 3.623 -1.265) 4.546 2.651 ( 0.937 -3.791 -0.140) 3.907 2.670 ( 0.350 7.945 -4.164) 8.977 2.849 ( -0.495 -7.289 -3.758) 8.216 2.948 ( 0.233 3.576 -1.633) 3.938 3.043 ( 2.720 -5.183 -2.032) 6.196 3.252 ( -0.838 5.486 5.925) 8.118 3.381 ( 0.562 -5.656 2.890) 6.377 3.617 ( 1.793 0.129 1.568) 2.385 3.634 ( 1.700 -0.639 -0.284) 1.838 3.998 ( -3.990 6.918 0.486) 8.001 4.037 ( -1.250 4.047 1.965) 4.669 4.157 ( 1.852 -0.886 1.070) 2.315 4.206 ( 2.954 -1.315 -0.768) 3.323 4.344 ( -1.150 6.087 2.040) 6.521 4.519 ( -0.078 -7.619 -0.957) 7.680 6.216 ( -0.252 6.039 4.509) 7.541 6.329 ( 0.630 -4.445 3.149) 5.483 6.697 ( -1.212 4.841 2.325) 5.506 6.793 ( -1.160 -4.388 4.791) 6.599 6.854 ( -1.590 1.367 -0.184) 2.105 6.883 ( -3.021 0.080 -3.150) 4.365 6.939 ( -3.158 6.612 4.029) 8.362 7.058 ( -1.845 -4.138 1.236) 4.696 7.302 ( 2.916 3.858 1.124) 4.965 7.400 ( 4.238 -3.271 -3.213) 6.244 7.500 ( -1.340 5.347 -0.753) 5.563 7.631 ( -3.963 -3.247 -2.305) 5.618 7.759 ( 4.030 -0.761 3.143) 5.167 7.802 ( 3.800 -3.003 0.960) 4.937 8.022 ( -2.285 9.726 1.127) 10.054 8.165 ( -1.371 -3.685 0.959) 4.047 8.244 ( 1.486 5.243 -2.249) 5.895 8.406 ( 1.589 -10.476 -2.438) 10.873 8.754 ( -0.202 1.288 0.670) 1.466 8.780 ( -0.779 -1.348 0.552) 1.652 8.829 ( -0.489 3.282 0.575) 3.368 8.916 ( 0.315 -5.187 -1.303) 5.358 9.360 ( 0.521 0.912 -4.950) 5.060 9.382 ( 1.039 -1.028 -3.947) 4.209 ======================= Grid point 92 (50/116) ======================= q-point: (-0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -6.868 9.374 1.543) 11.723 1.843 ( -7.018 4.511 0.394) 8.352 1.905 ( 1.312 -1.584 0.404) 2.096 1.914 ( -0.195 -3.244 -0.894) 3.370 2.187 ( 4.950 -0.284 -0.173) 4.962 2.222 ( -0.043 -4.354 -0.569) 4.392 2.239 ( 0.272 3.191 -0.841) 3.311 2.341 ( -0.557 -6.025 -1.851) 6.327 2.649 ( 4.698 2.271 -0.660) 5.260 2.699 ( 3.933 0.202 0.142) 3.941 2.723 ( 5.084 2.947 -4.598) 7.461 2.853 ( 1.578 -4.330 -3.117) 5.563 2.956 ( 1.274 4.945 -2.361) 5.626 3.092 ( 2.955 -6.007 -1.878) 6.953 3.253 ( -0.416 6.042 5.581) 8.236 3.395 ( 0.274 -6.063 4.087) 7.317 3.602 ( -3.755 3.626 3.657) 6.374 3.673 ( 1.052 -3.427 1.037) 3.731 3.900 ( -5.611 6.141 -0.035) 8.319 3.957 ( -4.657 2.958 -0.542) 5.544 4.146 ( -3.858 2.137 2.787) 5.217 4.256 ( 0.883 -4.541 -0.401) 4.643 4.366 ( 2.131 4.909 2.340) 5.841 4.510 ( -0.422 -7.175 -0.981) 7.254 6.216 ( -1.249 6.949 4.976) 8.638 6.352 ( 0.096 -6.095 3.399) 6.979 6.669 ( -1.669 5.809 0.789) 6.095 6.758 ( -3.507 -1.762 -1.240) 4.116 6.805 ( -2.331 0.899 4.402) 5.061 6.827 ( -1.454 -0.026 -2.609) 2.987 6.911 ( -0.912 4.229 2.801) 5.154 7.032 ( -0.467 -5.763 0.977) 5.863 7.365 ( 2.733 3.577 -0.246) 4.508 7.442 ( -0.850 -2.769 -1.055) 3.082 7.523 ( 4.684 4.542 0.369) 6.535 7.589 ( 0.615 -0.994 -2.693) 2.936 7.857 ( 4.988 1.243 2.778) 5.843 7.917 ( 6.482 -3.891 4.536) 8.816 7.949 ( -4.595 10.119 -0.333) 11.118 8.120 ( -2.476 -4.663 -1.876) 5.603 8.299 ( 4.178 3.493 -0.218) 5.450 8.426 ( 1.580 -9.485 -1.132) 9.682 8.713 ( -3.560 1.037 0.176) 3.712 8.739 ( -2.941 -1.303 -0.703) 3.292 8.864 ( 2.861 3.399 -0.107) 4.444 8.937 ( 1.588 -3.900 -1.461) 4.457 9.365 ( 1.162 1.450 -4.247) 4.636 9.396 ( 1.499 -1.629 -3.812) 4.408 ======================= Grid point 93 (51/116) ======================= q-point: (-0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -3.202 16.491 1.553) 16.870 1.721 ( -5.051 10.766 2.620) 12.177 1.873 ( -2.185 -2.709 1.028) 3.629 1.987 ( 4.933 -12.493 0.864) 13.460 2.214 ( 0.667 1.364 -3.047) 3.405 2.253 ( 0.888 0.462 -0.803) 1.283 2.262 ( 2.219 -1.653 -0.565) 2.824 2.335 ( 0.536 -6.421 -3.228) 7.207 2.731 ( 3.418 2.271 -0.571) 4.143 2.769 ( 2.462 -1.721 -0.088) 3.005 2.824 ( 5.535 4.058 -5.751) 8.954 2.886 ( 2.139 -0.826 -2.750) 3.580 2.993 ( 3.310 5.388 -2.904) 6.958 3.145 ( 2.414 -7.140 -3.122) 8.158 3.292 ( 4.201 8.115 5.944) 10.901 3.415 ( 0.141 0.338 1.709) 1.748 3.507 ( -5.268 5.239 9.304) 11.906 3.674 ( -1.110 -5.920 1.184) 6.139 3.803 ( -3.954 4.277 0.172) 5.827 3.877 ( -3.618 -1.330 -1.725) 4.223 4.058 ( -5.320 2.994 2.825) 6.727 4.210 ( -5.460 -9.458 1.394) 11.010 4.401 ( 0.538 3.699 1.290) 3.954 4.500 ( -0.531 -6.042 -0.452) 6.082 6.193 ( -2.121 6.984 5.186) 8.954 6.334 ( -2.378 -6.854 2.329) 7.619 6.647 ( -1.271 3.714 0.007) 3.925 6.690 ( -1.985 0.070 -1.821) 2.695 6.785 ( -1.413 1.044 6.205) 6.449 6.812 ( -0.176 -1.004 1.777) 2.049 6.919 ( 1.457 5.448 0.971) 5.723 7.047 ( 1.622 -5.835 -0.169) 6.058 7.388 ( -0.375 1.943 -2.040) 2.842 7.418 ( -1.052 -0.870 0.802) 1.583 7.590 ( 1.214 4.400 0.436) 4.585 7.637 ( 3.825 -0.623 -2.900) 4.841 7.854 ( -1.893 10.269 -3.294) 10.949 7.984 ( 4.734 1.281 4.405) 6.592 8.059 ( 6.025 -3.230 5.313) 8.658 8.075 ( -0.529 -7.962 -1.446) 8.109 8.389 ( 4.442 2.442 -0.577) 5.102 8.465 ( 1.698 -5.779 0.321) 6.032 8.636 ( -3.438 1.490 -1.783) 4.150 8.670 ( -3.429 -1.660 -1.408) 4.062 8.912 ( 2.114 2.358 -1.041) 3.333 8.960 ( 1.168 -2.369 -1.901) 3.255 9.383 ( 1.641 1.790 -3.596) 4.340 9.418 ( 1.501 -1.684 -3.613) 4.259 ======================= Grid point 94 (52/116) ======================= q-point: (-0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -1.376 16.865 5.352) 17.747 1.689 ( 1.366 17.795 1.926) 17.951 1.845 ( -1.051 -4.405 4.195) 6.172 2.087 ( 4.568 -14.803 0.118) 15.492 2.220 ( 0.688 2.311 -4.139) 4.790 2.266 ( 0.467 -1.685 -0.851) 1.945 2.286 ( 0.962 -0.394 -0.534) 1.169 2.341 ( 0.827 -6.579 -3.507) 7.501 2.763 ( -0.022 4.779 -0.695) 4.830 2.807 ( 2.019 -1.181 -2.452) 3.389 2.870 ( 0.711 3.532 -4.060) 5.428 2.909 ( 0.947 0.652 -3.326) 3.520 3.050 ( 2.478 5.500 -1.752) 6.282 3.157 ( 0.093 -3.975 -2.868) 4.903 3.347 ( -2.516 15.262 4.307) 16.056 3.465 ( 7.259 6.045 5.571) 10.967 3.543 ( 4.553 -3.618 3.997) 7.056 3.641 ( -2.597 -2.061 1.805) 3.775 3.753 ( -1.199 -1.617 0.771) 2.156 3.810 ( -1.693 -3.669 -1.201) 4.215 3.964 ( -5.019 -0.643 3.289) 6.035 4.068 ( -8.927 -10.078 1.985) 13.609 4.393 ( -1.284 2.382 0.673) 2.789 4.485 ( -0.829 -7.045 0.062) 7.094 6.173 ( -1.178 6.234 5.967) 8.709 6.300 ( -1.205 -6.397 3.172) 7.241 6.613 ( -1.366 3.534 -1.465) 4.063 6.672 ( -0.258 -2.571 0.113) 2.587 6.778 ( -1.194 2.081 7.578) 7.949 6.823 ( 0.280 -2.291 4.696) 5.232 6.977 ( 4.231 6.346 -0.602) 7.650 7.082 ( 1.741 -3.881 -0.332) 4.266 7.354 ( -2.193 1.971 -1.370) 3.251 7.396 ( -1.650 -2.193 -0.048) 2.745 7.579 ( -1.534 8.264 -1.060) 8.472 7.682 ( 1.482 -1.985 -2.085) 3.238 7.865 ( 3.120 7.619 -3.216) 8.839 8.029 ( 0.888 -6.591 -0.763) 6.694 8.111 ( 1.994 0.073 1.684) 2.611 8.168 ( 2.635 -4.040 2.977) 5.668 8.426 ( -1.461 1.071 -1.420) 2.301 8.452 ( -2.088 -1.764 -0.220) 2.742 8.613 ( 1.602 0.508 -0.951) 1.931 8.636 ( 0.721 -1.436 -0.432) 1.663 8.944 ( 1.695 1.553 -1.685) 2.851 8.976 ( 0.985 -1.556 -1.873) 2.627 9.404 ( 1.381 1.632 -3.704) 4.277 9.430 ( 0.578 -0.961 -3.783) 3.946 ======================= Grid point 119 (53/116) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 2.888 0.000 22.202) 22.389 1.143 ( -1.151 0.000 23.634) 23.662 1.844 ( -6.070 0.000 27.416) 28.080 2.054 ( -2.504 0.000 -8.749) 9.100 2.061 ( 2.295 0.000 8.113) 8.431 2.220 ( -0.035 0.000 -1.819) 1.820 2.338 ( 1.633 0.000 0.452) 1.695 2.418 ( -0.274 0.000 -2.749) 2.763 2.687 ( -3.342 0.000 -3.326) 4.715 2.747 ( 5.825 0.000 1.257) 5.959 2.943 ( -0.124 0.000 2.708) 2.710 2.972 ( 2.576 0.000 -1.286) 2.879 3.086 ( 1.078 0.000 -0.914) 1.413 3.196 ( 0.630 0.000 1.053) 1.227 3.228 ( 2.545 0.000 -0.372) 2.572 3.462 ( 1.497 0.000 -0.912) 1.753 3.495 ( -4.959 0.000 -2.803) 5.696 3.605 ( -1.616 0.000 -2.277) 2.792 3.692 ( 1.911 0.000 10.042) 10.223 3.775 ( -2.001 0.000 2.662) 3.330 4.124 ( 0.578 0.000 -3.097) 3.151 4.350 ( 3.822 0.000 -5.183) 6.440 4.369 ( -6.521 0.000 -5.044) 8.245 4.756 ( 2.351 0.000 -12.373) 12.595 6.158 ( -2.682 0.000 4.042) 4.851 6.346 ( 0.839 0.000 -2.008) 2.176 6.648 ( 11.045 0.000 2.899) 11.419 6.736 ( 1.463 0.000 8.855) 8.975 6.750 ( -0.290 0.000 -5.789) 5.796 6.903 ( 3.374 0.000 13.340) 13.760 7.081 ( -4.643 0.000 2.943) 5.497 7.141 ( 1.930 0.000 -1.381) 2.373 7.150 ( -0.916 0.000 3.769) 3.879 7.248 ( 2.599 0.000 -4.171) 4.914 7.344 ( -1.913 0.000 5.846) 6.151 7.420 ( -6.713 0.000 -6.634) 9.438 7.594 ( 0.303 0.000 -3.021) 3.036 8.089 ( -5.027 0.000 -11.725) 12.757 8.153 ( -3.154 0.000 2.323) 3.917 8.507 ( 1.777 0.000 4.756) 5.077 8.511 ( -2.905 0.000 -0.080) 2.907 8.547 ( 1.893 0.000 4.791) 5.152 8.706 ( 0.148 0.000 5.196) 5.198 8.719 ( 3.309 0.000 -3.057) 4.505 8.876 ( -0.350 0.000 -3.315) 3.333 9.053 ( 5.733 0.000 -0.076) 5.733 9.126 ( 0.908 0.000 -2.661) 2.811 9.268 ( -3.981 0.000 -2.591) 4.750 ======================= Grid point 120 (54/116) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 3.391 0.000 19.302) 19.597 1.284 ( 8.906 0.000 19.544) 21.478 1.889 ( 3.090 0.000 12.198) 12.583 1.954 ( -4.867 0.000 -9.027) 10.255 2.122 ( 1.795 0.000 -6.354) 6.603 2.285 ( 6.596 0.000 21.143) 22.148 2.363 ( 0.848 0.000 1.707) 1.906 2.399 ( -0.843 0.000 -3.468) 3.569 2.591 ( -5.383 0.000 -1.595) 5.614 2.849 ( 3.428 0.000 3.831) 5.141 2.933 ( -1.338 0.000 1.158) 1.769 3.052 ( 6.262 0.000 -2.493) 6.740 3.062 ( -3.545 0.000 0.146) 3.548 3.237 ( 2.833 0.000 -0.784) 2.939 3.308 ( 5.151 0.000 0.622) 5.188 3.350 ( -7.940 0.000 0.541) 7.958 3.466 ( -1.770 0.000 0.012) 1.770 3.603 ( 1.186 0.000 -3.946) 4.120 3.717 ( -4.302 0.000 2.140) 4.805 3.730 ( -1.301 0.000 10.511) 10.591 4.157 ( 4.667 0.000 -7.319) 8.681 4.242 ( -4.303 0.000 -7.080) 8.285 4.338 ( -4.085 0.000 -3.688) 5.503 4.737 ( -1.059 0.000 -10.132) 10.187 6.139 ( -0.282 0.000 3.849) 3.859 6.366 ( 1.301 0.000 -0.865) 1.562 6.739 ( 0.708 0.000 -6.044) 6.085 6.749 ( -3.195 0.000 7.994) 8.609 6.783 ( 2.827 0.000 -1.314) 3.117 6.916 ( -5.530 0.000 8.436) 10.087 7.119 ( -1.859 0.000 -3.583) 4.037 7.120 ( 4.732 0.000 13.623) 14.421 7.145 ( 2.170 0.000 4.011) 4.560 7.243 ( -7.200 0.000 -5.859) 9.283 7.300 ( 0.679 0.000 -3.343) 3.411 7.396 ( 5.507 0.000 3.497) 6.524 7.637 ( 3.916 0.000 -0.132) 3.918 7.920 ( -7.645 0.000 -12.659) 14.788 8.080 ( -4.772 0.000 7.276) 8.701 8.449 ( -3.446 0.000 -1.267) 3.671 8.502 ( -2.232 0.000 7.889) 8.199 8.615 ( 3.054 0.000 4.092) 5.105 8.744 ( 0.411 0.000 -3.003) 3.031 8.750 ( 1.425 0.000 -4.719) 4.929 8.891 ( 2.498 0.000 -0.917) 2.661 9.135 ( 0.917 0.000 -1.027) 1.377 9.180 ( 5.930 0.000 -0.272) 5.936 9.183 ( -3.036 0.000 -5.301) 6.108 ======================= Grid point 121 (55/116) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 11.412 0.000 11.668) 16.321 1.540 ( 11.857 0.000 12.353) 17.123 1.840 ( -4.223 0.000 -6.947) 8.130 1.968 ( 2.723 0.000 3.247) 4.238 2.102 ( -1.477 0.000 -5.507) 5.702 2.367 ( -1.381 0.000 -1.420) 1.981 2.394 ( 1.730 0.000 1.662) 2.399 2.479 ( -4.264 0.000 0.426) 4.285 2.559 ( 12.545 0.000 20.459) 23.998 2.830 ( -8.327 0.000 -0.222) 8.330 2.906 ( -1.613 0.000 1.186) 2.002 2.998 ( -1.236 0.000 5.196) 5.341 3.191 ( 8.256 0.000 -4.033) 9.188 3.198 ( -4.783 0.000 1.041) 4.895 3.314 ( 2.041 0.000 1.289) 2.414 3.400 ( -4.735 0.000 4.235) 6.352 3.405 ( 3.201 0.000 2.680) 4.174 3.597 ( -0.653 0.000 -4.355) 4.403 3.646 ( -2.479 0.000 -0.835) 2.616 3.697 ( -3.784 0.000 6.909) 7.877 4.172 ( -0.643 0.000 -9.174) 9.197 4.180 ( -10.719 0.000 -2.635) 11.038 4.265 ( 7.645 0.000 -7.945) 11.026 4.673 ( -3.070 0.000 -6.933) 7.583 6.165 ( 1.792 0.000 3.913) 4.303 6.376 ( -1.070 0.000 2.090) 2.348 6.664 ( -5.841 0.000 6.640) 8.843 6.732 ( -6.250 0.000 7.602) 9.841 6.744 ( 1.507 0.000 -6.882) 7.045 6.919 ( 3.520 0.000 -2.023) 4.060 7.080 ( -0.878 0.000 -3.486) 3.595 7.121 ( -3.483 0.000 -2.472) 4.271 7.207 ( 2.228 0.000 11.410) 11.626 7.235 ( 2.792 0.000 5.568) 6.228 7.275 ( -2.266 0.000 -3.134) 3.868 7.540 ( 7.459 0.000 1.662) 7.642 7.637 ( -5.523 0.000 -7.529) 9.338 7.841 ( 4.209 0.000 -4.740) 6.339 8.021 ( -3.540 0.000 10.265) 10.858 8.372 ( -3.956 0.000 -1.014) 4.084 8.466 ( -3.687 0.000 6.371) 7.361 8.668 ( 1.645 0.000 0.901) 1.876 8.703 ( -2.687 0.000 -3.159) 4.147 8.767 ( 1.529 0.000 -3.457) 3.780 8.928 ( 0.373 0.000 3.039) 3.061 9.137 ( -0.253 0.000 -2.983) 2.993 9.151 ( 2.037 0.000 -9.841) 10.050 9.275 ( 3.469 0.000 0.124) 3.471 ======================= Grid point 122 (56/116) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 12.538 0.000 5.784) 13.808 1.739 ( 1.222 0.000 -3.128) 3.359 1.793 ( 4.534 0.000 7.396) 8.676 1.982 ( -2.726 0.000 -1.867) 3.304 2.087 ( 2.827 0.000 1.597) 3.247 2.332 ( -1.628 0.000 -1.962) 2.549 2.406 ( -2.538 0.000 0.441) 2.576 2.434 ( -0.080 0.000 3.576) 3.577 2.645 ( -5.526 0.000 -0.833) 5.588 2.828 ( 5.044 0.000 4.050) 6.469 2.910 ( 5.618 0.000 9.513) 11.048 2.957 ( -5.122 0.000 1.805) 5.431 3.157 ( -2.781 0.000 8.017) 8.485 3.288 ( -2.443 0.000 7.183) 7.587 3.294 ( 1.122 0.000 -4.418) 4.558 3.384 ( 1.001 0.000 0.976) 1.398 3.417 ( -1.912 0.000 5.500) 5.823 3.569 ( -2.666 0.000 -6.610) 7.127 3.644 ( -2.098 0.000 1.293) 2.465 3.651 ( 5.291 0.000 -2.264) 5.755 3.953 ( -10.179 0.000 -0.773) 10.208 4.158 ( 1.068 0.000 -7.906) 7.978 4.395 ( 7.309 0.000 -6.965) 10.096 4.589 ( -3.730 0.000 -5.077) 6.300 6.221 ( 2.651 0.000 4.411) 5.146 6.322 ( -5.141 0.000 6.967) 8.658 6.607 ( -1.389 0.000 1.668) 2.171 6.631 ( -5.851 0.000 8.368) 10.210 6.764 ( 2.438 0.000 -7.672) 8.050 6.983 ( 3.332 0.000 -3.410) 4.767 7.044 ( -1.910 0.000 -3.692) 4.157 7.124 ( 3.640 0.000 1.695) 4.016 7.216 ( -2.319 0.000 -2.787) 3.626 7.231 ( -2.797 0.000 12.882) 13.182 7.298 ( 2.582 0.000 2.149) 3.360 7.495 ( -5.186 0.000 -9.275) 10.627 7.651 ( 2.909 0.000 -2.006) 3.533 7.939 ( 4.947 0.000 -3.273) 5.932 7.993 ( -2.163 0.000 11.118) 11.327 8.305 ( -2.143 0.000 0.051) 2.144 8.392 ( -4.818 0.000 5.596) 7.384 8.654 ( -1.377 0.000 -0.635) 1.516 8.691 ( 0.948 0.000 -1.077) 1.435 8.784 ( 0.686 0.000 -2.422) 2.518 8.935 ( 0.128 0.000 2.581) 2.584 9.110 ( -1.429 0.000 -4.531) 4.751 9.195 ( 4.306 0.000 -8.515) 9.542 9.312 ( 0.419 0.000 -0.795) 0.899 ======================= Grid point 123 (57/116) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -7.691 0.000 1.965) 7.938 1.692 ( -3.471 0.000 0.800) 3.562 1.891 ( 1.185 0.000 4.286) 4.447 1.956 ( 1.208 0.000 3.981) 4.160 2.224 ( 9.373 0.000 -1.047) 9.432 2.299 ( -0.964 0.000 -1.519) 1.799 2.391 ( -1.000 0.000 -2.540) 2.730 2.395 ( 1.798 0.000 3.150) 3.627 2.696 ( 5.762 0.000 5.977) 8.302 2.811 ( -3.188 0.000 -0.078) 3.189 2.839 ( -5.897 0.000 2.357) 6.350 3.028 ( -3.492 0.000 4.276) 5.521 3.069 ( -5.791 0.000 7.060) 9.131 3.286 ( -9.796 0.000 -5.604) 11.286 3.322 ( 5.505 0.000 9.144) 10.674 3.343 ( 3.281 0.000 9.166) 9.736 3.388 ( -0.359 0.000 -0.320) 0.481 3.509 ( -2.715 0.000 -2.935) 3.998 3.632 ( 0.725 0.000 -2.008) 2.135 3.767 ( 3.691 0.000 -3.781) 5.284 3.871 ( 4.366 0.000 -0.734) 4.427 4.159 ( 0.745 0.000 -6.524) 6.566 4.505 ( 5.399 0.000 -4.681) 7.146 4.515 ( -2.038 0.000 -6.127) 6.456 6.240 ( -4.993 0.000 9.754) 10.958 6.281 ( 1.865 0.000 5.301) 5.620 6.531 ( -4.927 0.000 1.830) 5.255 6.614 ( -0.057 0.000 5.284) 5.285 6.796 ( 2.870 0.000 -8.605) 9.071 6.988 ( -2.976 0.000 -3.951) 4.946 7.025 ( 1.694 0.000 -2.642) 3.138 7.179 ( -5.171 0.000 9.154) 10.513 7.194 ( 1.063 0.000 -1.150) 1.566 7.246 ( 7.583 0.000 3.195) 8.228 7.342 ( 1.384 0.000 2.957) 3.265 7.409 ( -1.264 0.000 -7.207) 7.317 7.622 ( -4.487 0.000 -5.401) 7.021 7.989 ( 1.363 0.000 -3.631) 3.878 7.997 ( -0.184 0.000 10.917) 10.919 8.310 ( 2.622 0.000 0.065) 2.623 8.331 ( -3.103 0.000 6.831) 7.503 8.651 ( 1.059 0.000 0.608) 1.221 8.700 ( -0.052 0.000 -0.279) 0.284 8.775 ( -0.668 0.000 -3.710) 3.769 8.955 ( 1.273 0.000 1.419) 1.906 9.062 ( -2.111 0.000 -5.575) 5.961 9.260 ( 4.038 0.000 -5.805) 7.071 9.291 ( -2.030 0.000 -1.875) 2.764 ======================= Grid point 124 (58/116) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -16.164 0.000 3.343) 16.506 1.603 ( -7.061 0.000 5.277) 8.815 1.898 ( 1.057 0.000 -1.194) 1.594 1.985 ( 0.051 0.000 6.423) 6.423 2.284 ( -0.335 0.000 -1.733) 1.765 2.306 ( 0.690 0.000 -5.469) 5.513 2.422 ( 3.566 0.000 -0.773) 3.649 2.513 ( 1.209 0.000 12.319) 12.379 2.642 ( -7.497 0.000 2.273) 7.834 2.710 ( -4.773 0.000 3.118) 5.701 2.888 ( -7.191 0.000 4.476) 8.470 2.921 ( 6.004 0.000 9.785) 11.480 3.035 ( 3.212 0.000 1.181) 3.422 3.094 ( -6.888 0.000 -4.020) 7.975 3.342 ( -2.808 0.000 2.819) 3.979 3.406 ( -4.854 0.000 -0.079) 4.854 3.447 ( 3.479 0.000 4.622) 5.785 3.546 ( 10.333 0.000 0.898) 10.372 3.649 ( 1.309 0.000 -2.460) 2.786 3.793 ( 2.156 0.000 -5.676) 6.072 4.008 ( 6.135 0.000 -0.870) 6.197 4.151 ( 0.028 0.000 -5.021) 5.021 4.498 ( 3.124 0.000 -10.321) 10.784 4.574 ( 2.381 0.000 -2.987) 3.820 6.192 ( -2.468 0.000 12.261) 12.507 6.309 ( -0.657 0.000 5.873) 5.909 6.447 ( -3.822 0.000 -0.026) 3.822 6.629 ( 0.108 0.000 5.366) 5.367 6.829 ( 2.770 0.000 -9.182) 9.591 6.919 ( -2.434 0.000 -3.674) 4.407 7.033 ( -1.806 0.000 3.685) 4.104 7.088 ( -4.353 0.000 1.621) 4.645 7.238 ( 3.061 0.000 -2.626) 4.033 7.367 ( 0.228 0.000 1.602) 1.618 7.387 ( 3.832 0.000 -2.787) 4.738 7.435 ( 6.590 0.000 3.020) 7.249 7.494 ( -6.169 0.000 -2.865) 6.801 8.010 ( 2.598 0.000 -2.759) 3.790 8.042 ( 1.869 0.000 10.166) 10.336 8.300 ( -1.854 0.000 6.608) 6.863 8.387 ( 4.901 0.000 -1.111) 5.025 8.667 ( -3.473 0.000 -0.555) 3.517 8.691 ( 2.340 0.000 1.479) 2.769 8.751 ( -0.850 0.000 -3.376) 3.481 8.981 ( 0.886 0.000 0.232) 0.915 9.005 ( -1.955 0.000 -5.958) 6.270 9.232 ( -3.105 0.000 -2.848) 4.213 9.316 ( 2.923 0.000 -4.137) 5.066 ======================= Grid point 125 (59/116) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -15.164 0.000 9.008) 17.637 1.427 ( -12.892 0.000 12.821) 18.182 1.970 ( 6.962 0.000 -6.831) 9.753 1.997 ( -0.634 0.000 9.088) 9.110 2.267 ( -7.051 0.000 4.774) 8.515 2.277 ( 0.182 0.000 -1.551) 1.562 2.321 ( -13.204 0.000 11.228) 17.332 2.460 ( -1.518 0.000 3.254) 3.591 2.568 ( 1.568 0.000 -2.848) 3.251 2.763 ( 0.254 0.000 2.900) 2.911 2.836 ( 3.103 0.000 0.979) 3.253 2.988 ( 1.734 0.000 4.559) 4.877 2.993 ( -3.277 0.000 -0.476) 3.312 3.198 ( 7.943 0.000 2.439) 8.309 3.296 ( -1.292 0.000 2.980) 3.248 3.300 ( -4.962 0.000 -1.934) 5.326 3.508 ( 1.828 0.000 3.324) 3.794 3.660 ( 0.176 0.000 -1.327) 1.338 3.699 ( 4.002 0.000 1.338) 4.219 3.818 ( 0.390 0.000 -6.972) 6.983 4.095 ( 5.603 0.000 -3.400) 6.554 4.139 ( -0.115 0.000 -3.366) 3.368 4.575 ( -1.605 0.000 -2.445) 2.925 4.585 ( 8.019 0.000 -12.949) 15.231 6.224 ( 2.601 0.000 15.334) 15.553 6.282 ( -3.448 0.000 5.364) 6.376 6.385 ( -2.187 0.000 -2.071) 3.012 6.648 ( 0.492 0.000 6.166) 6.186 6.825 ( -1.218 0.000 -7.316) 7.417 6.926 ( 4.495 0.000 -3.353) 5.608 6.942 ( -6.691 0.000 8.990) 11.207 7.076 ( 1.667 0.000 -3.168) 3.580 7.268 ( 0.770 0.000 -4.148) 4.218 7.317 ( -5.077 0.000 -3.344) 6.079 7.421 ( -1.871 0.000 5.890) 6.180 7.448 ( 3.600 0.000 -3.539) 5.049 7.577 ( 5.503 0.000 2.543) 6.062 8.082 ( 4.862 0.000 -3.651) 6.080 8.115 ( 2.944 0.000 7.258) 7.832 8.305 ( 1.116 0.000 6.918) 7.007 8.485 ( 5.239 0.000 -0.458) 5.259 8.585 ( -3.756 0.000 -0.947) 3.874 8.705 ( -3.587 0.000 -1.604) 3.929 8.736 ( 1.411 0.000 2.637) 2.991 8.967 ( -0.158 0.000 -5.681) 5.683 8.976 ( -1.577 0.000 -1.555) 2.215 9.168 ( -2.399 0.000 -3.281) 4.064 9.347 ( 1.020 0.000 -3.333) 3.486 ======================= Grid point 126 (60/116) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -3.592 0.000 18.810) 19.150 1.217 ( -11.442 0.000 20.373) 23.367 1.999 ( -12.901 0.000 35.303) 37.587 2.023 ( -3.835 0.000 4.840) 6.175 2.072 ( 3.701 0.000 -8.658) 9.416 2.244 ( -0.999 0.000 -7.676) 7.741 2.296 ( 2.192 0.000 -0.630) 2.281 2.430 ( -0.962 0.000 -0.166) 0.976 2.637 ( 5.068 0.000 -1.577) 5.307 2.736 ( -1.421 0.000 -2.479) 2.857 2.918 ( 2.785 0.000 2.747) 3.912 2.953 ( -1.063 0.000 1.606) 1.926 3.041 ( 2.849 0.000 0.847) 2.972 3.212 ( -2.288 0.000 1.906) 2.978 3.224 ( -1.925 0.000 -1.634) 2.526 3.394 ( 5.753 0.000 0.809) 5.809 3.541 ( 0.622 0.000 1.258) 1.403 3.653 ( -0.530 0.000 3.286) 3.328 3.690 ( -4.630 0.000 -5.066) 6.863 3.786 ( -0.564 0.000 2.940) 2.994 4.129 ( -0.171 0.000 -2.186) 2.193 4.236 ( 8.619 0.000 -6.304) 10.678 4.499 ( -5.282 0.000 -3.108) 6.129 4.702 ( 6.537 0.000 -13.095) 14.636 6.217 ( -4.150 0.000 4.522) 6.137 6.346 ( 0.127 0.000 0.593) 0.606 6.395 ( 9.642 0.000 11.032) 14.652 6.683 ( 1.365 0.000 7.329) 7.455 6.780 ( -1.222 0.000 -6.162) 6.282 6.868 ( -2.730 0.000 9.647) 10.025 7.038 ( 6.930 0.000 -1.566) 7.105 7.111 ( 2.059 0.000 -0.681) 2.169 7.200 ( -5.836 0.000 -0.550) 5.862 7.254 ( -0.752 0.000 -4.092) 4.161 7.393 ( -3.255 0.000 6.908) 7.637 7.488 ( 0.932 0.000 -4.742) 4.833 7.626 ( -0.658 0.000 -2.972) 3.044 8.142 ( 1.911 0.000 -7.461) 7.701 8.169 ( 0.886 0.000 2.281) 2.447 8.394 ( 5.934 0.000 6.444) 8.760 8.527 ( -0.700 0.000 0.371) 0.792 8.575 ( -1.717 0.000 4.618) 4.927 8.644 ( 2.335 0.000 -3.454) 4.169 8.742 ( -2.377 0.000 5.383) 5.884 8.917 ( -2.968 0.000 -3.230) 4.386 8.976 ( 2.553 0.000 -3.842) 4.612 9.130 ( -0.661 0.000 -2.921) 2.994 9.333 ( -1.732 0.000 -2.721) 3.225 ======================= Grid point 127 (61/116) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 3.227 12.946 18.876) 23.115 1.249 ( -1.008 9.783 19.496) 21.836 1.971 ( -4.841 8.654 11.815) 15.424 2.002 ( -0.294 0.241 -1.549) 1.595 2.144 ( 1.075 3.334 10.348) 10.925 2.212 ( -0.342 -0.090 -4.722) 4.736 2.392 ( 0.848 5.472 -0.618) 5.572 2.437 ( -0.320 2.126 0.827) 2.304 2.648 ( 1.718 -4.029 -1.510) 4.633 2.725 ( 0.823 -1.500 -0.717) 1.855 2.873 ( -0.902 -6.358 0.272) 6.427 2.966 ( 2.395 0.107 0.295) 2.415 2.986 ( 1.542 -6.694 0.298) 6.875 3.209 ( 2.014 -0.798 1.455) 2.610 3.250 ( 0.461 1.278 -3.008) 3.301 3.473 ( 0.178 0.914 0.239) 0.961 3.516 ( -3.738 1.723 -2.507) 4.819 3.605 ( -2.413 0.364 -1.058) 2.660 3.740 ( 2.393 4.053 9.152) 10.292 3.785 ( -1.244 1.237 2.319) 2.908 4.114 ( 0.469 -1.068 -2.406) 2.674 4.294 ( -1.469 -4.599 -4.376) 6.516 4.371 ( -1.866 -0.679 -3.934) 4.407 4.710 ( 2.528 -4.170 -10.136) 11.248 6.185 ( -2.703 2.835 5.817) 7.013 6.385 ( 1.346 3.489 -1.816) 4.157 6.687 ( 1.610 -4.436 6.915) 8.372 6.747 ( 7.552 7.547 0.990) 10.722 6.760 ( 0.896 0.905 -1.538) 1.996 6.918 ( 2.560 1.420 11.533) 11.899 7.049 ( 0.299 -2.813 1.754) 3.329 7.127 ( 0.319 -1.069 2.155) 2.427 7.191 ( -1.933 4.614 0.346) 5.015 7.278 ( 0.974 1.715 -1.065) 2.241 7.394 ( -1.241 2.402 -1.273) 2.988 7.470 ( -5.057 6.442 -4.310) 9.255 7.591 ( -0.547 0.150 -2.440) 2.505 8.075 ( -4.901 -1.024 -11.197) 12.265 8.149 ( -2.183 -1.033 0.978) 2.606 8.429 ( 1.937 -5.628 4.248) 7.313 8.470 ( -0.760 -5.477 3.233) 6.405 8.509 ( -3.585 -2.029 3.028) 5.112 8.703 ( 3.209 -0.600 -1.412) 3.557 8.730 ( 1.602 0.624 2.890) 3.362 8.881 ( 0.605 0.587 -3.047) 3.162 9.038 ( 5.259 -1.355 0.051) 5.431 9.169 ( 0.211 3.452 -4.658) 5.802 9.289 ( -3.153 1.645 -3.289) 4.844 ======================= Grid point 128 (62/116) ======================= q-point: ( 0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 2.073 11.781 16.214) 20.149 1.362 ( 7.146 7.632 16.655) 19.664 1.956 ( -2.709 1.102 -8.290) 8.790 1.969 ( 1.209 6.035 6.511) 8.959 2.170 ( -0.545 3.233 -6.863) 7.606 2.254 ( 3.405 -1.737 13.160) 13.704 2.399 ( 0.140 2.267 -2.162) 3.136 2.460 ( 3.095 6.101 8.624) 11.008 2.608 ( -3.516 1.570 -2.717) 4.713 2.786 ( 2.828 -5.478 3.537) 7.107 2.851 ( -0.792 -7.774 -0.484) 7.829 2.988 ( -0.509 -4.769 0.506) 4.823 3.052 ( 4.939 -0.520 -0.294) 4.975 3.233 ( -0.623 -0.532 -3.012) 3.122 3.261 ( 0.378 -3.544 1.492) 3.864 3.405 ( -3.745 3.601 1.557) 5.424 3.472 ( -2.512 0.484 0.919) 2.718 3.582 ( 0.006 -1.825 -2.421) 3.032 3.722 ( -3.778 0.972 3.253) 5.079 3.807 ( 0.022 6.450 7.662) 10.016 4.150 ( 4.761 -0.678 -6.864) 8.381 4.212 ( -3.310 -2.950 -4.825) 6.553 4.339 ( -2.728 -0.096 -3.428) 4.383 4.705 ( -0.470 -3.165 -8.291) 8.887 6.160 ( -1.111 2.468 4.865) 5.567 6.413 ( 1.481 4.105 -0.572) 4.401 6.699 ( -1.709 -3.481 4.003) 5.573 6.755 ( -0.702 0.674 1.613) 1.884 6.853 ( 3.540 4.189 -3.410) 6.458 6.955 ( -3.879 3.419 6.146) 8.032 7.058 ( 0.188 -1.832 6.376) 6.637 7.140 ( 1.211 -0.177 4.585) 4.746 7.194 ( 1.291 4.344 -0.227) 4.537 7.276 ( -3.197 0.299 -2.515) 4.079 7.339 ( -0.891 5.456 -1.551) 5.742 7.428 ( 2.883 3.368 -0.481) 4.459 7.630 ( 4.242 -0.266 0.499) 4.279 7.907 ( -7.986 -0.796 -12.047) 14.475 8.091 ( -3.923 0.405 4.915) 6.301 8.407 ( -3.864 -3.969 -0.300) 5.547 8.464 ( -1.285 -3.781 7.231) 8.261 8.533 ( 3.647 -6.260 2.927) 7.814 8.736 ( 1.542 -1.192 -4.637) 5.030 8.758 ( -0.421 0.356 -1.551) 1.647 8.893 ( 1.531 0.449 0.333) 1.629 9.128 ( 1.536 -1.857 1.421) 2.798 9.173 ( 1.762 1.988 -6.276) 6.815 9.230 ( -0.294 2.453 -3.887) 4.605 ======================= Grid point 129 (63/116) ======================= q-point: ( 0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 8.846 7.321 10.099) 15.292 1.574 ( 9.876 4.016 11.898) 15.976 1.873 ( -3.286 3.347 -7.068) 8.483 2.014 ( 1.708 3.761 1.922) 4.556 2.126 ( -2.271 2.018 -4.198) 5.182 2.313 ( 0.547 -3.634 4.879) 6.108 2.386 ( -0.287 0.072 -1.724) 1.749 2.502 ( -3.647 2.194 -0.865) 4.343 2.640 ( 4.800 2.262 11.103) 12.306 2.773 ( -1.253 -1.780 -0.396) 2.213 2.889 ( 2.620 -6.328 4.250) 8.061 2.958 ( -2.235 -1.293 3.850) 4.636 3.115 ( -3.974 -5.780 -3.131) 7.681 3.163 ( 0.967 -3.148 -0.247) 3.302 3.274 ( 0.405 -2.212 -0.181) 2.257 3.395 ( -2.017 -0.028 4.407) 4.846 3.428 ( 0.562 1.787 4.207) 4.605 3.584 ( 1.743 -0.418 -3.494) 3.927 3.664 ( -2.175 0.923 -0.326) 2.385 3.797 ( -2.585 8.308 5.762) 10.436 4.149 ( -2.133 -0.657 -5.827) 6.240 4.232 ( -5.256 2.724 -2.095) 6.279 4.264 ( 6.659 0.392 -7.603) 10.114 4.655 ( -2.686 -2.005 -5.792) 6.692 6.170 ( 0.862 1.189 4.805) 5.024 6.420 ( -1.448 3.593 2.069) 4.392 6.655 ( -3.069 -0.671 4.678) 5.635 6.739 ( -0.827 1.564 -0.995) 2.030 6.861 ( -4.860 8.528 3.848) 10.543 6.910 ( 2.457 -0.428 -3.168) 4.032 7.063 ( -0.954 -1.108 3.228) 3.544 7.133 ( -1.555 1.568 -0.833) 2.360 7.186 ( -0.858 -1.961 -1.274) 2.491 7.271 ( 0.976 4.475 6.740) 8.149 7.356 ( 1.421 5.919 0.089) 6.088 7.513 ( 4.512 -1.910 -0.015) 4.900 7.673 ( -3.678 2.854 -6.056) 7.639 7.801 ( 3.903 -2.836 -3.472) 5.944 8.042 ( -2.474 0.952 7.402) 7.863 8.320 ( -4.786 -4.310 0.470) 6.457 8.448 ( -2.629 -2.141 5.532) 6.488 8.598 ( 2.335 -6.005 1.254) 6.564 8.706 ( -3.078 0.179 -3.493) 4.659 8.759 ( 1.873 -0.867 -3.761) 4.290 8.930 ( 0.922 -0.320 3.511) 3.644 9.105 ( -1.309 -1.685 -3.573) 4.162 9.181 ( 1.198 1.591 -8.426) 8.658 9.274 ( 3.088 -0.113 -1.221) 3.322 ======================= Grid point 130 (64/116) ======================= q-point: ( 0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 11.308 3.667 4.266) 12.630 1.771 ( 7.085 0.567 7.038) 10.003 1.809 ( -1.512 4.134 -2.159) 4.903 2.004 ( -3.296 1.937 -2.389) 4.508 2.100 ( 1.260 1.272 2.021) 2.701 2.310 ( -1.388 -2.362 0.985) 2.911 2.398 ( 1.018 -1.013 1.950) 2.422 2.434 ( -2.890 1.113 0.084) 3.098 2.565 ( -6.191 -5.291 0.360) 8.152 2.838 ( 0.522 -0.127 0.714) 0.893 2.920 ( -3.006 -2.378 1.010) 3.964 2.983 ( 1.697 -3.006 7.313) 8.087 3.002 ( -3.180 -6.675 4.456) 8.633 3.191 ( 3.201 -8.267 -3.277) 9.451 3.260 ( -1.953 -0.579 4.443) 4.888 3.365 ( -0.555 -0.622 -0.542) 0.994 3.500 ( 3.516 4.526 6.247) 8.478 3.616 ( -0.488 2.950 -4.954) 5.787 3.666 ( 5.245 2.126 -1.850) 5.954 3.752 ( -2.508 8.817 2.675) 9.549 4.013 ( -9.668 5.860 1.077) 11.356 4.183 ( 0.878 1.920 -5.297) 5.702 4.385 ( 6.506 -0.888 -5.918) 8.840 4.581 ( -3.105 -0.871 -4.631) 5.643 6.211 ( 1.556 0.050 5.825) 6.030 6.369 ( -3.870 3.483 5.217) 7.371 6.630 ( -0.660 2.091 1.559) 2.690 6.696 ( -4.351 4.688 3.572) 7.326 6.802 ( -0.605 4.777 -2.243) 5.312 6.947 ( 1.566 -2.749 -3.561) 4.763 7.047 ( -0.648 0.318 0.355) 0.804 7.148 ( -1.555 -4.330 -0.053) 4.601 7.155 ( 2.980 2.839 0.573) 4.155 7.285 ( -1.885 4.223 10.049) 11.062 7.385 ( 1.610 6.325 -1.126) 6.623 7.499 ( -4.067 0.376 -7.747) 8.758 7.642 ( 2.124 -0.748 -2.862) 3.642 7.901 ( 3.678 -1.297 1.612) 4.220 8.040 ( 0.695 1.919 5.325) 5.703 8.235 ( -3.685 -5.675 1.758) 6.991 8.386 ( -4.385 -1.111 4.814) 6.606 8.630 ( 0.474 -4.307 -0.906) 4.426 8.664 ( 0.434 -0.235 -0.911) 1.036 8.781 ( 0.987 -0.354 -2.941) 3.123 8.935 ( -1.004 -0.320 2.901) 3.087 9.080 ( -0.899 -2.982 -3.812) 4.923 9.193 ( 2.598 0.030 -8.620) 9.003 9.310 ( 1.038 -0.351 -2.012) 2.291 ======================= Grid point 131 (65/116) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -6.132 2.887 1.956) 7.054 1.769 ( -4.371 5.721 0.568) 7.222 1.869 ( -0.083 -1.184 3.845) 4.024 2.001 ( 3.017 3.378 3.537) 5.746 2.188 ( 8.148 -3.866 -0.652) 9.042 2.286 ( -0.925 -1.772 0.985) 2.228 2.381 ( -1.394 -0.821 -1.986) 2.562 2.408 ( 0.992 1.198 0.517) 1.639 2.553 ( 1.041 -9.772 5.881) 11.453 2.779 ( -5.145 -5.148 2.463) 7.684 2.822 ( -2.476 1.058 -0.111) 2.695 2.960 ( -1.731 -8.032 2.116) 8.485 3.003 ( -1.988 -3.694 1.536) 4.468 3.196 ( -5.116 -1.990 5.480) 7.756 3.323 ( 5.121 -4.334 -3.054) 7.371 3.380 ( 2.739 0.781 -1.054) 3.037 3.544 ( 0.047 6.015 3.518) 6.968 3.597 ( -0.191 10.105 1.027) 10.159 3.691 ( -2.095 8.059 0.083) 8.328 3.777 ( 0.490 2.230 -1.047) 2.512 3.908 ( 3.310 3.707 0.651) 5.012 4.187 ( 0.237 2.044 -4.368) 4.828 4.470 ( 2.480 -2.520 -3.098) 4.701 4.535 ( 0.808 0.904 -6.089) 6.209 6.233 ( -1.817 0.452 8.927) 9.121 6.340 ( 0.199 4.573 5.248) 6.964 6.591 ( -4.528 5.041 -1.308) 6.901 6.634 ( -1.836 1.677 5.193) 5.757 6.810 ( 1.844 2.068 -4.370) 5.174 6.935 ( -1.927 -3.489 -2.632) 4.776 7.045 ( 1.032 1.066 -3.824) 4.102 7.125 ( -1.557 -4.284 6.040) 7.567 7.222 ( 0.047 2.195 0.142) 2.200 7.301 ( 4.648 4.865 8.057) 10.497 7.409 ( 1.022 4.096 -1.342) 4.430 7.423 ( -1.265 2.289 -5.792) 6.355 7.630 ( -2.852 1.068 -4.967) 5.827 7.944 ( 1.273 -1.225 4.215) 4.570 8.057 ( -1.019 2.903 1.891) 3.612 8.224 ( 2.383 -7.147 2.337) 7.888 8.334 ( -1.959 -0.775 5.614) 5.996 8.630 ( 0.347 -2.485 -1.015) 2.707 8.700 ( 2.185 0.081 0.262) 2.202 8.776 ( -0.470 0.090 -3.561) 3.593 8.917 ( -1.274 -3.040 1.623) 3.674 9.038 ( -2.075 -2.409 -4.721) 5.692 9.233 ( 2.699 -1.518 -5.266) 6.109 9.312 ( 0.318 0.717 -3.710) 3.792 ======================= Grid point 132 (66/116) ======================= q-point: (-0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -14.773 4.526 3.849) 15.923 1.674 ( -7.077 6.329 5.071) 10.764 1.869 ( 1.022 -1.536 0.161) 1.852 2.030 ( -0.129 2.972 5.508) 6.261 2.262 ( -1.432 -2.241 0.242) 2.670 2.296 ( 1.523 -2.281 -4.256) 5.063 2.371 ( -2.183 -4.445 3.553) 6.095 2.438 ( -0.224 -4.567 0.897) 4.660 2.593 ( 7.110 -1.536 3.007) 7.871 2.754 ( -5.042 2.079 2.355) 5.940 2.829 ( 3.084 -6.948 3.987) 8.584 2.953 ( 4.010 -3.250 -0.367) 5.175 2.970 ( -0.952 -1.820 1.566) 2.583 3.085 ( -5.979 2.141 2.495) 6.823 3.319 ( -4.130 -4.272 0.902) 6.010 3.378 ( -3.001 2.148 0.625) 3.743 3.567 ( 1.537 5.914 0.189) 6.113 3.631 ( 1.520 4.954 -0.076) 5.183 3.678 ( 1.175 5.959 3.920) 7.228 3.788 ( 3.386 0.091 -3.330) 4.750 4.040 ( 6.733 3.281 -1.729) 7.687 4.164 ( -1.310 0.761 -3.710) 4.007 4.489 ( 2.666 -0.821 -6.903) 7.445 4.565 ( 1.771 -0.791 -3.478) 3.983 6.214 ( -2.050 2.201 11.592) 11.976 6.376 ( 1.300 5.843 5.362) 8.036 6.495 ( -4.502 4.450 -1.319) 6.466 6.612 ( -1.481 -1.703 3.047) 3.792 6.844 ( 2.565 1.885 -3.788) 4.948 6.879 ( -2.480 -2.849 -2.423) 4.488 7.060 ( -0.589 2.244 1.261) 2.640 7.075 ( -3.786 -2.400 3.620) 5.762 7.229 ( 2.173 0.288 -2.453) 3.289 7.402 ( 0.670 2.660 -3.638) 4.556 7.425 ( 0.947 2.058 -3.765) 4.394 7.453 ( 5.228 3.555 7.971) 10.174 7.541 ( -2.744 4.090 -2.591) 5.566 7.999 ( 3.674 -0.557 1.349) 3.953 8.047 ( 0.227 0.213 4.716) 4.726 8.277 ( 0.753 -2.702 4.664) 5.443 8.356 ( 3.667 -2.516 1.763) 4.784 8.629 ( -1.011 -2.524 -0.771) 2.826 8.713 ( -0.854 0.872 -0.948) 1.545 8.768 ( 0.484 1.568 -1.744) 2.394 8.889 ( -1.812 -7.449 -0.413) 7.677 8.988 ( -1.452 -1.664 -4.766) 5.253 9.244 ( -0.430 0.340 -2.934) 2.985 9.326 ( 2.270 0.625 -4.957) 5.488 ======================= Grid point 133 (67/116) ======================= q-point: (-0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -12.788 7.984 9.464) 17.801 1.500 ( -12.261 6.666 12.749) 18.903 1.923 ( 3.454 -1.618 -0.098) 3.816 2.062 ( 2.743 3.295 3.168) 5.331 2.211 ( -4.842 -2.564 5.977) 8.109 2.284 ( -1.577 -1.722 -5.142) 5.647 2.316 ( -0.805 0.956 -1.347) 1.837 2.473 ( 1.923 -2.561 1.735) 3.642 2.626 ( -6.682 6.326 5.937) 10.951 2.753 ( 5.067 -2.340 2.642) 6.175 2.797 ( -2.276 -1.647 -0.570) 2.866 2.954 ( -0.870 -3.207 -0.294) 3.336 3.011 ( -2.536 0.095 2.874) 3.834 3.155 ( 8.766 -3.919 1.144) 9.670 3.238 ( -0.803 0.703 4.470) 4.595 3.321 ( -2.283 -0.580 -0.617) 2.435 3.583 ( -0.257 5.615 1.406) 5.794 3.645 ( 0.882 -0.810 -2.305) 2.597 3.714 ( 1.177 0.670 1.278) 1.862 3.839 ( 0.021 2.055 -2.243) 3.042 4.111 ( 1.210 -0.173 -3.279) 3.500 4.161 ( 3.364 3.113 -3.151) 5.562 4.545 ( 0.633 -2.524 -2.989) 3.963 4.570 ( 3.522 -1.369 -8.690) 9.476 6.222 ( -0.704 1.549 12.607) 12.722 6.412 ( -0.704 8.177 4.169) 9.205 6.423 ( 0.108 4.992 -0.807) 5.058 6.604 ( -0.036 -3.797 4.297) 5.735 6.823 ( -1.842 -1.028 -3.897) 4.431 6.901 ( 2.363 0.458 1.014) 2.612 6.973 ( -4.622 0.668 7.028) 8.438 7.086 ( 1.625 0.915 -4.219) 4.612 7.265 ( 1.547 -0.080 -2.502) 2.943 7.353 ( -4.555 3.594 -2.970) 6.518 7.431 ( 0.723 0.027 -1.979) 2.107 7.489 ( 0.964 4.428 2.073) 4.984 7.609 ( 4.440 2.835 1.952) 5.617 8.080 ( 4.140 -0.245 -3.934) 5.717 8.099 ( 3.221 -1.230 6.221) 7.113 8.304 ( 1.491 -0.222 5.664) 5.861 8.451 ( 4.759 -3.576 0.969) 6.031 8.578 ( -2.637 -0.373 -0.867) 2.801 8.685 ( -2.933 -0.829 -0.851) 3.164 8.751 ( -1.797 -1.248 1.895) 2.894 8.866 ( 0.308 -5.879 -3.290) 6.744 8.962 ( -0.164 -1.188 -4.086) 4.258 9.219 ( -1.033 2.844 -3.654) 4.744 9.352 ( 1.194 0.314 -4.102) 4.283 ======================= Grid point 134 (68/116) ======================= q-point: (-0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -1.657 12.009 17.077) 20.943 1.311 ( -9.885 8.743 18.206) 22.486 1.975 ( 1.663 -1.468 2.936) 3.680 2.095 ( -9.170 6.135 13.443) 17.391 2.120 ( 1.181 2.019 2.222) 3.226 2.238 ( -1.026 0.062 -5.869) 5.959 2.347 ( 3.911 4.132 -4.686) 7.371 2.464 ( -3.380 3.708 6.797) 8.448 2.589 ( 2.520 -3.516 -0.651) 4.375 2.742 ( -1.264 0.379 -2.308) 2.659 2.857 ( 2.999 -4.397 1.169) 5.449 2.940 ( -0.293 -0.939 1.306) 1.635 2.979 ( -1.077 -6.061 0.425) 6.170 3.176 ( 0.459 -1.608 1.224) 2.072 3.262 ( -1.235 1.717 -1.164) 2.414 3.409 ( 6.750 1.133 1.785) 7.073 3.574 ( -1.097 2.322 -0.149) 2.572 3.651 ( -0.263 0.344 1.843) 1.893 3.703 ( -2.119 1.216 -2.499) 3.495 3.799 ( -1.556 1.286 3.205) 3.788 4.118 ( 0.192 -1.429 -1.883) 2.372 4.246 ( 5.389 0.825 -4.874) 7.313 4.471 ( -5.429 -2.766 -1.886) 6.378 4.657 ( 5.513 -3.683 -10.720) 12.605 6.222 ( -2.410 1.572 8.577) 9.046 6.379 ( -0.426 3.117 -2.197) 3.837 6.538 ( 8.848 10.826 7.423) 15.830 6.633 ( 1.594 -4.030 6.008) 7.408 6.783 ( -1.298 -0.197 -3.252) 3.507 6.890 ( -2.165 2.108 9.010) 9.503 7.000 ( 3.787 -2.498 0.599) 4.576 7.107 ( 1.294 -0.148 -1.619) 2.078 7.256 ( -4.337 4.228 -0.615) 6.088 7.274 ( 0.208 1.552 -2.506) 2.955 7.425 ( -1.333 1.687 0.902) 2.332 7.512 ( 0.771 3.488 -2.299) 4.248 7.642 ( -1.377 1.514 -2.555) 3.274 8.123 ( 1.289 -1.692 -4.949) 5.386 8.161 ( 1.419 -0.932 -0.478) 1.764 8.368 ( 3.072 -1.844 4.779) 5.973 8.486 ( -0.904 -4.401 1.073) 4.619 8.577 ( -3.086 -0.425 4.330) 5.334 8.627 ( 3.105 -0.899 -1.625) 3.618 8.724 ( -1.808 -2.351 3.685) 4.730 8.873 ( 0.977 -1.614 -3.145) 3.668 8.968 ( 2.120 -0.892 -3.221) 3.958 9.189 ( -0.886 3.934 -4.491) 6.036 9.343 ( -1.270 0.720 -3.345) 3.649 ======================= Grid point 135 (69/116) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 3.463 16.474 11.761) 20.535 1.500 ( -0.091 15.610 13.419) 20.585 2.013 ( 0.968 2.763 -3.068) 4.241 2.089 ( -1.660 -0.252 2.075) 2.669 2.186 ( -0.303 1.443 3.590) 3.881 2.232 ( 0.312 1.362 -1.797) 2.276 2.422 ( 2.304 -3.464 -5.060) 6.550 2.524 ( 5.322 -7.596 0.149) 9.276 2.594 ( -3.722 8.921 7.320) 12.125 2.706 ( -1.499 -0.420 -4.739) 4.988 2.739 ( -2.419 -4.387 -1.863) 5.345 2.891 ( 1.191 -2.506 -0.553) 2.829 2.998 ( 2.777 3.153 1.043) 4.329 3.159 ( 1.564 -3.357 -0.598) 3.751 3.277 ( -0.986 3.199 0.615) 3.404 3.497 ( -0.104 1.346 0.062) 1.352 3.546 ( -2.777 0.919 -1.351) 3.222 3.629 ( -4.169 1.938 -0.286) 4.607 3.801 ( -2.746 1.437 4.649) 5.587 3.844 ( 6.658 4.434 5.720) 9.834 4.079 ( 0.879 -2.404 -0.231) 2.570 4.171 ( -3.349 -7.697 -1.162) 8.474 4.352 ( -1.371 -0.483 -1.556) 2.129 4.603 ( 1.701 -6.348 -5.158) 8.354 6.260 ( -1.924 4.177 7.326) 8.650 6.473 ( 1.528 5.131 -1.345) 5.520 6.575 ( 1.700 -6.194 8.081) 10.323 6.753 ( 0.789 -1.407 0.854) 1.825 6.908 ( 3.923 6.742 0.644) 7.827 6.958 ( 1.200 2.426 10.975) 11.304 6.993 ( 0.965 -1.653 0.460) 1.968 7.112 ( 0.534 -0.842 -0.332) 1.051 7.294 ( -0.316 1.717 1.842) 2.538 7.324 ( 0.477 5.782 -1.412) 5.971 7.402 ( -1.547 0.071 -1.979) 2.513 7.603 ( -4.343 2.672 -2.764) 5.800 7.659 ( 1.341 8.742 -4.629) 9.983 8.050 ( -4.133 -1.832 -10.814) 11.721 8.100 ( -1.146 -3.362 1.421) 3.826 8.332 ( -2.186 -5.162 2.596) 6.178 8.346 ( 0.194 -4.975 3.421) 6.041 8.445 ( -3.274 -4.037 0.236) 5.204 8.693 ( 2.093 -0.290 -0.762) 2.246 8.730 ( 1.803 -0.624 2.393) 3.060 8.901 ( 1.498 1.406 -2.120) 2.952 9.007 ( 4.428 -1.645 0.249) 4.730 9.237 ( -0.145 3.034 -6.401) 7.085 9.316 ( -1.853 0.830 -4.451) 4.892 ======================= Grid point 136 (70/116) ======================= q-point: ( 0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 0.328 15.938 9.750) 18.687 1.577 ( 4.483 13.958 11.468) 18.613 2.000 ( -0.716 3.239 -7.612) 8.303 2.072 ( -0.167 3.299 4.327) 5.444 2.187 ( -0.415 -1.210 -0.103) 1.283 2.250 ( 0.922 0.795 1.839) 2.206 2.433 ( -0.459 -0.778 -4.894) 4.977 2.567 ( -0.684 2.297 5.645) 6.133 2.613 ( 3.178 -8.268 2.029) 9.088 2.654 ( -3.253 -1.717 -2.476) 4.434 2.717 ( 1.948 -1.539 -3.655) 4.419 2.902 ( -0.089 -3.521 0.082) 3.523 3.056 ( 2.736 -0.059 -2.142) 3.475 3.157 ( -3.160 -5.108 -0.556) 6.032 3.270 ( 1.189 4.635 3.264) 5.792 3.465 ( -4.144 1.767 0.842) 4.583 3.486 ( -2.729 1.298 2.258) 3.773 3.563 ( -1.025 0.967 -0.451) 1.480 3.732 ( -4.518 -0.177 2.641) 5.236 3.952 ( 2.507 6.948 6.855) 10.077 4.120 ( 1.493 -3.933 -3.807) 5.674 4.149 ( 3.417 -1.208 -0.381) 3.644 4.334 ( -0.440 -0.116 -2.217) 2.264 4.610 ( 0.079 -6.350 -4.024) 7.518 6.237 ( -1.951 4.820 5.754) 7.756 6.496 ( 0.239 2.694 -0.179) 2.711 6.618 ( 1.110 -2.950 6.936) 7.619 6.776 ( 0.737 1.015 2.068) 2.418 6.929 ( -0.161 3.218 -2.148) 3.873 6.988 ( -1.057 -0.572 7.433) 7.529 7.029 ( 2.040 -0.392 0.514) 2.140 7.131 ( 0.769 -0.998 1.894) 2.275 7.281 ( -2.366 2.107 0.539) 3.214 7.343 ( 0.581 7.456 1.328) 7.595 7.399 ( 2.905 0.702 -0.806) 3.095 7.530 ( -2.214 4.745 0.562) 5.266 7.678 ( 2.693 6.293 -5.436) 8.741 7.897 ( -7.283 -0.137 -10.721) 12.961 8.073 ( -2.709 -2.161 2.030) 4.016 8.316 ( -2.188 -4.985 3.972) 6.739 8.355 ( 0.905 -6.231 1.462) 6.464 8.408 ( -0.064 -5.810 3.344) 6.704 8.712 ( 1.078 -0.935 -3.746) 4.009 8.748 ( -0.423 -1.153 -0.820) 1.477 8.916 ( 0.259 1.856 1.114) 2.180 9.082 ( 1.866 -2.647 1.120) 3.427 9.221 ( 0.379 2.336 -7.207) 7.586 9.270 ( -0.925 1.382 -5.209) 5.468 ======================= Grid point 137 (71/116) ======================= q-point: ( 0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 2.548 11.898 6.927) 14.002 1.713 ( 5.904 9.602 8.061) 13.858 1.959 ( -1.553 4.488 -6.199) 7.809 2.092 ( 0.664 3.645 1.533) 4.010 2.158 ( -2.415 0.598 -0.650) 2.571 2.265 ( -0.170 -0.951 3.428) 3.561 2.388 ( -2.058 -0.748 -2.678) 3.459 2.561 ( -5.168 0.549 -2.556) 5.792 2.566 ( -1.592 -2.706 0.663) 3.209 2.665 ( 1.593 -12.584 5.354) 13.768 2.798 ( 5.671 -0.135 -3.858) 6.860 2.896 ( -0.060 -6.240 -0.000) 6.240 3.028 ( -5.623 -2.055 -2.448) 6.468 3.073 ( -3.690 -5.298 -0.066) 6.456 3.291 ( -0.717 3.107 0.787) 3.284 3.393 ( -2.677 -0.313 3.416) 4.351 3.488 ( 2.542 2.987 3.990) 5.594 3.602 ( 4.794 2.138 -2.969) 6.031 3.670 ( -1.543 1.869 3.485) 4.245 3.981 ( -1.207 9.377 5.824) 11.104 4.124 ( 1.320 -2.443 -2.238) 3.566 4.253 ( 4.162 0.284 -1.821) 4.552 4.311 ( -0.631 3.178 -2.034) 3.826 4.585 ( -1.494 -5.002 -3.083) 6.062 6.224 ( -0.635 3.971 5.286) 6.642 6.468 ( -2.852 -0.109 2.127) 3.560 6.663 ( 1.572 2.409 4.765) 5.566 6.788 ( 0.270 3.116 0.192) 3.134 6.913 ( -0.429 0.551 -3.450) 3.520 6.972 ( -1.740 1.477 3.970) 4.579 7.068 ( 0.753 0.186 4.314) 4.383 7.116 ( -2.765 -1.415 0.031) 3.106 7.217 ( -2.505 3.995 -1.211) 4.868 7.365 ( -0.013 4.014 4.698) 6.179 7.470 ( 3.916 0.657 0.124) 3.973 7.514 ( 0.114 7.282 -0.506) 7.300 7.735 ( -5.939 2.717 -8.174) 10.463 7.761 ( 6.244 -0.617 -2.612) 6.796 8.026 ( -2.342 -2.075 4.056) 5.122 8.250 ( -4.317 -1.810 2.800) 5.455 8.377 ( -0.996 -4.819 4.959) 6.986 8.451 ( 3.099 -8.470 1.419) 9.130 8.708 ( -2.041 -0.060 -3.934) 4.432 8.734 ( 1.838 -1.387 -3.744) 4.396 8.923 ( -0.161 0.213 3.721) 3.730 9.066 ( -2.695 -2.515 -1.499) 3.980 9.210 ( 0.429 1.386 -8.466) 8.590 9.271 ( 1.774 -0.250 -4.049) 4.428 ======================= Grid point 138 (72/116) ======================= q-point: ( 0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 9.237 4.326 3.533) 10.794 1.811 ( 1.702 4.891 4.355) 6.767 1.915 ( -1.626 4.909 -2.152) 5.601 2.051 ( -4.530 2.816 -2.754) 6.003 2.132 ( -0.691 1.531 2.300) 2.848 2.252 ( -2.142 -3.077 4.739) 6.043 2.381 ( 1.750 -1.674 1.882) 3.067 2.445 ( -5.355 -1.029 -1.380) 5.625 2.508 ( -3.871 1.782 -2.641) 5.013 2.701 ( 0.205 -12.900 3.750) 13.435 2.809 ( -4.285 -5.121 0.620) 6.706 2.880 ( -1.251 -3.244 -4.689) 5.837 2.974 ( -3.711 -3.845 -0.296) 5.352 3.020 ( 4.800 -5.677 -2.906) 7.982 3.299 ( 0.978 3.000 3.276) 4.549 3.358 ( -0.970 0.028 0.783) 1.247 3.565 ( 3.273 1.235 0.916) 3.616 3.626 ( 0.485 -1.463 -1.345) 2.046 3.782 ( 9.453 9.420 1.598) 13.440 3.946 ( -3.284 9.601 3.746) 10.817 4.140 ( -2.096 4.230 1.103) 4.848 4.222 ( -2.257 2.917 1.071) 3.841 4.363 ( 3.393 -1.214 -2.543) 4.410 4.549 ( -0.894 -2.473 -3.642) 4.492 6.241 ( 0.682 2.851 6.234) 6.889 6.422 ( -1.997 0.976 3.540) 4.180 6.685 ( -0.665 3.664 2.829) 4.676 6.783 ( -0.952 4.434 -2.231) 5.054 6.899 ( -0.478 -1.681 -2.300) 2.889 6.931 ( -3.567 5.200 3.221) 7.081 7.054 ( -2.085 -1.938 -3.831) 4.773 7.071 ( -1.079 -0.140 6.751) 6.838 7.222 ( 3.165 3.266 -1.759) 4.876 7.356 ( -1.896 1.858 7.039) 7.523 7.486 ( -1.951 1.138 -0.378) 2.290 7.538 ( 0.752 6.285 -4.603) 7.827 7.655 ( 1.126 2.867 -3.738) 4.843 7.890 ( 6.076 -2.805 0.734) 6.732 8.008 ( -0.794 -2.393 4.674) 5.310 8.175 ( -4.078 0.710 2.499) 4.836 8.340 ( -3.489 -3.457 4.774) 6.849 8.508 ( 2.301 -7.581 -0.251) 7.926 8.675 ( 0.324 1.092 -2.359) 2.619 8.766 ( 1.867 -1.179 -3.445) 4.092 8.918 ( -1.820 -1.115 3.432) 4.042 9.007 ( -2.164 -3.824 -2.301) 4.959 9.199 ( 0.976 0.636 -8.683) 8.761 9.293 ( 1.401 -1.354 -4.333) 4.751 ======================= Grid point 139 (73/116) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -6.167 5.701 2.327) 8.714 1.857 ( -0.033 0.694 1.540) 1.690 1.891 ( -1.987 4.907 0.051) 5.295 2.036 ( 8.642 -3.341 -0.159) 9.267 2.096 ( -3.840 -0.449 5.740) 6.921 2.236 ( -0.592 -2.284 3.787) 4.462 2.361 ( -2.495 -2.182 -2.210) 3.984 2.404 ( -4.263 -2.086 0.093) 4.747 2.459 ( 3.390 1.261 -0.571) 3.662 2.658 ( -2.130 -5.839 0.357) 6.226 2.775 ( 0.797 -8.340 -0.109) 8.379 2.862 ( -0.648 2.069 -0.698) 2.278 2.919 ( -1.353 -5.739 -1.783) 6.160 3.109 ( 3.880 -7.463 -2.943) 8.911 3.277 ( -3.149 2.391 3.333) 5.171 3.406 ( 3.818 1.058 -0.823) 4.046 3.593 ( 0.655 0.999 -2.040) 2.364 3.671 ( 3.574 -1.121 -0.804) 3.831 3.881 ( -4.042 8.710 3.045) 10.073 3.972 ( 8.200 11.106 -0.555) 13.817 4.021 ( -7.737 9.261 6.564) 13.738 4.216 ( -0.750 0.775 -0.519) 1.197 4.409 ( 2.314 -3.388 -0.131) 4.105 4.541 ( 0.921 -0.660 -4.712) 4.846 6.267 ( -0.188 2.936 8.264) 8.772 6.427 ( 1.529 2.857 4.324) 5.403 6.646 ( -3.481 2.083 0.007) 4.057 6.718 ( -4.831 5.193 -2.727) 7.599 6.866 ( -2.117 -1.553 0.407) 2.657 6.898 ( -0.412 3.670 0.893) 3.799 7.015 ( -0.970 -3.303 -0.410) 3.467 7.089 ( 0.993 0.667 2.627) 2.887 7.261 ( -0.717 1.556 -0.619) 1.822 7.386 ( 4.651 1.616 6.102) 7.840 7.439 ( -1.489 1.839 -1.468) 2.784 7.525 ( -0.191 5.625 -3.200) 6.474 7.694 ( 1.163 5.587 -2.429) 6.202 7.953 ( -0.020 2.022 3.665) 4.186 8.049 ( 3.709 -9.472 4.113) 10.973 8.109 ( -1.966 2.429 -0.868) 3.243 8.302 ( -1.253 -2.261 5.515) 6.091 8.537 ( 1.147 -6.828 -1.618) 7.110 8.710 ( 2.946 0.960 -0.712) 3.180 8.776 ( -0.030 -0.292 -2.985) 2.999 8.862 ( -4.225 -1.941 1.547) 4.900 8.972 ( -1.205 -3.869 -2.275) 4.647 9.212 ( 2.332 -0.405 -6.830) 7.228 9.305 ( 1.252 -1.366 -5.218) 5.537 ======================= Grid point 140 (74/116) ======================= q-point: (-0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -11.537 8.061 4.541) 14.789 1.808 ( -6.438 5.105 4.306) 9.276 1.872 ( 1.526 2.849 0.726) 3.312 2.052 ( -0.792 -2.057 7.240) 7.568 2.204 ( 2.934 -1.918 2.417) 4.258 2.216 ( -0.436 -2.779 -2.295) 3.630 2.330 ( -1.731 -3.416 -0.651) 3.884 2.349 ( 1.322 -3.107 -3.157) 4.623 2.562 ( 7.541 -2.074 -1.460) 7.957 2.687 ( 3.329 -4.500 1.228) 5.730 2.783 ( -0.773 -2.756 -1.928) 3.451 2.846 ( 0.293 -0.309 2.172) 2.213 2.921 ( 2.055 -5.117 -3.125) 6.338 3.156 ( 1.951 -2.762 0.270) 3.393 3.224 ( -2.778 2.017 0.249) 3.442 3.435 ( -1.469 2.179 0.574) 2.690 3.601 ( 0.911 0.260 -2.888) 3.040 3.716 ( 0.801 -1.217 -2.508) 2.900 3.804 ( -5.643 7.951 4.837) 10.884 3.899 ( -2.636 9.854 7.283) 12.534 4.124 ( 3.608 3.735 -2.345) 5.698 4.180 ( -0.360 2.074 -0.694) 2.217 4.459 ( 2.604 -2.254 -0.277) 3.455 4.544 ( 0.169 -1.605 -3.845) 4.170 6.276 ( -1.242 3.844 10.359) 11.119 6.484 ( 1.803 1.969 3.437) 4.352 6.577 ( -1.905 2.627 -0.157) 3.248 6.613 ( -4.737 4.516 -2.121) 6.880 6.822 ( -2.378 -2.621 -0.610) 3.591 6.907 ( 0.917 3.756 1.944) 4.328 7.007 ( -1.184 -3.550 4.596) 5.927 7.103 ( -0.067 1.429 0.382) 1.481 7.245 ( 0.637 1.225 -2.017) 2.444 7.411 ( 0.127 -1.116 -4.052) 4.205 7.508 ( 0.478 4.133 -1.872) 4.562 7.541 ( 5.257 4.936 6.807) 9.916 7.658 ( -2.989 7.983 -2.377) 8.850 7.995 ( 3.531 0.042 4.842) 5.993 8.054 ( -0.471 0.658 -0.595) 1.004 8.177 ( 5.295 -6.721 2.287) 8.857 8.317 ( 1.418 -1.221 4.346) 4.731 8.552 ( 0.857 -6.042 -1.779) 6.357 8.722 ( -2.053 0.035 -2.063) 2.911 8.753 ( -4.589 -4.639 -0.018) 6.525 8.805 ( 1.469 2.004 -0.768) 2.601 8.945 ( -0.704 -2.534 -3.554) 4.421 9.242 ( 1.915 -0.202 -4.679) 5.060 9.323 ( 2.042 -1.158 -5.634) 6.104 ======================= Grid point 141 (75/116) ======================= q-point: (-0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -7.317 13.262 8.972) 17.604 1.664 ( -9.294 9.059 10.712) 16.829 1.922 ( 2.707 1.374 2.395) 3.867 2.100 ( 2.735 0.332 0.900) 2.899 2.173 ( -0.710 -2.357 0.073) 2.462 2.252 ( 1.558 -0.761 -2.728) 3.232 2.312 ( 0.726 -2.358 -3.219) 4.056 2.381 ( 1.884 -5.605 -0.885) 5.979 2.690 ( 3.483 -2.270 -0.326) 4.170 2.736 ( 1.253 -2.346 1.425) 3.018 2.741 ( -1.124 1.896 -1.582) 2.713 2.885 ( 1.883 -2.805 0.064) 3.379 2.959 ( 0.660 -4.622 -1.486) 4.899 3.161 ( -2.909 0.620 -1.205) 3.209 3.241 ( 6.897 2.366 2.608) 7.744 3.371 ( -3.619 4.975 3.458) 7.058 3.616 ( 1.350 -1.026 -2.806) 3.278 3.703 ( -3.857 3.674 3.470) 6.358 3.727 ( 0.153 2.479 -0.791) 2.606 3.889 ( -2.458 2.602 3.938) 5.322 4.087 ( -2.043 -1.175 -1.065) 2.587 4.239 ( 2.720 3.396 -2.160) 4.857 4.482 ( -2.036 -3.615 1.681) 4.476 4.537 ( 1.767 -2.097 -5.616) 6.250 6.275 ( -1.631 3.284 10.763) 11.370 6.473 ( -1.209 -1.147 0.628) 1.780 6.533 ( -2.652 1.707 -0.864) 3.270 6.636 ( 5.458 9.301 4.170) 11.563 6.777 ( -1.869 -2.763 -0.878) 3.449 6.938 ( 1.441 2.272 2.956) 3.997 6.975 ( -3.415 -0.142 8.227) 8.909 7.104 ( 0.532 0.368 -2.504) 2.587 7.271 ( 1.958 0.812 -2.070) 2.963 7.402 ( -0.440 -1.388 -5.487) 5.677 7.471 ( -2.799 6.440 -0.386) 7.032 7.609 ( 0.520 7.261 2.208) 7.607 7.659 ( 2.740 1.612 0.367) 3.200 8.061 ( 1.399 -1.604 -0.530) 2.193 8.092 ( 4.238 0.491 0.609) 4.309 8.274 ( 3.678 -3.804 3.892) 6.569 8.371 ( 2.300 -2.725 2.284) 4.234 8.561 ( 0.932 -3.444 -2.046) 4.113 8.636 ( -6.356 -4.236 1.007) 7.704 8.679 ( -1.214 -0.956 -0.293) 1.573 8.842 ( 1.898 1.148 -2.007) 2.991 8.932 ( 0.413 -1.701 -3.954) 4.324 9.258 ( 0.935 1.287 -4.690) 4.953 9.348 ( 1.576 -0.938 -4.931) 5.261 ======================= Grid point 142 (76/116) ======================= q-point: (-0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 1.420 17.190 12.376) 21.229 1.535 ( -6.460 12.936 13.235) 19.602 1.979 ( 2.274 1.740 2.759) 3.976 2.108 ( -0.563 -2.132 -1.812) 2.854 2.182 ( 0.162 1.601 2.147) 2.683 2.252 ( -0.958 0.754 -2.703) 2.966 2.371 ( 5.367 -3.100 -8.165) 10.251 2.425 ( 3.257 -7.172 2.319) 8.211 2.658 ( -4.001 6.374 5.386) 9.255 2.737 ( -0.311 -1.259 -3.767) 3.984 2.779 ( 0.656 -2.603 -1.732) 3.195 2.886 ( -1.676 -2.470 0.114) 2.987 2.950 ( 1.215 3.199 1.892) 3.910 3.137 ( 0.610 -1.650 -1.255) 2.161 3.287 ( -1.054 1.985 1.346) 2.620 3.446 ( 6.363 2.418 0.975) 6.876 3.606 ( -2.836 0.944 -0.876) 3.114 3.676 ( 1.157 2.317 2.166) 3.376 3.736 ( 0.552 1.703 -0.650) 1.905 3.829 ( -2.768 1.468 4.739) 5.681 4.072 ( 0.108 -2.760 -0.053) 2.762 4.243 ( -2.019 -2.521 -1.759) 3.678 4.408 ( -4.303 -2.284 0.744) 4.928 4.573 ( 2.683 -4.612 -5.607) 7.740 6.270 ( -1.417 2.826 9.026) 9.563 6.463 ( -0.199 4.464 -0.529) 4.500 6.522 ( 1.180 -4.801 4.967) 7.008 6.750 ( -0.176 -1.499 -1.310) 1.998 6.775 ( 6.994 8.810 4.286) 12.037 6.941 ( -1.939 2.395 9.752) 10.227 6.973 ( 1.150 0.038 2.548) 2.796 7.106 ( 0.426 -0.258 -2.309) 2.362 7.293 ( 0.493 0.717 -0.621) 1.069 7.354 ( -2.447 3.552 -3.334) 5.452 7.433 ( -1.222 1.793 -1.013) 2.395 7.636 ( 1.792 7.631 -1.761) 8.034 7.673 ( -1.426 1.065 -1.695) 2.458 8.076 ( 0.726 -3.080 -3.686) 4.858 8.138 ( -0.012 -1.002 -1.711) 1.983 8.332 ( 1.014 -2.883 2.787) 4.136 8.376 ( -1.868 -4.623 0.674) 5.031 8.518 ( -4.569 -5.209 -0.333) 6.937 8.624 ( 4.190 0.714 2.164) 4.769 8.686 ( 1.416 -0.971 2.468) 3.006 8.871 ( 1.930 0.767 -2.567) 3.302 8.945 ( 2.091 -1.309 -2.971) 3.862 9.254 ( 0.093 2.621 -5.687) 6.262 9.350 ( -0.268 -0.220 -4.251) 4.265 ======================= Grid point 143 (77/116) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 1.567 12.948 7.495) 15.043 1.841 ( 3.126 14.386 5.963) 15.884 2.024 ( 1.467 -3.991 6.775) 7.999 2.100 ( 0.370 5.419 -4.308) 6.933 2.153 ( 0.699 -6.549 0.459) 6.602 2.231 ( 0.651 -5.691 -1.449) 5.909 2.290 ( 0.971 -2.731 -0.654) 2.972 2.353 ( 2.015 -6.855 3.689) 8.042 2.697 ( -2.379 1.286 -3.803) 4.667 2.706 ( -0.598 0.175 -5.343) 5.379 2.748 ( -0.323 4.395 -5.857) 7.330 2.842 ( 0.904 -3.644 -4.408) 5.790 3.042 ( 0.542 1.503 -1.475) 2.175 3.092 ( 0.057 -3.259 -2.396) 4.045 3.460 ( -1.828 11.821 3.310) 12.411 3.527 ( 1.778 1.746 -0.593) 2.561 3.550 ( -4.367 0.338 0.087) 4.381 3.647 ( -2.467 -1.887 -0.624) 3.168 3.830 ( -3.820 2.406 4.408) 6.310 3.907 ( 4.294 -0.720 6.285) 7.646 4.003 ( -0.990 -4.348 2.891) 5.314 4.031 ( 3.143 -3.703 3.962) 6.267 4.374 ( -1.775 2.988 0.424) 3.501 4.471 ( -0.327 -6.315 -0.510) 6.344 6.346 ( -0.456 4.568 7.606) 8.884 6.449 ( 0.524 -5.742 7.179) 9.208 6.590 ( 2.019 5.791 0.882) 6.196 6.694 ( 2.025 -4.363 1.162) 4.948 6.973 ( -0.633 0.874 8.143) 8.214 6.980 ( -0.581 0.748 6.067) 6.140 7.037 ( 2.251 3.166 -0.878) 3.983 7.085 ( 0.753 -1.848 -2.944) 3.557 7.310 ( 0.251 1.018 1.365) 1.721 7.341 ( 0.923 -1.827 -0.759) 2.183 7.522 ( -1.437 8.047 -1.095) 8.247 7.623 ( -2.256 -1.528 -3.615) 4.527 7.826 ( 1.482 7.697 -4.665) 9.122 7.973 ( -0.201 -6.359 -6.674) 9.221 8.077 ( -3.786 2.626 1.109) 4.739 8.187 ( -2.361 -7.288 2.371) 8.019 8.322 ( -2.044 0.894 -0.754) 2.355 8.367 ( -2.736 -3.371 -1.576) 4.619 8.695 ( 1.317 0.527 0.232) 1.437 8.711 ( 1.272 -1.017 1.155) 1.997 8.935 ( 2.445 1.865 -0.902) 3.205 8.972 ( 3.489 -1.836 -0.041) 3.943 9.288 ( -0.314 2.062 -6.334) 6.669 9.317 ( -0.846 -0.771 -5.503) 5.621 ======================= Grid point 144 (78/116) ======================= q-point: ( 0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 2.277 12.299 4.509) 13.296 1.896 ( 0.447 13.443 5.202) 14.422 2.049 ( -0.195 0.350 -0.950) 1.031 2.110 ( 1.101 2.869 2.155) 3.753 2.154 ( -0.110 -2.638 0.936) 2.802 2.251 ( 0.756 -4.585 -0.374) 4.662 2.301 ( 0.215 -6.103 0.147) 6.109 2.381 ( 0.134 -9.488 5.087) 10.767 2.633 ( -2.931 3.877 -3.958) 6.267 2.695 ( 1.189 -2.122 -6.362) 6.811 2.720 ( -0.970 5.398 -6.475) 8.486 2.831 ( -1.206 -4.580 -3.160) 5.693 3.037 ( -0.819 -0.473 -1.880) 2.105 3.068 ( -2.460 -3.366 -1.246) 4.351 3.395 ( -2.683 5.193 0.085) 5.846 3.459 ( -4.259 -1.812 -1.363) 4.825 3.537 ( -2.935 3.660 2.572) 5.350 3.599 ( -2.318 -0.760 0.133) 2.443 3.771 ( -0.620 7.091 6.644) 9.737 3.953 ( 2.878 -8.113 3.015) 9.121 4.105 ( 4.512 3.480 6.023) 8.291 4.143 ( 6.176 -0.437 2.350) 6.623 4.356 ( 0.140 3.044 -0.980) 3.201 4.466 ( -0.066 -7.315 -0.549) 7.336 6.340 ( -1.875 5.360 5.958) 8.231 6.448 ( -1.904 -5.297 4.585) 7.260 6.663 ( 4.289 5.273 3.361) 7.583 6.760 ( 3.662 -3.389 2.471) 5.568 6.956 ( -1.885 0.948 2.533) 3.296 6.979 ( -1.187 -0.350 6.127) 6.251 7.056 ( 0.424 1.976 -2.485) 3.203 7.097 ( 0.523 -2.165 -1.276) 2.567 7.322 ( -0.133 2.384 3.299) 4.072 7.371 ( 1.346 -2.134 2.679) 3.680 7.502 ( -0.178 6.384 -1.181) 6.495 7.578 ( -0.539 -0.587 -3.073) 3.175 7.827 ( -0.192 6.816 -6.372) 9.333 7.908 ( -4.203 0.102 -7.440) 8.546 8.040 ( -1.197 1.048 1.282) 2.044 8.163 ( 0.356 -8.850 2.434) 9.186 8.291 ( -1.656 -0.831 1.269) 2.245 8.314 ( -1.986 -3.185 2.775) 4.668 8.705 ( 0.372 0.253 -2.435) 2.477 8.721 ( -0.076 -1.275 -1.360) 1.866 8.964 ( 0.221 2.857 1.119) 3.077 9.024 ( 1.012 -3.047 1.083) 3.388 9.261 ( -0.461 1.615 -7.086) 7.282 9.281 ( -0.914 -0.299 -6.295) 6.368 ======================= Grid point 145 (79/116) ======================= q-point: ( 0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -2.223 11.917 2.214) 12.323 1.913 ( 0.460 7.749 3.641) 8.574 2.029 ( -0.650 3.244 -4.570) 5.642 2.137 ( 0.639 -0.019 3.108) 3.173 2.153 ( -0.988 -0.408 1.819) 2.110 2.222 ( -3.907 -8.811 -0.522) 9.652 2.310 ( 1.331 0.020 3.335) 3.591 2.419 ( 2.301 -9.427 5.489) 11.149 2.566 ( -3.177 5.377 -2.373) 6.681 2.660 ( -2.734 3.709 -6.526) 7.988 2.718 ( 1.237 -5.648 -7.112) 9.166 2.785 ( -2.185 -5.023 -4.220) 6.915 2.995 ( -2.880 -1.177 -1.039) 3.280 3.002 ( -3.263 -1.466 0.188) 3.582 3.350 ( -1.994 2.452 0.032) 3.160 3.383 ( -2.806 -0.865 1.510) 3.302 3.519 ( 1.555 1.513 -0.266) 2.186 3.571 ( 0.208 -3.315 -1.522) 3.654 3.845 ( 5.246 11.392 6.300) 14.036 4.033 ( 4.079 -6.843 1.791) 8.165 4.152 ( -0.585 7.099 5.979) 9.300 4.244 ( 2.610 -1.911 3.012) 4.421 4.374 ( 1.503 3.381 -1.114) 3.864 4.467 ( 0.557 -6.072 -1.323) 6.239 6.317 ( -1.517 5.046 4.829) 7.147 6.414 ( -2.184 -4.411 3.455) 6.014 6.748 ( 2.802 5.145 4.257) 7.242 6.827 ( 2.221 -1.192 2.460) 3.522 6.923 ( -1.717 1.605 0.193) 2.358 6.968 ( -1.147 -1.444 2.947) 3.476 7.058 ( 0.212 0.271 -2.051) 2.079 7.085 ( -0.681 -2.032 -2.611) 3.378 7.310 ( -1.971 4.653 4.033) 6.466 7.381 ( -1.583 -2.073 4.405) 5.119 7.517 ( 1.764 4.638 1.939) 5.327 7.609 ( 3.922 -2.245 -0.955) 4.618 7.759 ( -4.349 3.393 -8.024) 9.737 7.798 ( -5.056 0.899 -6.167) 8.025 8.045 ( 1.970 5.845 2.959) 6.841 8.216 ( 2.122 -6.964 5.488) 9.117 8.263 ( -0.589 -1.999 0.707) 2.200 8.305 ( -0.471 -4.513 3.988) 6.041 8.705 ( -0.004 -0.057 -3.577) 3.578 8.712 ( 0.629 -0.747 -3.099) 3.249 8.949 ( -1.969 2.297 1.966) 3.608 9.006 ( -2.762 -3.202 0.178) 4.232 9.237 ( -0.030 1.308 -7.725) 7.835 9.260 ( 0.441 -0.877 -6.292) 6.368 ======================= Grid point 146 (80/116) ======================= q-point: ( 0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 0.559 5.966 1.262) 6.123 1.900 ( -2.392 0.366 1.748) 2.986 2.003 ( -1.222 5.812 -3.322) 6.805 2.101 ( -4.212 0.962 -2.606) 5.045 2.142 ( -2.356 -1.115 3.583) 4.431 2.162 ( -0.085 -5.423 3.420) 6.412 2.356 ( 0.959 1.923 5.903) 6.282 2.448 ( -2.536 -4.704 2.933) 6.096 2.514 ( -0.478 2.572 -1.626) 3.080 2.598 ( -0.794 3.797 -5.143) 6.442 2.667 ( -4.255 -7.280 -3.002) 8.951 2.743 ( -0.229 -8.040 -8.196) 11.483 2.946 ( -1.560 1.045 -0.153) 1.884 2.973 ( 0.550 -1.405 -1.094) 1.864 3.348 ( 0.970 1.679 1.746) 2.610 3.362 ( 0.495 0.073 0.847) 0.984 3.569 ( 2.994 0.067 -1.182) 3.219 3.588 ( 1.575 -1.817 -0.948) 2.585 3.978 ( 6.643 8.775 2.816) 11.360 4.088 ( -0.421 0.547 1.201) 1.385 4.159 ( 1.487 3.035 4.644) 5.744 4.255 ( -1.864 -3.034 4.717) 5.911 4.385 ( -0.381 4.656 -0.129) 4.673 4.482 ( 1.141 -4.237 -2.017) 4.829 6.316 ( 0.138 4.311 5.413) 6.921 6.396 ( -0.400 -3.235 3.943) 5.116 6.779 ( -0.741 5.233 3.667) 6.433 6.851 ( -0.143 0.187 0.365) 0.434 6.883 ( -2.570 0.838 -1.641) 3.162 6.928 ( -4.220 -3.058 1.261) 5.363 7.050 ( 1.063 1.839 -3.774) 4.331 7.087 ( 0.327 -0.774 -0.091) 0.846 7.288 ( -0.324 3.391 1.852) 3.878 7.345 ( -2.745 -2.172 5.225) 6.289 7.548 ( -0.808 6.002 3.280) 6.887 7.660 ( -2.525 3.912 -5.463) 7.178 7.706 ( 2.603 -1.176 -3.358) 4.408 7.732 ( 3.560 -7.090 3.034) 8.494 8.096 ( 0.790 8.791 3.091) 9.352 8.217 ( -1.943 3.132 1.694) 4.057 8.255 ( -2.008 -5.197 4.821) 7.368 8.334 ( 2.420 -9.109 0.272) 9.429 8.703 ( 1.358 1.595 -3.099) 3.741 8.736 ( 2.298 -1.668 -3.343) 4.386 8.908 ( -2.741 0.444 2.201) 3.543 8.940 ( -3.392 -2.681 -0.214) 4.329 9.221 ( 0.524 1.576 -8.003) 8.173 9.258 ( 0.943 -1.995 -6.497) 6.862 ======================= Grid point 147 (81/116) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -1.047 1.394 0.692) 1.876 1.881 ( 2.023 -2.129 2.102) 3.611 1.936 ( -4.998 4.550 -0.351) 6.768 2.006 ( -4.930 -0.887 0.025) 5.009 2.131 ( 1.519 2.635 4.245) 5.222 2.192 ( 1.868 -2.817 1.697) 3.782 2.327 ( -4.791 0.712 3.656) 6.068 2.372 ( -4.796 -2.522 -0.121) 5.420 2.505 ( 1.102 4.388 -4.511) 6.389 2.616 ( 2.304 2.198 -1.835) 3.675 2.631 ( 1.951 -6.526 -1.950) 7.085 2.736 ( 1.429 -9.408 -5.681) 11.082 2.929 ( -0.315 3.297 -0.799) 3.407 2.998 ( 2.085 -3.841 -2.591) 5.081 3.351 ( -0.722 3.961 2.950) 4.992 3.407 ( 2.445 -1.299 0.212) 2.777 3.606 ( 1.417 0.666 -1.888) 2.452 3.633 ( 2.660 -2.031 -0.989) 3.490 4.031 ( -4.216 5.701 2.315) 7.459 4.081 ( 0.253 1.600 1.475) 2.191 4.195 ( 1.361 3.589 3.576) 5.246 4.245 ( -0.324 0.780 3.830) 3.922 4.377 ( 0.521 3.381 0.904) 3.538 4.490 ( 0.165 -4.720 -1.820) 5.062 6.343 ( 0.630 4.293 7.009) 8.243 6.421 ( 1.436 -2.929 5.238) 6.171 6.731 ( -4.309 5.735 -0.488) 7.190 6.789 ( -5.304 1.472 -4.958) 7.409 6.833 ( -2.269 -0.882 -0.359) 2.461 6.872 ( -0.253 -4.963 2.127) 5.405 7.051 ( -1.555 4.360 2.461) 5.242 7.098 ( 0.853 -0.334 0.766) 1.195 7.288 ( -0.724 1.616 0.665) 1.891 7.342 ( 1.807 -3.584 -0.178) 4.017 7.531 ( 0.068 5.780 2.985) 6.505 7.604 ( -1.356 0.500 -1.039) 1.780 7.791 ( 5.464 2.989 0.685) 6.266 7.868 ( 7.412 -6.383 4.915) 10.947 8.057 ( -4.586 7.158 1.170) 8.581 8.147 ( -4.353 0.084 -2.483) 5.012 8.265 ( 1.428 0.159 4.752) 4.964 8.371 ( 1.511 -8.854 0.161) 8.984 8.735 ( 1.575 1.378 -2.148) 3.000 8.761 ( 0.270 -1.128 -2.584) 2.832 8.852 ( -2.655 1.004 1.056) 3.028 8.898 ( -0.858 -3.295 -0.201) 3.411 9.222 ( 1.751 1.462 -7.456) 7.797 9.264 ( 1.495 -2.422 -6.688) 7.268 ======================= Grid point 148 (82/116) ======================= q-point: (-0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -6.360 8.789 4.557) 11.767 1.874 ( -1.368 2.664 1.309) 3.268 1.914 ( -1.624 -1.643 2.446) 3.365 1.965 ( 2.997 -5.356 3.208) 6.926 2.188 ( 0.177 1.090 1.302) 1.707 2.227 ( 0.496 1.701 0.644) 1.885 2.242 ( -1.434 -2.425 2.317) 3.648 2.293 ( -2.593 -3.630 -2.112) 4.935 2.560 ( 6.017 3.850 -5.589) 9.070 2.672 ( 2.853 0.919 -1.346) 3.286 2.683 ( 4.114 -4.802 -2.716) 6.882 2.763 ( 2.350 -7.684 -4.211) 9.072 2.928 ( 0.570 4.826 -0.792) 4.924 3.034 ( 2.379 -5.875 -3.188) 7.095 3.346 ( -0.204 6.341 2.609) 6.859 3.438 ( 0.538 -2.282 0.533) 2.405 3.616 ( 0.166 1.599 -2.443) 2.925 3.665 ( 0.948 -3.020 -2.144) 3.823 3.943 ( -5.139 5.557 3.796) 8.468 4.012 ( -5.853 -0.362 4.843) 7.605 4.204 ( -4.316 5.674 2.681) 7.616 4.253 ( 1.964 2.405 0.996) 3.261 4.419 ( 2.251 -0.243 2.007) 3.026 4.483 ( -0.197 -4.489 -1.632) 4.781 6.360 ( -1.188 4.370 8.106) 9.285 6.443 ( -1.520 -3.775 4.716) 6.229 6.660 ( -2.280 3.453 -1.962) 4.579 6.687 ( -2.317 1.302 -3.194) 4.155 6.805 ( -0.614 2.185 0.443) 2.313 6.891 ( 1.383 -4.808 1.722) 5.291 7.026 ( -1.784 4.514 6.126) 7.816 7.099 ( -1.234 -2.064 3.459) 4.212 7.287 ( 0.958 3.148 -2.830) 4.341 7.361 ( 0.647 -3.653 -4.374) 5.735 7.576 ( 2.378 3.002 1.944) 4.295 7.608 ( 1.734 0.660 2.497) 3.111 7.852 ( -1.555 10.320 -1.161) 10.501 8.008 ( 1.588 0.841 3.791) 4.195 8.030 ( 7.188 -5.757 5.251) 10.601 8.060 ( -2.681 -2.161 -3.456) 4.878 8.315 ( 2.535 1.610 2.590) 3.966 8.404 ( 1.957 -7.150 0.116) 7.414 8.712 ( -4.014 -0.342 -0.690) 4.088 8.716 ( -2.994 -0.462 -1.649) 3.449 8.847 ( 1.434 2.182 -1.457) 2.990 8.893 ( 0.443 -2.507 -2.549) 3.603 9.249 ( 2.609 1.144 -6.022) 6.662 9.286 ( 2.374 -2.207 -6.143) 6.946 ======================= Grid point 149 (83/116) ======================= q-point: (-0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -2.145 13.346 6.279) 14.905 1.826 ( -3.223 4.807 6.165) 8.456 1.939 ( 1.594 -0.401 4.588) 4.874 2.047 ( 3.775 -8.081 4.309) 9.906 2.130 ( -2.171 2.835 -3.458) 4.971 2.244 ( 0.258 -3.816 -2.107) 4.367 2.257 ( 0.627 -1.390 1.251) 1.973 2.265 ( 0.355 -2.888 -1.518) 3.282 2.677 ( 5.588 1.914 -4.896) 7.672 2.716 ( 2.257 -0.310 -3.474) 4.154 2.744 ( 2.174 -0.497 -2.354) 3.242 2.805 ( 2.752 -5.517 -4.410) 7.580 2.958 ( 2.890 4.719 -0.722) 5.580 3.075 ( 2.397 -6.173 -3.211) 7.359 3.363 ( 1.495 6.071 0.926) 6.320 3.434 ( -0.274 -0.225 0.107) 0.370 3.617 ( 1.101 1.916 -0.986) 2.420 3.678 ( 1.514 -3.163 -1.103) 3.676 3.852 ( -5.568 5.802 5.232) 9.594 3.917 ( -5.193 -0.678 5.474) 7.576 4.115 ( -5.039 5.070 2.503) 7.574 4.239 ( -3.879 -4.557 1.541) 6.180 4.439 ( -0.736 0.571 1.824) 2.048 4.484 ( 0.442 -2.960 -1.269) 3.251 6.341 ( -2.284 3.250 7.455) 8.448 6.407 ( -2.012 -3.530 4.440) 6.018 6.609 ( -1.779 4.134 -2.032) 4.938 6.684 ( -0.073 -3.296 1.094) 3.474 6.832 ( 3.528 6.528 1.010) 7.489 6.927 ( 1.434 -2.986 3.095) 4.533 7.015 ( -1.303 3.561 7.423) 8.335 7.083 ( -0.994 -2.594 3.528) 4.491 7.302 ( 1.193 2.267 -3.785) 4.571 7.355 ( 0.152 -2.798 -4.972) 5.707 7.596 ( -0.575 4.804 -0.051) 4.839 7.657 ( 1.510 -1.480 1.432) 2.554 7.793 ( -1.583 10.647 -1.693) 10.897 7.987 ( -1.351 -7.103 -3.883) 8.207 8.114 ( 3.983 1.941 4.202) 6.107 8.175 ( 4.977 -4.382 5.240) 8.451 8.365 ( 1.724 1.736 -0.514) 2.500 8.439 ( 1.123 -5.710 -1.644) 6.047 8.630 ( -2.831 1.281 0.834) 3.217 8.658 ( -1.900 -1.294 0.160) 2.305 8.869 ( 1.309 1.395 -2.882) 3.460 8.898 ( 0.963 -1.589 -3.746) 4.182 9.283 ( 2.130 1.468 -5.340) 5.934 9.318 ( 2.134 -1.840 -5.284) 5.988 ======================= Grid point 150 (84/116) ======================= q-point: (-0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 2.214 14.206 7.405) 16.172 1.797 ( -1.103 11.461 7.488) 13.735 1.979 ( 1.064 -3.132 7.622) 8.309 2.104 ( 0.580 2.611 -3.861) 4.697 2.119 ( 2.178 -8.169 0.834) 8.495 2.238 ( -0.249 -5.890 -2.741) 6.501 2.269 ( 1.158 -1.012 -1.339) 2.039 2.296 ( 2.457 -3.489 1.848) 4.650 2.723 ( 0.922 0.994 -3.730) 3.968 2.727 ( -0.007 0.569 -4.357) 4.394 2.767 ( 0.428 1.349 -4.714) 4.922 2.829 ( 1.310 -3.643 -4.490) 5.929 3.019 ( 2.554 3.397 -0.894) 4.343 3.094 ( 0.442 -3.520 -2.773) 4.503 3.404 ( 3.079 7.248 0.863) 7.922 3.479 ( 4.517 -0.266 -2.140) 5.005 3.636 ( -2.334 3.124 1.868) 4.324 3.701 ( -0.612 -1.522 -0.203) 1.653 3.791 ( 0.959 4.513 4.564) 6.490 3.848 ( -2.045 -0.191 6.666) 6.975 4.034 ( -3.682 0.109 2.729) 4.585 4.124 ( -7.880 -7.771 2.876) 11.435 4.413 ( -2.102 2.257 1.162) 3.296 4.481 ( -0.429 -4.319 -0.733) 4.402 6.331 ( -0.539 3.357 7.418) 8.160 6.410 ( 0.695 -4.626 6.958) 8.384 6.581 ( -0.672 5.379 -0.764) 5.475 6.678 ( -0.305 -4.305 0.843) 4.397 6.923 ( 4.400 4.304 2.325) 6.580 6.958 ( 0.523 -0.219 6.685) 6.709 7.012 ( -0.528 3.370 5.474) 6.450 7.080 ( 0.107 -2.618 0.185) 2.626 7.309 ( 0.228 1.142 -1.691) 2.053 7.343 ( -0.179 -2.097 -3.718) 4.273 7.561 ( -2.228 7.416 -0.797) 7.784 7.662 ( -0.846 -2.557 -1.396) 3.033 7.799 ( 1.920 8.838 -2.631) 9.419 7.975 ( 0.803 -7.628 -4.686) 8.988 8.144 ( -1.930 2.167 1.566) 3.298 8.224 ( -1.130 -5.520 3.124) 6.443 8.362 ( -1.184 1.437 -2.877) 3.427 8.417 ( -2.003 -4.127 -2.672) 5.309 8.645 ( 2.824 1.240 2.943) 4.263 8.669 ( 2.046 -1.006 2.599) 3.457 8.892 ( 2.096 1.195 -2.814) 3.706 8.918 ( 2.179 -1.374 -2.977) 3.937 9.299 ( 0.847 1.964 -5.650) 6.041 9.333 ( 0.662 -1.374 -5.000) 5.228 ======================= Grid point 175 (85/116) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 3.258 0.000 18.227) 18.516 1.582 ( -1.977 0.000 16.902) 17.017 1.820 ( -1.472 0.000 -12.657) 12.743 1.915 ( -0.377 0.000 -11.774) 11.780 2.124 ( -4.425 0.000 6.809) 8.121 2.263 ( 3.313 0.000 -5.979) 6.836 2.446 ( -1.506 0.000 4.212) 4.473 2.539 ( 1.129 0.000 0.493) 1.232 2.675 ( -6.088 0.000 11.849) 13.321 2.772 ( 8.237 0.000 0.614) 8.259 2.945 ( 0.058 0.000 2.394) 2.395 3.046 ( 0.789 0.000 -3.394) 3.484 3.047 ( 0.627 0.000 6.890) 6.918 3.197 ( -1.168 0.000 -1.830) 2.172 3.233 ( 2.665 0.000 0.667) 2.747 3.323 ( -0.043 0.000 -9.707) 9.707 3.503 ( -1.732 0.000 1.782) 2.485 3.551 ( -0.457 0.000 -2.598) 2.638 3.832 ( -2.581 0.000 2.456) 3.563 3.857 ( 3.660 0.000 2.062) 4.202 4.128 ( -2.533 0.000 6.287) 6.778 4.249 ( 4.713 0.000 -4.135) 6.269 4.301 ( -8.575 0.000 0.161) 8.577 4.468 ( 4.853 0.000 -13.671) 14.507 6.239 ( -2.550 0.000 3.386) 4.239 6.300 ( 1.772 0.000 -2.404) 2.987 6.650 ( 3.796 0.000 -0.698) 3.859 6.661 ( -1.163 0.000 -2.257) 2.538 6.935 ( 0.786 0.000 8.598) 8.633 7.069 ( -0.476 0.000 3.672) 3.702 7.079 ( -0.226 0.000 -4.695) 4.700 7.154 ( 2.374 0.000 -4.537) 5.121 7.199 ( 3.567 0.000 4.472) 5.720 7.294 ( -6.147 0.000 -5.110) 7.994 7.344 ( 1.037 0.000 14.411) 14.448 7.496 ( -1.394 0.000 8.725) 8.836 7.524 ( 3.844 0.000 -4.061) 5.592 7.786 ( -6.098 0.000 -16.098) 17.215 8.264 ( -0.838 0.000 7.843) 7.887 8.441 ( -1.548 0.000 -7.099) 7.266 8.585 ( 3.767 0.000 2.832) 4.713 8.633 ( -0.455 0.000 -0.822) 0.940 8.667 ( 2.283 0.000 3.191) 3.923 8.759 ( -4.143 0.000 -3.229) 5.253 8.872 ( -1.103 0.000 5.540) 5.649 9.002 ( 4.234 0.000 -5.406) 6.867 9.125 ( 4.154 0.000 2.883) 5.056 9.200 ( -4.700 0.000 -3.655) 5.954 ======================= Grid point 176 (86/116) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -1.701 0.000 16.675) 16.761 1.596 ( -0.510 0.000 1.985) 2.050 1.776 ( 0.748 0.000 -0.181) 0.769 1.906 ( 2.254 0.000 -10.813) 11.046 2.081 ( -1.284 0.000 6.280) 6.410 2.291 ( 1.038 0.000 -5.378) 5.477 2.450 ( 0.787 0.000 5.453) 5.509 2.548 ( -1.987 0.000 -2.384) 3.103 2.653 ( 3.169 0.000 4.985) 5.907 2.907 ( 3.089 0.000 1.610) 3.483 2.955 ( 0.162 0.000 4.377) 4.380 3.044 ( 0.229 0.000 -2.752) 2.761 3.093 ( 2.245 0.000 7.127) 7.472 3.180 ( 0.165 0.000 -5.752) 5.754 3.315 ( 1.393 0.000 -5.811) 5.976 3.318 ( 5.692 0.000 0.307) 5.701 3.478 ( -1.081 0.000 3.058) 3.243 3.540 ( -0.457 0.000 -2.077) 2.127 3.765 ( -4.722 0.000 2.029) 5.139 3.906 ( 0.688 0.000 -2.425) 2.521 4.063 ( -5.117 0.000 8.363) 9.804 4.153 ( -5.397 0.000 -0.894) 5.470 4.246 ( -3.568 0.000 -5.462) 6.523 4.526 ( 3.612 0.000 -8.070) 8.841 6.222 ( -0.125 0.000 3.701) 3.703 6.343 ( 3.025 0.000 -1.380) 3.325 6.634 ( -0.863 0.000 -3.717) 3.816 6.711 ( 3.030 0.000 -3.104) 4.338 6.894 ( -6.414 0.000 5.644) 8.544 7.027 ( -1.954 0.000 -5.225) 5.578 7.068 ( -1.829 0.000 5.679) 5.966 7.126 ( -3.849 0.000 -5.085) 6.377 7.237 ( 0.720 0.000 -2.394) 2.500 7.260 ( -0.071 0.000 6.079) 6.079 7.403 ( 5.875 0.000 8.127) 10.028 7.547 ( -4.711 0.000 -12.985) 13.813 7.565 ( 2.450 0.000 14.872) 15.073 7.672 ( 2.746 0.000 -5.950) 6.553 8.262 ( -1.780 0.000 9.965) 10.123 8.389 ( -2.079 0.000 -4.991) 5.407 8.603 ( -0.999 0.000 -5.329) 5.422 8.641 ( -0.627 0.000 4.410) 4.454 8.674 ( -2.298 0.000 -3.646) 4.310 8.734 ( 2.745 0.000 4.303) 5.104 8.890 ( 2.487 0.000 0.959) 2.665 9.044 ( 1.745 0.000 -6.257) 6.496 9.086 ( -5.606 0.000 -3.406) 6.559 9.219 ( 3.998 0.000 2.600) 4.769 ======================= Grid point 177 (87/116) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 2.767 0.000 9.939) 10.317 1.582 ( 1.652 0.000 -9.340) 9.485 1.856 ( 4.729 0.000 9.566) 10.670 1.930 ( 2.114 0.000 -6.853) 7.172 2.093 ( 0.658 0.000 4.468) 4.516 2.282 ( -0.380 0.000 -4.932) 4.946 2.484 ( -3.643 0.000 0.639) 3.698 2.509 ( 3.492 0.000 7.134) 7.943 2.763 ( 6.170 0.000 -3.848) 7.271 2.836 ( -9.499 0.000 0.565) 9.516 2.988 ( 2.563 0.000 5.994) 6.519 3.037 ( -1.999 0.000 -0.992) 2.232 3.156 ( 2.383 0.000 2.927) 3.774 3.193 ( 3.170 0.000 -4.655) 5.632 3.343 ( 1.436 0.000 1.607) 2.155 3.435 ( 5.131 0.000 -0.601) 5.166 3.474 ( -0.590 0.000 4.155) 4.197 3.513 ( -1.408 0.000 -2.368) 2.755 3.672 ( -4.791 0.000 1.959) 5.176 3.870 ( -2.498 0.000 -5.145) 5.719 3.966 ( -6.256 0.000 6.056) 8.707 4.114 ( -7.939 0.000 -3.176) 8.550 4.149 ( 5.191 0.000 -3.523) 6.274 4.548 ( 0.002 0.000 -3.904) 3.904 6.253 ( 2.169 0.000 4.024) 4.572 6.400 ( 2.628 0.000 0.297) 2.644 6.611 ( -0.181 0.000 -5.749) 5.752 6.719 ( -4.539 0.000 -0.937) 4.634 6.796 ( -0.869 0.000 1.300) 1.564 6.997 ( -0.047 0.000 -4.539) 4.539 7.004 ( -5.228 0.000 8.362) 9.862 7.067 ( -0.695 0.000 -2.926) 3.007 7.228 ( -1.273 0.000 -1.095) 1.679 7.298 ( 1.710 0.000 3.684) 4.061 7.388 ( -5.330 0.000 -13.328) 14.354 7.533 ( 3.769 0.000 7.901) 8.754 7.624 ( 0.044 0.000 11.416) 11.416 7.760 ( 5.286 0.000 -4.772) 7.121 8.244 ( -2.677 0.000 10.590) 10.923 8.335 ( -2.336 0.000 -2.917) 3.737 8.570 ( -4.435 0.000 2.016) 4.872 8.581 ( 0.588 0.000 -6.859) 6.884 8.667 ( -0.537 0.000 0.735) 0.911 8.783 ( 1.026 0.000 3.085) 3.251 8.958 ( 2.137 0.000 -7.411) 7.713 9.001 ( 0.137 0.000 3.546) 3.549 9.040 ( -0.509 0.000 -5.720) 5.743 9.280 ( 1.712 0.000 0.401) 1.759 ======================= Grid point 178 (88/116) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 4.998 0.000 -5.774) 7.637 1.677 ( 6.824 0.000 2.026) 7.118 1.953 ( 2.259 0.000 -2.092) 3.079 1.965 ( 3.280 0.000 8.033) 8.677 2.121 ( 1.206 0.000 2.938) 3.176 2.258 ( -0.813 0.000 -4.664) 4.735 2.422 ( -2.432 0.000 0.685) 2.526 2.548 ( -8.937 0.000 5.522) 10.505 2.684 ( 3.002 0.000 4.258) 5.209 2.831 ( 1.644 0.000 -2.207) 2.752 2.966 ( -4.591 0.000 -0.122) 4.593 3.096 ( 5.827 0.000 4.611) 7.431 3.175 ( -0.834 0.000 -4.777) 4.849 3.248 ( 2.192 0.000 -2.748) 3.515 3.349 ( -1.254 0.000 2.127) 2.469 3.411 ( -4.117 0.000 -4.057) 5.780 3.486 ( 0.516 0.000 7.225) 7.243 3.555 ( 3.794 0.000 -0.680) 3.854 3.624 ( 0.211 0.000 1.928) 1.939 3.752 ( -8.653 0.000 7.064) 11.170 3.941 ( 3.401 0.000 -10.911) 11.429 3.951 ( -7.887 0.000 1.617) 8.051 4.277 ( 7.893 0.000 -3.145) 8.497 4.506 ( -3.392 0.000 -2.133) 4.007 6.321 ( 3.456 0.000 4.592) 5.747 6.435 ( 0.198 0.000 3.485) 3.490 6.596 ( -6.033 0.000 -0.343) 6.043 6.601 ( 0.925 0.000 -7.680) 7.736 6.815 ( 0.411 0.000 3.523) 3.547 6.945 ( -2.098 0.000 4.828) 5.264 6.980 ( -1.358 0.000 -2.165) 2.556 7.063 ( 0.732 0.000 -7.808) 7.843 7.230 ( 3.236 0.000 3.001) 4.413 7.300 ( -1.289 0.000 -6.847) 6.967 7.310 ( -1.313 0.000 1.243) 1.808 7.587 ( 0.236 0.000 9.800) 9.803 7.606 ( -4.541 0.000 3.578) 5.781 7.830 ( 3.453 0.000 -7.558) 8.309 8.216 ( -2.685 0.000 9.152) 9.538 8.292 ( -1.113 0.000 -1.676) 2.012 8.514 ( -2.298 0.000 5.748) 6.191 8.593 ( 2.356 0.000 -6.778) 7.175 8.655 ( -0.367 0.000 0.688) 0.779 8.783 ( -1.582 0.000 0.741) 1.747 8.938 ( 0.085 0.000 -3.054) 3.055 9.003 ( -1.712 0.000 -4.706) 5.007 9.097 ( 5.637 0.000 0.769) 5.690 9.286 ( -0.939 0.000 -1.403) 1.688 ======================= Grid point 179 (89/116) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -6.068 0.000 0.636) 6.101 1.701 ( 1.548 0.000 -0.052) 1.549 1.987 ( -3.464 0.000 4.782) 5.904 2.050 ( 5.418 0.000 2.063) 5.797 2.160 ( 2.452 0.000 -1.339) 2.794 2.230 ( -0.697 0.000 -4.687) 4.739 2.389 ( -3.203 0.000 1.959) 3.754 2.431 ( 5.232 0.000 -0.835) 5.298 2.829 ( -1.810 0.000 1.541) 2.377 2.851 ( 4.150 0.000 0.685) 4.206 2.874 ( 0.026 0.000 8.698) 8.698 3.083 ( -5.074 0.000 -8.237) 9.675 3.159 ( -2.666 0.000 4.322) 5.078 3.210 ( -5.811 0.000 3.839) 6.964 3.352 ( 1.357 0.000 -2.165) 2.555 3.375 ( 2.390 0.000 -2.646) 3.565 3.513 ( -0.023 0.000 6.281) 6.281 3.597 ( 0.022 0.000 2.619) 2.619 3.639 ( -3.350 0.000 3.411) 4.781 3.690 ( 4.218 0.000 -1.072) 4.352 3.844 ( -1.337 0.000 0.637) 1.481 3.991 ( 3.875 0.000 -9.321) 10.095 4.413 ( -5.302 0.000 -2.686) 5.943 4.416 ( 6.710 0.000 -2.815) 7.277 6.397 ( 2.583 0.000 5.284) 5.882 6.428 ( -2.029 0.000 8.098) 8.348 6.495 ( -4.104 0.000 -3.246) 5.233 6.609 ( 2.237 0.000 -8.668) 8.952 6.821 ( -1.377 0.000 10.804) 10.891 6.922 ( -3.600 0.000 -2.056) 4.146 6.947 ( 1.497 0.000 -1.665) 2.239 7.073 ( 2.771 0.000 -9.109) 9.521 7.265 ( -3.289 0.000 0.918) 3.415 7.291 ( 1.505 0.000 -1.965) 2.475 7.366 ( 8.193 0.000 5.093) 9.647 7.474 ( -7.999 0.000 -3.218) 8.622 7.610 ( -0.766 0.000 12.059) 12.083 7.858 ( 1.966 0.000 -9.157) 9.366 8.199 ( -0.933 0.000 7.228) 7.288 8.293 ( 1.759 0.000 -2.038) 2.692 8.484 ( -2.945 0.000 7.409) 7.973 8.631 ( 2.996 0.000 -6.104) 6.799 8.680 ( 2.631 0.000 2.236) 3.453 8.727 ( -3.827 0.000 -1.398) 4.074 8.948 ( 1.229 0.000 -1.481) 1.925 8.955 ( -2.070 0.000 -3.238) 3.843 9.199 ( 4.540 0.000 0.257) 4.548 9.239 ( -3.119 0.000 -2.729) 4.144 ======================= Grid point 180 (90/116) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -11.345 0.000 5.169) 12.467 1.684 ( -2.373 0.000 1.658) 2.894 1.899 ( -4.885 0.000 1.838) 5.220 2.102 ( -0.060 0.000 0.564) 0.567 2.175 ( -0.101 0.000 -2.387) 2.390 2.210 ( -0.168 0.000 -4.627) 4.630 2.427 ( 4.488 0.000 0.295) 4.497 2.628 ( 12.326 0.000 -1.435) 12.409 2.735 ( -8.150 0.000 5.861) 10.039 2.758 ( -5.163 0.000 -0.183) 5.167 2.990 ( -2.362 0.000 -2.817) 3.676 3.063 ( 4.456 0.000 2.612) 5.165 3.077 ( -6.393 0.000 10.457) 12.257 3.120 ( 0.303 0.000 6.217) 6.224 3.364 ( 0.204 0.000 0.178) 0.270 3.401 ( -1.844 0.000 -1.428) 2.333 3.518 ( -0.326 0.000 1.701) 1.732 3.613 ( 2.816 0.000 0.609) 2.881 3.631 ( 1.145 0.000 1.104) 1.591 3.683 ( -1.977 0.000 0.882) 2.165 3.958 ( 9.456 0.000 -4.832) 10.619 4.038 ( 3.069 0.000 -5.519) 6.315 4.301 ( -4.167 0.000 -6.237) 7.501 4.510 ( 3.309 0.000 -2.246) 3.999 6.396 ( -3.483 0.000 0.268) 3.494 6.425 ( -1.348 0.000 4.196) 4.407 6.436 ( -0.673 0.000 5.762) 5.801 6.656 ( 4.662 0.000 -6.296) 7.834 6.826 ( -1.078 0.000 11.791) 11.840 6.852 ( -2.471 0.000 -2.370) 3.424 6.984 ( 2.696 0.000 -1.716) 3.196 7.115 ( 3.520 0.000 -8.126) 8.856 7.186 ( -5.468 0.000 3.401) 6.440 7.331 ( -4.575 0.000 -4.383) 6.336 7.335 ( 2.911 0.000 -1.324) 3.198 7.527 ( 6.039 0.000 4.044) 7.268 7.618 ( -1.556 0.000 11.445) 11.550 7.879 ( 3.069 0.000 -10.013) 10.473 8.216 ( 0.706 0.000 5.884) 5.926 8.348 ( 4.479 0.000 -3.275) 5.549 8.446 ( -2.387 0.000 6.921) 7.321 8.627 ( -3.434 0.000 -4.163) 5.396 8.683 ( 1.409 0.000 -2.162) 2.581 8.750 ( 3.244 0.000 3.555) 4.812 8.907 ( -2.093 0.000 -1.913) 2.836 8.964 ( 0.330 0.000 -0.901) 0.959 9.160 ( -3.850 0.000 -3.784) 5.399 9.270 ( 2.665 0.000 -0.351) 2.688 ======================= Grid point 181 (91/116) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -6.600 0.000 11.776) 13.499 1.657 ( -1.751 0.000 5.351) 5.630 1.829 ( -1.354 0.000 -3.269) 3.538 2.057 ( -2.995 0.000 -7.267) 7.860 2.177 ( 0.036 0.000 3.410) 3.410 2.200 ( 0.491 0.000 -4.947) 4.971 2.512 ( 3.377 0.000 -1.934) 3.891 2.602 ( -5.931 0.000 8.530) 10.390 2.637 ( -4.921 0.000 -1.909) 5.278 2.838 ( 5.983 0.000 1.845) 6.261 2.933 ( -6.225 0.000 15.872) 17.049 3.008 ( -1.136 0.000 2.112) 2.399 3.040 ( -1.129 0.000 0.151) 1.139 3.229 ( 3.029 0.000 -0.993) 3.187 3.307 ( -6.192 0.000 2.594) 6.713 3.374 ( 0.116 0.000 4.212) 4.213 3.512 ( 0.156 0.000 -1.586) 1.594 3.621 ( -0.931 0.000 -8.119) 8.173 3.678 ( 3.341 0.000 1.770) 3.780 3.752 ( 7.011 0.000 1.249) 7.121 4.064 ( 1.430 0.000 0.603) 1.552 4.085 ( 2.568 0.000 -1.084) 2.788 4.285 ( 6.252 0.000 -14.621) 15.901 4.525 ( -1.335 0.000 -1.414) 1.945 6.328 ( -2.496 0.000 -2.997) 3.900 6.376 ( -4.094 0.000 2.936) 5.038 6.477 ( 2.622 0.000 7.915) 8.338 6.714 ( 0.674 0.000 -2.320) 2.416 6.842 ( -0.075 0.000 10.383) 10.383 6.856 ( 4.999 0.000 -3.313) 5.997 7.026 ( 0.440 0.000 0.184) 0.477 7.120 ( -0.102 0.000 8.063) 8.064 7.159 ( 2.540 0.000 -6.158) 6.661 7.263 ( -2.520 0.000 -1.421) 2.893 7.374 ( 1.498 0.000 -3.479) 3.788 7.593 ( -0.020 0.000 -0.879) 0.880 7.605 ( -2.656 0.000 9.454) 9.820 7.916 ( 2.828 0.000 -11.817) 12.150 8.244 ( 0.386 0.000 5.370) 5.384 8.434 ( 4.693 0.000 -6.020) 7.633 8.444 ( 0.754 0.000 6.083) 6.129 8.573 ( -0.412 0.000 0.060) 0.416 8.690 ( -1.000 0.000 0.102) 1.006 8.811 ( 2.027 0.000 2.281) 3.052 8.877 ( 0.055 0.000 -1.172) 1.173 8.947 ( -2.087 0.000 0.824) 2.244 9.087 ( -2.065 0.000 -4.181) 4.663 9.298 ( 0.424 0.000 -1.456) 1.516 ======================= Grid point 182 (92/116) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 2.290 0.000 16.936) 17.090 1.611 ( -5.067 0.000 16.120) 16.898 1.841 ( 2.936 0.000 -12.845) 13.176 1.975 ( -2.629 0.000 -10.188) 10.522 2.176 ( -1.752 0.000 4.752) 5.064 2.213 ( 2.600 0.000 -5.779) 6.337 2.485 ( -3.426 0.000 3.597) 4.967 2.555 ( -3.016 0.000 0.841) 3.131 2.633 ( 5.286 0.000 1.647) 5.537 2.788 ( -9.105 0.000 19.191) 21.242 2.935 ( 1.134 0.000 -0.248) 1.161 3.021 ( 0.750 0.000 4.759) 4.817 3.036 ( 0.668 0.000 -1.825) 1.943 3.223 ( -2.254 0.000 1.668) 2.804 3.231 ( -1.362 0.000 -1.594) 2.097 3.359 ( -1.445 0.000 -4.049) 4.299 3.520 ( 0.120 0.000 -0.427) 0.443 3.579 ( -1.297 0.000 -5.403) 5.557 3.766 ( 4.642 0.000 3.403) 5.756 3.845 ( 1.137 0.000 2.299) 2.565 4.126 ( 1.040 0.000 3.427) 3.581 4.127 ( 6.646 0.000 -2.907) 7.254 4.393 ( 7.140 0.000 -15.476) 17.043 4.450 ( -6.052 0.000 -0.492) 6.072 6.292 ( -0.330 0.000 -2.961) 2.979 6.299 ( -4.196 0.000 3.008) 5.163 6.565 ( 4.348 0.000 3.852) 5.809 6.692 ( -1.427 0.000 -1.670) 2.197 6.880 ( 1.472 0.000 8.981) 9.101 6.989 ( 7.924 0.000 -3.336) 8.597 7.033 ( 1.251 0.000 4.505) 4.676 7.167 ( -0.500 0.000 -4.103) 4.134 7.192 ( -0.355 0.000 4.185) 4.200 7.234 ( 2.866 0.000 9.878) 10.285 7.380 ( -0.079 0.000 -5.308) 5.309 7.534 ( -3.678 0.000 -5.348) 6.490 7.557 ( -4.485 0.000 7.010) 8.322 7.902 ( -1.301 0.000 -14.591) 14.649 8.257 ( -0.361 0.000 6.052) 6.063 8.472 ( 1.006 0.000 -8.412) 8.472 8.502 ( 3.451 0.000 4.389) 5.583 8.600 ( 1.688 0.000 2.505) 3.021 8.664 ( -1.165 0.000 2.294) 2.573 8.826 ( -0.918 0.000 -3.439) 3.559 8.897 ( -3.290 0.000 6.680) 7.446 8.918 ( 4.303 0.000 -1.644) 4.606 9.070 ( 1.196 0.000 -1.940) 2.279 9.276 ( -2.162 0.000 -2.738) 3.489 ======================= Grid point 183 (93/116) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 2.580 6.502 14.607) 16.195 1.642 ( -1.672 5.832 16.284) 17.377 1.817 ( -1.374 1.049 -9.434) 9.591 1.989 ( -0.112 5.820 -12.485) 13.775 2.138 ( -3.201 1.323 5.567) 6.557 2.265 ( 3.098 -0.039 -6.464) 7.168 2.409 ( -0.046 -2.603 7.493) 7.932 2.544 ( 0.344 -0.290 -4.492) 4.514 2.700 ( -3.047 0.983 7.916) 8.539 2.739 ( 3.220 -3.111 1.216) 4.639 2.870 ( -1.117 -6.384 2.588) 6.979 2.960 ( 1.639 -6.371 -2.914) 7.195 3.055 ( 1.354 0.448 7.379) 7.515 3.182 ( 0.548 -2.045 -3.668) 4.235 3.248 ( 0.105 2.232 3.295) 3.981 3.386 ( 0.821 4.736 -7.729) 9.102 3.514 ( -1.239 1.023 1.697) 2.337 3.560 ( -1.331 0.935 -2.473) 2.960 3.845 ( -1.065 1.344 3.163) 3.598 3.893 ( 2.841 2.917 0.809) 4.152 4.116 ( -1.824 -1.011 5.390) 5.779 4.216 ( 0.614 -2.741 -3.155) 4.224 4.317 ( -5.525 1.305 0.710) 5.722 4.469 ( 4.776 0.123 -11.612) 12.556 6.279 ( -2.944 3.731 3.459) 5.878 6.341 ( 2.331 3.774 -2.429) 5.057 6.701 ( 0.481 3.711 0.030) 3.742 6.727 ( 1.528 6.480 -1.900) 6.924 6.899 ( 1.078 -3.490 8.137) 8.919 7.013 ( 1.275 -3.580 -1.652) 4.144 7.113 ( -0.774 1.267 1.381) 2.028 7.159 ( 1.258 0.455 -1.892) 2.317 7.222 ( 1.096 2.204 2.425) 3.455 7.274 ( -1.551 0.080 -0.968) 1.830 7.405 ( 3.060 3.334 8.433) 9.571 7.480 ( -5.286 1.249 2.291) 5.895 7.557 ( 3.532 1.543 0.610) 3.903 7.781 ( -5.883 -0.376 -15.442) 16.530 8.243 ( -0.538 -2.133 7.148) 7.479 8.402 ( -1.531 -3.592 -6.377) 7.478 8.534 ( 2.901 -4.352 4.457) 6.871 8.612 ( -0.404 -2.404 0.397) 2.470 8.651 ( -0.762 -1.495 1.372) 2.167 8.744 ( -1.053 -1.558 -3.637) 4.094 8.888 ( 0.668 1.595 4.949) 5.243 9.006 ( 2.999 0.428 -4.676) 5.572 9.130 ( 3.257 0.462 2.170) 3.941 9.207 ( -4.017 0.545 -4.175) 5.819 ======================= Grid point 184 (94/116) ======================= q-point: ( 0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -1.898 5.320 10.787) 12.176 1.673 ( 0.638 6.901 8.213) 10.746 1.777 ( 0.143 1.076 -2.395) 2.629 1.965 ( 0.871 5.131 -9.815) 11.109 2.111 ( -0.675 2.495 4.546) 5.229 2.290 ( 1.066 -0.302 -5.414) 5.526 2.434 ( 0.894 -1.250 6.531) 6.709 2.544 ( -1.239 -0.513 -3.045) 3.327 2.644 ( 0.859 -1.766 -0.661) 2.072 2.833 ( -1.454 -7.077 2.230) 7.562 2.876 ( 4.632 -5.098 3.873) 7.902 2.986 ( 1.246 -5.362 -1.846) 5.806 3.095 ( 0.742 -2.987 2.527) 3.982 3.171 ( 0.051 0.595 -2.056) 2.141 3.294 ( 2.074 0.982 3.114) 3.868 3.407 ( 2.572 4.792 -4.694) 7.184 3.486 ( -1.615 0.502 2.224) 2.794 3.542 ( -0.385 0.789 -0.009) 0.878 3.765 ( -5.128 0.570 0.453) 5.180 3.961 ( 2.432 4.286 -3.244) 5.900 4.056 ( -3.874 -0.168 6.832) 7.856 4.161 ( -5.065 0.917 1.910) 5.490 4.259 ( -1.527 1.073 -4.099) 4.504 4.528 ( 3.343 0.028 -7.202) 7.940 6.250 ( -0.911 2.835 3.731) 4.773 6.391 ( 3.100 4.124 -1.651) 5.417 6.682 ( -1.144 4.521 -1.749) 4.981 6.769 ( 2.540 4.499 -3.180) 6.067 6.863 ( -5.937 -3.085 4.195) 7.897 7.004 ( -0.650 -1.213 -3.324) 3.598 7.073 ( -2.852 0.264 0.895) 3.001 7.165 ( -0.629 2.326 -1.980) 3.118 7.232 ( -1.423 1.308 0.963) 2.160 7.284 ( 1.128 1.938 3.274) 3.968 7.423 ( 2.702 1.069 -0.159) 2.910 7.527 ( 2.614 0.858 11.826) 12.141 7.609 ( -4.034 2.412 -7.243) 8.634 7.656 ( 3.537 -1.455 -1.997) 4.314 8.241 ( -1.723 -2.356 8.384) 8.878 8.360 ( -1.591 -2.401 -3.770) 4.744 8.579 ( -0.278 -3.447 -1.914) 3.952 8.613 ( 0.808 -2.741 3.487) 4.508 8.629 ( -1.156 -3.273 0.546) 3.513 8.712 ( -0.810 -1.170 -2.075) 2.516 8.928 ( 2.317 2.651 1.770) 3.941 9.028 ( 0.671 -1.114 -6.486) 6.615 9.103 ( -4.464 1.236 -3.745) 5.957 9.212 ( 3.341 -0.599 2.270) 4.083 ======================= Grid point 185 (95/116) ======================= q-point: ( 0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 1.647 3.909 3.247) 5.342 1.693 ( 1.715 8.408 -2.708) 8.998 1.835 ( 3.902 -0.739 7.820) 8.771 1.968 ( 1.069 3.249 -4.968) 6.032 2.124 ( 0.633 2.495 3.378) 4.247 2.285 ( -0.208 0.123 -4.496) 4.503 2.481 ( -2.264 -0.442 -0.266) 2.322 2.487 ( 1.321 -1.798 7.842) 8.154 2.709 ( 3.082 -5.670 -7.075) 9.576 2.767 ( -3.921 -5.085 1.648) 6.629 2.949 ( 1.000 -3.412 1.584) 3.892 3.006 ( 1.578 -4.728 -0.444) 5.004 3.081 ( -1.533 -8.737 -1.259) 8.959 3.181 ( -0.468 0.214 2.128) 2.190 3.283 ( -2.559 -2.598 1.583) 3.975 3.443 ( -0.332 0.204 -0.726) 0.824 3.489 ( 2.652 -0.107 0.190) 2.661 3.550 ( 1.334 3.737 2.959) 4.949 3.698 ( -1.848 2.986 1.166) 3.700 3.968 ( 0.331 7.041 -6.204) 9.390 3.980 ( -6.534 3.579 7.831) 10.809 4.139 ( 2.847 0.717 -4.658) 5.506 4.198 ( -2.756 5.104 -0.046) 5.801 4.548 ( -0.055 -0.173 -3.487) 3.491 6.266 ( 1.531 1.623 4.253) 4.803 6.443 ( 2.242 3.454 -0.171) 4.121 6.655 ( -0.961 4.174 -3.604) 5.598 6.728 ( -6.685 0.096 0.421) 6.699 6.819 ( 2.435 1.666 -2.825) 4.085 6.989 ( -0.802 1.487 0.025) 1.690 7.017 ( -2.636 0.125 0.308) 2.657 7.118 ( -2.884 4.790 -0.045) 5.592 7.193 ( -1.121 -2.453 1.239) 2.968 7.344 ( 2.355 3.417 1.290) 4.346 7.400 ( -3.321 1.423 -10.763) 11.354 7.563 ( 2.776 1.814 2.036) 3.892 7.603 ( -1.055 -0.706 14.053) 14.110 7.757 ( 5.890 -0.278 -2.611) 6.448 8.223 ( -2.144 -2.774 7.863) 8.609 8.313 ( -2.736 -1.302 -0.340) 3.049 8.559 ( -2.924 -1.327 -1.033) 3.374 8.565 ( -1.083 -1.765 -0.896) 2.257 8.643 ( 0.114 -2.230 -0.514) 2.291 8.731 ( 2.032 -4.121 1.684) 4.894 8.956 ( -0.145 -0.037 -8.125) 8.126 9.015 ( 0.994 -0.236 2.918) 3.092 9.042 ( -1.044 1.150 -4.592) 4.848 9.263 ( 1.329 -1.630 0.266) 2.120 ======================= Grid point 186 (96/116) ======================= q-point: ( 0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 6.149 3.452 -2.293) 7.415 1.756 ( 4.680 6.340 -0.940) 7.936 1.920 ( 3.117 -2.096 2.853) 4.717 1.980 ( 0.815 1.093 2.741) 3.061 2.144 ( 0.524 1.860 2.758) 3.367 2.264 ( -0.648 0.642 -4.107) 4.207 2.421 ( -2.271 -0.179 -0.047) 2.279 2.517 ( -7.840 -2.819 5.346) 9.899 2.625 ( 1.431 -5.014 5.447) 7.540 2.808 ( 3.260 -2.814 -4.704) 6.378 2.918 ( -3.961 -2.625 -0.669) 4.799 3.006 ( -3.502 -12.562 -2.900) 13.360 3.093 ( 4.766 -7.382 -1.839) 8.977 3.140 ( -3.891 -7.156 3.043) 8.695 3.278 ( 2.670 -1.351 -1.141) 3.203 3.404 ( -3.560 0.427 1.565) 3.912 3.541 ( 2.430 0.681 -0.020) 2.524 3.602 ( 2.007 3.381 0.577) 3.974 3.693 ( 1.317 6.034 4.145) 7.438 3.844 ( -6.947 8.637 5.366) 12.315 4.006 ( 2.737 6.795 -6.128) 9.551 4.071 ( -4.883 8.862 -0.309) 10.123 4.281 ( 7.456 0.518 -2.546) 7.896 4.507 ( -3.350 -0.070 -1.866) 3.835 6.327 ( 3.205 0.939 5.104) 6.100 6.470 ( -0.076 2.546 3.479) 4.312 6.606 ( -4.467 1.420 -2.081) 5.128 6.633 ( -0.782 3.086 -5.917) 6.719 6.860 ( 2.023 2.138 -1.580) 3.341 6.944 ( -3.652 1.906 7.313) 8.394 6.981 ( -1.706 0.016 -2.781) 3.263 7.080 ( -0.588 0.754 -5.391) 5.476 7.227 ( 4.569 0.507 4.030) 6.114 7.327 ( -0.771 3.075 -6.049) 6.829 7.365 ( -1.103 4.326 -0.775) 4.532 7.575 ( -3.720 -2.629 2.225) 5.069 7.616 ( 0.312 2.693 10.717) 11.055 7.843 ( 3.600 1.215 -6.050) 7.144 8.201 ( -1.811 -2.353 6.504) 7.150 8.258 ( -2.591 -2.395 0.805) 3.619 8.501 ( -2.619 -1.327 5.649) 6.366 8.570 ( 1.565 -2.145 -4.844) 5.524 8.648 ( 1.121 -0.751 -0.547) 1.456 8.752 ( -0.577 -2.644 0.663) 2.786 8.930 ( -0.201 -0.879 -4.123) 4.221 8.993 ( -1.841 -0.858 -5.314) 5.689 9.089 ( 4.170 -0.710 1.899) 4.637 9.265 ( -0.748 -1.975 -1.850) 2.807 ======================= Grid point 187 (97/116) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -2.710 3.882 2.046) 5.157 1.762 ( -1.747 5.045 -1.204) 5.473 1.966 ( -3.618 -1.927 5.075) 6.524 2.057 ( 7.979 -0.487 -1.517) 8.137 2.158 ( 0.411 0.388 1.571) 1.669 2.240 ( -0.744 1.002 -4.233) 4.413 2.378 ( -2.627 -1.091 1.938) 3.442 2.423 ( 4.223 -0.815 -1.158) 4.454 2.729 ( 1.052 -10.817 9.685) 14.557 2.821 ( -2.081 -2.632 1.678) 3.752 2.836 ( -1.085 -1.032 0.444) 1.562 2.917 ( -2.463 -11.211 -6.754) 13.318 3.050 ( -4.461 -7.809 5.204) 10.390 3.202 ( 5.385 -9.751 -7.715) 13.549 3.305 ( -6.255 1.555 4.220) 7.704 3.365 ( 4.704 0.737 -1.460) 4.980 3.561 ( -1.005 1.926 2.510) 3.319 3.628 ( 1.475 0.967 -2.501) 3.060 3.746 ( -1.017 9.923 3.604) 10.606 3.785 ( 3.164 8.222 0.705) 8.838 3.946 ( -4.759 9.355 4.428) 11.392 4.078 ( 3.124 7.054 -6.179) 9.884 4.411 ( 1.199 -0.194 -1.821) 2.189 4.423 ( 0.515 0.655 -3.369) 3.470 6.401 ( 2.175 0.974 6.783) 7.190 6.467 ( -0.828 2.940 6.620) 7.291 6.521 ( -3.473 2.697 -4.509) 6.298 6.613 ( 0.362 0.570 -6.607) 6.642 6.865 ( -2.145 3.186 6.212) 7.304 6.921 ( -2.375 0.162 3.379) 4.133 6.940 ( 1.347 -0.184 -4.072) 4.293 7.081 ( 2.425 0.552 -7.222) 7.638 7.306 ( -2.001 1.698 1.982) 3.289 7.324 ( 0.616 4.500 -1.677) 4.842 7.377 ( 5.618 1.939 3.040) 6.675 7.469 ( -5.045 -0.304 -2.796) 5.776 7.644 ( -0.384 3.352 10.730) 11.248 7.869 ( 1.500 1.167 -8.289) 8.504 8.185 ( -1.547 -1.431 5.793) 6.164 8.248 ( 2.105 -4.347 -0.448) 4.851 8.471 ( -2.563 -1.282 7.001) 7.565 8.600 ( 2.661 -2.792 -3.705) 5.348 8.690 ( 2.262 0.613 -0.346) 2.369 8.714 ( -2.291 -1.165 -1.353) 2.904 8.918 ( -1.037 -2.451 -0.751) 2.765 8.944 ( -1.477 -1.050 -3.521) 3.960 9.176 ( 3.917 -2.146 0.572) 4.503 9.230 ( -1.729 -1.107 -3.735) 4.262 ======================= Grid point 188 (98/116) ======================= q-point: (-0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -10.362 5.262 5.209) 12.735 1.744 ( -1.510 5.687 1.334) 6.034 1.886 ( -4.151 -1.109 2.157) 4.808 2.123 ( -0.075 1.130 -4.702) 4.837 2.168 ( 0.138 -0.079 2.061) 2.067 2.220 ( -0.164 0.954 -3.813) 3.934 2.411 ( 3.731 -1.537 0.819) 4.117 2.599 ( 11.055 -2.944 -2.232) 11.656 2.614 ( -9.087 -9.754 11.264) 17.453 2.752 ( -4.864 -2.491 -3.727) 6.615 2.902 ( 1.788 -4.865 1.164) 5.312 2.956 ( 7.737 -8.908 1.948) 11.958 2.994 ( -2.670 -5.570 3.687) 7.194 3.192 ( -4.125 4.471 4.122) 7.349 3.267 ( 1.485 -9.097 -3.545) 9.875 3.413 ( -0.191 1.165 0.549) 1.302 3.538 ( -1.146 1.224 0.016) 1.677 3.642 ( 0.452 2.487 -1.985) 3.214 3.728 ( -2.619 5.972 -0.105) 6.522 3.813 ( 0.744 12.318 7.114) 14.244 3.980 ( 7.016 3.777 -4.260) 9.036 4.103 ( 0.048 4.206 -1.729) 4.547 4.326 ( -2.253 2.574 -6.574) 7.411 4.509 ( 3.152 -0.152 -1.786) 3.626 6.420 ( -2.866 2.643 -0.118) 3.901 6.431 ( -2.057 1.230 3.972) 4.639 6.506 ( 1.135 5.478 5.446) 7.807 6.627 ( 2.909 -2.703 -2.945) 4.944 6.824 ( -2.749 1.085 1.404) 3.272 6.897 ( -0.630 2.817 5.664) 6.357 6.982 ( 2.877 -0.177 -1.799) 3.398 7.128 ( 3.903 1.171 -6.594) 7.751 7.222 ( -6.310 2.544 3.864) 7.824 7.331 ( -2.991 0.483 -4.487) 5.414 7.361 ( 2.002 3.021 -0.416) 3.648 7.535 ( 4.397 1.124 1.797) 4.882 7.661 ( -0.417 3.585 10.322) 10.935 7.881 ( 2.438 0.453 -9.731) 10.042 8.187 ( 0.477 -2.770 4.838) 5.595 8.320 ( 4.922 -2.766 -1.221) 5.777 8.441 ( -1.828 -0.544 5.735) 6.043 8.627 ( -4.015 -0.233 -2.385) 4.676 8.648 ( 2.761 -2.872 -2.582) 4.748 8.760 ( 2.994 0.254 0.494) 3.045 8.865 ( -3.711 -4.111 0.210) 5.543 8.929 ( -0.311 -1.760 -0.282) 1.810 9.173 ( -2.027 0.303 -4.259) 4.726 9.252 ( 2.918 -1.624 -1.193) 3.546 ======================= Grid point 189 (99/116) ======================= q-point: (-0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -5.406 7.357 10.787) 14.133 1.730 ( -1.949 6.768 6.177) 9.368 1.829 ( -0.559 0.311 -3.240) 3.303 2.073 ( -2.174 1.148 -9.358) 9.675 2.178 ( -0.088 0.322 3.923) 3.937 2.213 ( 0.338 1.222 -3.356) 3.588 2.463 ( -3.613 -5.748 5.114) 8.500 2.506 ( 0.895 -5.362 6.285) 8.310 2.650 ( -3.136 -0.321 -5.579) 6.408 2.783 ( 5.916 -5.066 0.188) 7.791 2.913 ( -2.500 -2.121 8.616) 9.219 2.961 ( -0.802 -3.827 1.047) 4.048 3.043 ( -0.659 -3.041 0.679) 3.185 3.196 ( -0.042 -2.895 1.564) 3.291 3.295 ( 5.580 -2.791 1.068) 6.330 3.367 ( -4.665 3.215 4.768) 7.405 3.527 ( 0.204 0.720 -3.722) 3.796 3.642 ( 0.350 2.001 -4.358) 4.808 3.670 ( -1.430 2.884 1.453) 3.532 3.881 ( 2.949 7.732 2.953) 8.786 4.070 ( -1.825 -0.267 0.533) 1.920 4.103 ( 5.681 3.316 -2.455) 7.021 4.326 ( 4.133 3.544 -11.132) 12.392 4.522 ( -1.559 -0.399 -0.735) 1.769 6.350 ( -2.303 1.995 -3.641) 4.747 6.400 ( -3.208 2.491 4.344) 5.947 6.558 ( 2.921 7.207 5.913) 9.769 6.707 ( 4.502 -3.745 3.236) 6.690 6.781 ( -1.710 0.921 0.764) 2.087 6.916 ( 1.473 2.082 2.329) 3.454 7.029 ( 1.492 -0.155 0.078) 1.502 7.138 ( -2.012 1.953 6.254) 6.854 7.189 ( 3.379 2.554 -3.668) 5.603 7.284 ( -1.371 1.748 -2.407) 3.276 7.383 ( 0.227 1.411 -1.853) 2.340 7.569 ( -0.643 -0.392 1.634) 1.799 7.664 ( -2.181 3.648 4.565) 6.237 7.908 ( 2.529 -0.619 -11.735) 12.021 8.215 ( 0.705 -2.555 4.540) 5.257 8.411 ( 4.052 -2.082 -1.304) 4.738 8.439 ( 0.484 -0.803 2.074) 2.275 8.575 ( -0.275 0.011 0.534) 0.601 8.677 ( 0.149 -1.187 -0.835) 1.459 8.783 ( -1.616 -6.562 -2.920) 7.362 8.823 ( 1.130 -0.562 4.052) 4.244 8.925 ( -0.149 -1.047 2.188) 2.430 9.126 ( -1.488 2.099 -4.973) 5.599 9.287 ( 0.948 -1.084 -2.072) 2.523 ======================= Grid point 190 (100/116) ======================= q-point: (-0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 2.265 8.126 14.673) 16.925 1.673 ( -5.322 5.637 15.424) 17.262 1.845 ( 1.684 1.180 -9.759) 9.973 2.020 ( -0.067 3.672 -12.274) 12.812 2.177 ( -1.496 0.352 4.421) 4.680 2.222 ( 2.077 0.726 -5.000) 5.462 2.407 ( -2.404 -5.071 8.827) 10.460 2.562 ( 0.328 -2.648 -1.218) 2.933 2.613 ( 2.876 -0.108 -1.907) 3.453 2.834 ( -6.572 1.464 12.173) 13.911 2.861 ( 1.320 -6.150 -0.591) 6.318 2.957 ( -0.431 -4.873 -1.115) 5.018 3.024 ( -0.516 -0.734 5.455) 5.528 3.174 ( -0.214 -3.643 -0.783) 3.732 3.284 ( -3.963 3.714 3.615) 6.524 3.395 ( 1.527 2.646 -3.677) 4.780 3.519 ( 0.355 0.336 -2.308) 2.359 3.605 ( -2.078 2.300 -4.171) 5.197 3.741 ( 6.628 -0.504 2.392) 7.064 3.903 ( -1.225 3.881 4.002) 5.708 4.084 ( 2.816 -1.992 -0.547) 3.493 4.185 ( 2.885 3.196 0.528) 4.337 4.390 ( 4.221 -0.079 -12.468) 13.163 4.451 ( -4.617 0.149 -0.570) 4.654 6.321 ( 0.217 2.627 -2.991) 3.987 6.339 ( -3.780 3.684 3.388) 6.272 6.640 ( 3.970 6.550 2.487) 8.052 6.739 ( -1.146 4.519 -0.049) 4.662 6.821 ( 3.786 -5.182 8.119) 10.349 6.966 ( 3.168 -1.484 -0.880) 3.607 7.059 ( 2.614 1.111 2.726) 3.937 7.155 ( 0.398 0.387 2.066) 2.139 7.241 ( 1.071 2.649 1.259) 3.122 7.255 ( -0.566 2.635 4.703) 5.420 7.376 ( 0.231 -0.056 -3.739) 3.747 7.540 ( -1.684 0.496 -0.799) 1.929 7.592 ( -5.461 3.333 1.108) 6.493 7.892 ( -1.270 -0.867 -14.171) 14.255 8.232 ( -0.094 -2.382 5.221) 5.739 8.442 ( -0.085 -3.017 -6.964) 7.589 8.473 ( 2.110 -2.466 5.161) 6.097 8.599 ( 1.212 -0.812 1.840) 2.348 8.660 ( -0.856 -0.415 1.250) 1.571 8.764 ( 0.003 -5.748 -4.035) 7.022 8.865 ( 1.053 -0.063 5.534) 5.633 8.946 ( 2.322 0.496 1.698) 2.919 9.098 ( 0.144 2.182 -3.489) 4.117 9.274 ( -1.640 -0.301 -3.203) 3.611 ======================= Grid point 191 (101/116) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 0.948 9.354 8.110) 12.416 1.798 ( 0.227 8.930 10.457) 13.753 1.881 ( -1.523 5.404 -2.755) 6.254 2.105 ( 1.099 4.679 -9.394) 10.552 2.170 ( -2.075 1.577 2.672) 3.732 2.247 ( 2.095 -2.102 -5.231) 6.014 2.368 ( 1.887 -1.194 8.239) 8.537 2.525 ( 1.019 -1.593 -3.834) 4.275 2.632 ( 3.972 -5.564 -0.046) 6.837 2.675 ( -5.485 -4.460 -2.413) 7.470 2.745 ( -1.969 -5.347 4.827) 7.468 2.842 ( 1.467 -5.380 -3.871) 6.789 3.048 ( -0.188 -1.221 3.041) 3.282 3.114 ( 1.625 -3.998 -3.093) 5.309 3.356 ( -1.092 7.662 5.785) 9.663 3.464 ( 1.586 2.589 -3.760) 4.833 3.541 ( -0.974 1.685 1.755) 2.621 3.593 ( -1.955 2.255 -2.486) 3.884 3.879 ( -1.317 2.050 4.141) 4.805 3.956 ( 3.499 3.139 -0.963) 4.798 4.090 ( -0.188 -1.767 3.672) 4.079 4.150 ( -1.138 -3.688 -1.354) 4.090 4.351 ( -4.400 2.187 2.651) 5.583 4.469 ( 3.537 -0.343 -7.053) 7.897 6.371 ( -2.488 5.068 3.706) 6.753 6.434 ( 2.268 5.103 -2.328) 6.051 6.755 ( -0.416 -0.468 6.429) 6.459 6.800 ( 2.755 -3.024 3.826) 5.601 6.885 ( -0.269 6.173 -2.297) 6.592 6.945 ( 1.216 -2.148 -3.612) 4.375 7.124 ( 1.638 -0.374 2.885) 3.338 7.151 ( -2.286 -0.944 2.280) 3.364 7.290 ( 0.399 3.588 -1.009) 3.748 7.300 ( 0.927 1.942 -1.417) 2.577 7.453 ( 2.159 3.254 7.692) 8.626 7.561 ( 1.208 1.809 -2.528) 3.335 7.596 ( -2.815 5.883 1.165) 6.625 7.782 ( -4.571 0.811 -13.314) 14.100 8.180 ( -0.544 -3.866 5.776) 6.972 8.307 ( -0.835 -5.829 -5.221) 7.869 8.442 ( 0.088 -4.149 6.901) 8.052 8.532 ( -0.861 -5.144 4.315) 6.769 8.627 ( -0.766 -0.782 -3.772) 3.928 8.699 ( 0.793 -2.659 -5.042) 5.755 8.930 ( 2.100 2.365 4.472) 5.478 9.015 ( 2.429 0.311 -1.570) 2.909 9.144 ( 1.257 0.979 -0.436) 1.651 9.213 ( -2.785 -0.134 -4.944) 5.676 ======================= Grid point 192 (102/116) ======================= q-point: ( 0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -0.787 8.904 5.622) 10.560 1.839 ( 1.358 7.120 -0.312) 7.255 1.840 ( -1.664 7.142 6.266) 9.646 2.085 ( -0.507 6.083 -7.533) 9.696 2.157 ( 0.110 1.668 2.050) 2.645 2.271 ( 1.597 -1.744 -4.343) 4.945 2.413 ( 0.832 -0.984 6.251) 6.382 2.529 ( -0.433 -0.783 -4.984) 5.063 2.570 ( -2.067 -4.774 -5.918) 7.880 2.684 ( -1.090 -6.736 3.044) 7.471 2.749 ( 1.947 -7.919 4.824) 9.475 2.869 ( 1.987 -5.829 -3.122) 6.904 3.031 ( -1.874 -2.477 -0.041) 3.107 3.126 ( -0.088 -4.188 -2.127) 4.698 3.349 ( -0.556 2.808 3.187) 4.284 3.461 ( -2.935 -1.013 -0.944) 3.245 3.509 ( -1.406 3.731 0.389) 4.006 3.593 ( 0.715 3.437 2.980) 4.605 3.799 ( -3.528 2.988 2.129) 5.090 4.027 ( 0.663 1.388 -2.357) 2.815 4.072 ( 3.925 1.975 -0.906) 4.486 4.202 ( -0.731 2.804 7.906) 8.421 4.282 ( -0.826 1.625 -2.300) 2.935 4.516 ( 2.355 -1.485 -4.362) 5.175 6.330 ( -2.103 4.878 3.321) 6.265 6.478 ( 2.136 3.898 -1.562) 4.711 6.750 ( -1.544 -1.782 3.990) 4.634 6.813 ( -1.209 3.578 -0.509) 3.811 6.865 ( -1.158 3.124 -0.940) 3.461 6.967 ( 2.242 -2.659 -5.157) 6.220 7.075 ( -3.649 -0.095 0.551) 3.692 7.157 ( -0.539 -2.092 1.977) 2.929 7.325 ( 4.472 3.406 0.085) 5.622 7.347 ( -0.204 5.899 0.070) 5.903 7.448 ( -1.547 2.545 0.059) 2.979 7.586 ( 1.823 2.799 0.492) 3.377 7.613 ( 0.157 -0.260 4.229) 4.240 7.678 ( -0.379 4.070 -4.479) 6.064 8.166 ( -2.231 -4.625 5.132) 7.260 8.309 ( 1.151 -3.204 -1.748) 3.827 8.459 ( 0.305 -6.422 6.139) 8.889 8.533 ( -0.760 -5.056 5.935) 7.834 8.598 ( -0.327 -0.426 -5.571) 5.597 8.684 ( -1.055 -1.858 -4.372) 4.866 8.971 ( 1.069 1.511 2.554) 3.154 9.017 ( -0.786 0.187 -7.151) 7.197 9.125 ( -3.087 0.930 -3.114) 4.482 9.196 ( 1.791 -1.010 0.834) 2.219 ======================= Grid point 193 (103/116) ======================= q-point: ( 0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -0.373 8.804 2.480) 9.154 1.829 ( 0.482 4.033 -2.879) 4.978 1.895 ( 2.546 6.822 7.168) 10.218 2.051 ( -1.551 4.819 -4.735) 6.931 2.170 ( 0.479 1.754 1.613) 2.431 2.283 ( 0.564 -0.396 -3.030) 3.107 2.445 ( 0.108 -2.250 6.977) 7.332 2.469 ( -1.433 -0.549 -3.062) 3.425 2.571 ( 0.063 -6.515 -6.124) 8.941 2.661 ( -0.121 -5.300 -1.982) 5.660 2.780 ( -0.488 -12.240 3.275) 12.680 2.889 ( -0.015 -7.030 -0.912) 7.089 2.974 ( -3.121 -1.597 -2.371) 4.232 3.086 ( -4.122 -6.255 0.881) 7.543 3.309 ( -2.726 2.489 0.468) 3.721 3.444 ( -0.599 -0.976 1.183) 1.646 3.476 ( 1.097 0.243 -0.490) 1.226 3.611 ( 0.233 0.530 1.834) 1.924 3.794 ( 1.371 7.193 4.874) 8.796 4.063 ( 3.901 3.488 -2.173) 5.667 4.130 ( -5.179 6.230 4.344) 9.193 4.174 ( 5.665 5.362 -3.123) 8.402 4.295 ( -0.023 3.748 0.801) 3.833 4.529 ( -0.328 -2.063 -1.943) 2.853 6.320 ( 0.343 3.592 3.939) 5.342 6.497 ( 0.098 1.014 0.342) 1.075 6.716 ( -1.991 1.523 -1.525) 2.934 6.778 ( -2.099 5.885 -1.872) 6.523 6.853 ( 0.116 2.052 -0.080) 2.057 6.996 ( 1.492 -1.714 -6.690) 7.066 7.018 ( -1.524 -0.670 0.703) 1.807 7.129 ( -3.177 -3.417 2.614) 5.348 7.279 ( -3.501 9.762 1.760) 10.519 7.413 ( 3.054 3.577 -2.626) 5.387 7.452 ( 0.569 3.216 -3.049) 4.468 7.553 ( -0.797 -0.768 -2.523) 2.755 7.641 ( -0.451 1.824 11.221) 11.378 7.763 ( 6.357 1.254 0.674) 6.514 8.138 ( -1.857 -4.294 4.913) 6.785 8.303 ( -2.265 -0.169 2.187) 3.153 8.487 ( 1.084 -5.884 1.728) 6.227 8.509 ( -3.156 -3.994 5.021) 7.150 8.602 ( 1.325 -1.254 -3.948) 4.349 8.662 ( 0.990 -2.382 -2.476) 3.576 8.957 ( -2.258 0.036 -7.936) 8.251 8.988 ( 0.110 -1.723 -0.574) 1.819 9.078 ( -1.157 1.946 -1.328) 2.625 9.220 ( 0.353 -2.488 -0.121) 2.516 ======================= Grid point 194 (104/116) ======================= q-point: ( 0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 6.197 5.999 -0.050) 8.626 1.846 ( 2.183 1.884 -0.244) 2.894 1.942 ( -0.293 4.561 2.786) 5.353 1.999 ( -2.689 0.927 -0.685) 2.926 2.180 ( 0.081 1.616 2.269) 2.787 2.281 ( 0.093 0.816 -2.022) 2.182 2.411 ( -2.465 -0.925 -1.825) 3.203 2.455 ( -5.581 -2.566 3.157) 6.906 2.532 ( 0.274 -3.381 5.778) 6.700 2.689 ( 3.712 -9.062 -11.045) 14.762 2.754 ( -1.887 -11.215 0.890) 11.407 2.834 ( -5.076 -7.981 0.796) 9.492 2.955 ( 1.785 -3.124 -3.524) 5.036 2.989 ( -4.987 -5.329 2.124) 7.601 3.311 ( 2.928 2.576 -0.434) 3.923 3.413 ( -2.645 0.282 2.121) 3.402 3.537 ( 3.683 -0.578 -0.759) 3.804 3.615 ( -0.106 -1.290 0.076) 1.296 3.860 ( 4.213 9.314 3.330) 10.751 4.032 ( -5.382 8.212 3.479) 10.417 4.144 ( 3.922 6.166 -0.550) 7.329 4.246 ( -1.091 7.729 -1.739) 7.997 4.307 ( 4.468 2.398 0.193) 5.074 4.493 ( -2.819 -1.601 -1.131) 3.434 6.364 ( 2.758 2.701 5.397) 6.635 6.499 ( -0.040 0.054 3.373) 3.374 6.668 ( -2.337 4.599 -5.264) 7.371 6.716 ( -3.494 4.861 -3.514) 6.942 6.865 ( 1.102 -0.133 -0.577) 1.251 6.959 ( -2.146 -1.256 -3.032) 3.921 7.024 ( -1.772 1.860 2.053) 3.289 7.066 ( -1.206 -2.225 -1.330) 2.859 7.283 ( 2.839 5.523 4.402) 7.612 7.415 ( 0.161 5.295 -5.144) 7.384 7.453 ( -0.601 3.428 -1.301) 3.715 7.532 ( -2.555 -0.621 2.340) 3.520 7.679 ( 2.194 3.027 8.477) 9.265 7.878 ( 4.893 1.692 -2.298) 5.664 8.107 ( -2.203 -4.899 3.219) 6.262 8.237 ( -4.719 -0.273 2.630) 5.409 8.457 ( -2.659 -3.064 5.336) 6.703 8.507 ( 0.823 -4.324 -0.345) 4.415 8.630 ( 2.781 -0.718 -1.746) 3.361 8.697 ( 1.608 -2.621 -1.511) 3.426 8.909 ( -0.960 -0.868 -4.722) 4.896 8.968 ( -1.735 -1.775 -3.862) 4.591 9.076 ( 1.211 -0.261 1.036) 1.615 9.211 ( -0.685 -3.250 -2.636) 4.241 ======================= Grid point 195 (105/116) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -2.696 6.622 2.708) 7.646 1.880 ( -1.497 5.992 -1.237) 6.299 1.915 ( -2.548 -2.905 3.837) 5.445 2.000 ( 7.190 -4.550 -3.395) 9.161 2.191 ( 0.399 2.354 3.982) 4.643 2.270 ( -1.237 2.026 -3.176) 3.965 2.345 ( -1.319 -2.210 2.718) 3.743 2.405 ( 1.099 -0.641 -1.912) 2.297 2.537 ( -4.596 -7.492 8.328) 12.109 2.672 ( -1.030 -8.577 -0.582) 8.658 2.743 ( -1.791 -7.283 -1.458) 7.641 2.794 ( 4.029 -6.561 -4.402) 8.869 2.924 ( -2.490 -3.440 1.795) 4.610 3.002 ( 3.922 -6.548 -5.518) 9.419 3.349 ( -4.275 2.317 2.730) 5.577 3.388 ( 4.072 1.239 -1.127) 4.403 3.576 ( -0.438 -0.009 0.872) 0.976 3.623 ( 1.901 -1.162 -3.001) 3.738 3.943 ( -4.290 8.630 2.271) 9.902 3.968 ( 6.186 8.810 -0.264) 10.768 4.161 ( -4.456 10.619 5.326) 12.688 4.212 ( -0.078 5.819 -0.168) 5.822 4.400 ( 2.023 -1.026 -0.231) 2.280 4.440 ( 0.681 0.848 -4.118) 4.259 6.439 ( 2.686 2.676 7.614) 8.506 6.522 ( 0.909 2.091 3.890) 4.509 6.593 ( -3.272 3.976 -4.256) 6.680 6.636 ( -3.283 1.795 -4.580) 5.914 6.873 ( -1.369 -1.307 1.170) 2.225 6.929 ( 1.066 -0.427 -4.083) 4.242 6.978 ( -2.252 2.842 5.179) 6.322 7.081 ( 2.433 -0.717 -3.897) 4.650 7.337 ( -1.164 2.087 5.039) 5.577 7.422 ( -1.368 2.964 2.666) 4.215 7.433 ( 0.296 3.340 -3.977) 5.202 7.496 ( 2.204 4.030 -1.833) 4.946 7.740 ( 0.791 6.006 7.815) 9.888 7.911 ( 0.489 3.142 -6.433) 7.176 8.126 ( 3.669 -6.369 3.129) 7.989 8.150 ( -3.772 -2.923 1.506) 5.004 8.435 ( -1.587 -2.160 6.646) 7.166 8.526 ( 1.473 -4.488 -0.715) 4.778 8.688 ( 0.700 -1.255 -1.746) 2.261 8.696 ( 1.162 -0.203 -2.725) 2.969 8.875 ( -2.746 -1.419 0.511) 3.133 8.919 ( -1.513 -1.329 -3.279) 3.848 9.124 ( 3.066 -2.570 0.019) 4.001 9.190 ( -0.048 -2.832 -5.049) 5.790 ======================= Grid point 196 (106/116) ======================= q-point: (-0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -7.823 8.003 4.743) 12.155 1.858 ( -1.289 1.008 -0.679) 1.772 1.897 ( -0.033 6.288 3.574) 7.233 2.092 ( 1.862 -3.893 -5.412) 6.922 2.206 ( -0.463 2.990 2.288) 3.793 2.243 ( -0.228 1.202 -1.464) 1.908 2.366 ( 1.731 -2.902 2.444) 4.170 2.409 ( -7.841 -8.858 12.391) 17.132 2.519 ( 8.903 -4.816 -2.544) 10.436 2.666 ( -0.752 -4.381 -4.712) 6.478 2.756 ( 3.705 -8.185 0.443) 8.995 2.864 ( 3.355 -5.819 -1.954) 6.996 2.890 ( -1.388 -1.830 2.210) 3.187 3.071 ( 4.234 -8.111 -5.149) 10.499 3.282 ( -2.570 4.484 2.446) 5.718 3.436 ( 0.988 0.978 -0.524) 1.486 3.549 ( -1.704 -0.044 -1.358) 2.180 3.650 ( 1.335 -1.413 -3.136) 3.690 3.877 ( -3.352 7.757 1.684) 8.617 4.069 ( -2.815 12.122 4.915) 13.380 4.083 ( 2.160 3.911 0.648) 4.515 4.182 ( -2.548 5.082 1.213) 5.813 4.390 ( 0.610 2.912 -5.240) 6.026 4.497 ( 2.439 -1.277 -1.014) 2.933 6.459 ( -4.297 1.608 -0.942) 4.684 6.503 ( 0.447 4.969 5.631) 7.523 6.570 ( -1.041 -2.201 -1.503) 2.862 6.627 ( 3.802 5.669 4.388) 8.115 6.835 ( -2.152 -0.535 1.946) 2.950 6.955 ( 1.237 1.818 -2.408) 3.261 6.974 ( 0.953 0.094 2.510) 2.687 7.134 ( 3.618 -1.085 -2.674) 4.628 7.282 ( -4.472 3.930 4.922) 7.724 7.354 ( -2.732 1.536 -0.827) 3.241 7.458 ( 1.169 5.725 -2.080) 6.202 7.572 ( 2.993 2.222 -2.205) 4.331 7.741 ( -1.380 4.378 6.662) 8.090 7.912 ( 0.879 2.726 -7.766) 8.277 8.116 ( 0.981 -3.854 2.246) 4.567 8.244 ( 6.246 -4.589 2.384) 8.109 8.422 ( -1.170 -1.231 4.774) 5.067 8.556 ( 1.055 -5.328 1.032) 5.528 8.636 ( -2.078 0.376 -5.100) 5.520 8.724 ( -0.691 -3.383 -2.181) 4.084 8.819 ( -1.968 -0.011 2.332) 3.052 8.898 ( -0.501 -1.554 0.485) 1.703 9.156 ( 0.604 -1.560 -3.921) 4.263 9.212 ( 3.170 -2.282 -3.429) 5.197 ======================= Grid point 197 (107/116) ======================= q-point: (-0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -2.752 11.038 8.380) 14.129 1.846 ( -1.401 2.661 1.939) 3.578 1.905 ( 0.668 8.779 2.192) 9.073 2.079 ( -0.302 -0.920 -6.558) 6.629 2.196 ( -0.389 1.153 -0.262) 1.244 2.244 ( -0.017 1.580 -0.370) 1.623 2.319 ( -3.860 -6.548 11.312) 13.629 2.412 ( 2.489 -4.936 2.516) 6.074 2.624 ( 0.137 -2.082 -6.881) 7.190 2.675 ( 4.534 -4.980 -0.993) 6.808 2.806 ( -0.287 -8.277 1.666) 8.448 2.876 ( -0.039 -5.640 -0.637) 5.676 2.943 ( 4.349 -2.656 0.415) 5.113 3.117 ( 0.688 -5.456 -2.121) 5.894 3.293 ( 3.867 2.726 1.739) 5.041 3.433 ( -1.571 1.937 2.059) 3.234 3.527 ( 1.283 0.041 -4.168) 4.361 3.665 ( 1.054 -0.428 -3.245) 3.439 3.801 ( -4.916 8.609 3.544) 10.528 4.020 ( -2.596 6.475 5.768) 9.052 4.063 ( -3.062 -0.157 0.047) 3.067 4.210 ( 3.417 6.206 -0.772) 7.126 4.394 ( 1.101 2.547 -7.315) 7.824 4.505 ( -1.581 -1.438 0.683) 2.243 6.387 ( -2.088 1.708 -1.466) 3.070 6.483 ( -2.275 5.006 1.393) 5.672 6.609 ( 3.133 -4.194 7.060) 8.789 6.716 ( 3.507 7.717 3.162) 9.047 6.813 ( -0.454 -0.097 4.380) 4.405 6.960 ( 0.185 3.128 -2.955) 4.307 7.009 ( 1.856 -1.801 0.960) 2.758 7.173 ( -0.191 -0.087 2.595) 2.604 7.254 ( 1.647 4.663 1.415) 5.143 7.318 ( -0.999 1.628 0.398) 1.951 7.449 ( -1.729 4.958 -1.645) 5.503 7.583 ( -0.380 1.605 -2.635) 3.109 7.728 ( -2.029 2.435 2.930) 4.317 7.902 ( 0.765 -0.122 -10.437) 10.466 8.163 ( 1.629 -1.933 2.212) 3.359 8.352 ( 3.556 -3.836 0.830) 5.296 8.413 ( -0.855 -1.501 2.615) 3.134 8.551 ( -0.959 -3.891 1.669) 4.341 8.633 ( 2.163 -2.891 -4.211) 5.547 8.666 ( -2.700 -2.514 -0.372) 3.708 8.828 ( 1.565 0.454 2.126) 2.679 8.901 ( 0.416 -1.529 3.003) 3.396 9.152 ( 0.274 0.875 -5.076) 5.158 9.257 ( 1.871 -1.894 -3.283) 4.227 ======================= Grid point 198 (108/116) ======================= q-point: (-0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 1.998 11.646 9.873) 15.398 1.806 ( -3.380 6.998 9.463) 12.245 1.909 ( -0.629 5.329 -2.262) 5.823 2.088 ( 2.742 2.365 -8.602) 9.333 2.194 ( 0.008 0.973 -0.588) 1.137 2.231 ( -0.202 -0.495 -2.552) 2.607 2.317 ( 0.336 -2.995 10.301) 10.733 2.479 ( 3.392 -5.164 2.703) 6.744 2.604 ( 0.238 -0.755 -6.746) 6.792 2.735 ( 1.298 -5.607 -1.359) 5.914 2.777 ( -2.686 -5.973 2.626) 7.056 2.852 ( -1.700 -5.564 -2.649) 6.393 3.015 ( 2.648 -0.967 2.616) 3.846 3.104 ( -0.430 -2.969 -0.912) 3.136 3.355 ( -0.427 2.876 3.293) 4.392 3.442 ( 3.059 1.266 -0.102) 3.312 3.548 ( -0.282 3.144 -3.331) 4.589 3.654 ( -1.877 1.935 -2.530) 3.697 3.778 ( 3.981 4.438 3.105) 6.722 3.975 ( -2.838 3.138 5.903) 7.262 4.048 ( 1.341 -1.294 -1.552) 2.425 4.230 ( -2.502 0.395 0.969) 2.712 4.395 ( 0.833 0.832 -6.031) 6.144 4.457 ( -2.226 0.338 -0.756) 2.375 6.374 ( 0.649 2.796 0.312) 2.887 6.442 ( -2.161 5.873 0.725) 6.300 6.700 ( 3.863 -5.417 8.380) 10.700 6.755 ( 0.384 2.733 2.413) 3.666 6.856 ( 2.948 5.292 2.678) 6.623 6.948 ( -0.391 1.047 -4.044) 4.196 7.058 ( 3.051 -0.972 1.974) 3.761 7.174 ( -0.647 0.341 4.081) 4.146 7.289 ( 0.496 2.327 0.309) 2.399 7.314 ( -0.658 2.342 3.265) 4.072 7.411 ( -0.189 4.508 -0.959) 4.613 7.559 ( -0.830 1.566 -3.245) 3.697 7.672 ( -3.756 4.162 -0.279) 5.613 7.875 ( -1.161 -0.815 -12.618) 12.698 8.175 ( -0.370 -2.746 3.005) 4.088 8.357 ( -2.073 -5.268 -4.215) 7.057 8.419 ( 0.410 -2.549 5.805) 6.353 8.540 ( -0.884 -5.303 3.330) 6.324 8.637 ( 0.340 -1.345 -2.606) 2.952 8.681 ( 2.303 -2.014 -4.189) 5.187 8.876 ( 2.105 0.977 4.684) 5.228 8.943 ( 3.401 -0.586 3.250) 4.741 9.142 ( 0.022 2.173 -4.460) 4.961 9.261 ( -0.617 -1.123 -4.029) 4.228 ======================= Grid point 199 (109/116) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 0.305 7.718 2.817) 8.221 1.932 ( 0.477 3.118 -1.484) 3.486 2.035 ( 0.074 8.730 5.225) 10.175 2.143 ( 1.375 -0.480 -0.572) 1.564 2.167 ( -0.178 -2.564 0.669) 2.656 2.184 ( 0.980 -3.999 -2.580) 4.859 2.376 ( 1.459 2.561 8.186) 8.701 2.459 ( 2.773 -4.862 4.976) 7.489 2.575 ( -0.764 0.347 -6.100) 6.158 2.605 ( -3.535 -2.094 -5.498) 6.864 2.666 ( -0.593 -1.030 -0.258) 1.216 2.730 ( 1.253 -5.636 -5.254) 7.806 3.027 ( -0.327 -0.266 0.117) 0.438 3.048 ( 0.513 -2.299 -1.703) 2.907 3.472 ( -1.778 2.788 -0.025) 3.307 3.492 ( 1.365 0.305 -1.836) 2.308 3.593 ( -1.086 3.272 2.107) 4.040 3.626 ( -1.144 0.344 -1.186) 1.683 3.938 ( -2.715 4.160 5.201) 7.193 4.017 ( 3.160 2.709 -1.496) 4.423 4.033 ( -1.628 -3.956 4.213) 6.004 4.079 ( 2.709 -3.185 0.133) 4.183 4.402 ( -2.438 2.659 2.175) 4.212 4.448 ( 0.789 -1.801 -1.739) 2.625 6.470 ( -0.868 4.572 3.883) 6.061 6.516 ( 0.371 1.609 -0.521) 1.731 6.693 ( 1.365 -1.608 6.756) 7.078 6.737 ( 2.117 -4.111 2.251) 5.143 6.955 ( 0.002 2.513 -3.150) 4.030 6.979 ( -0.627 1.604 -4.761) 5.063 7.107 ( 1.303 -0.289 4.096) 4.308 7.127 ( -1.979 -1.525 3.118) 3.995 7.332 ( 1.655 1.002 -0.033) 1.935 7.334 ( 0.757 0.878 -0.144) 1.169 7.532 ( -0.623 3.205 1.974) 3.815 7.565 ( -0.322 -0.498 -1.545) 1.655 7.737 ( -0.073 6.601 -1.811) 6.845 7.810 ( -1.585 0.408 -7.448) 7.626 8.116 ( -1.473 -1.009 2.453) 3.034 8.180 ( -1.616 -6.164 -2.942) 7.019 8.394 ( -0.781 -0.276 7.014) 7.062 8.434 ( -0.696 -3.971 5.999) 7.228 8.623 ( -0.053 0.544 -5.873) 5.898 8.650 ( 0.544 -2.040 -6.118) 6.472 8.976 ( 2.548 2.138 3.980) 5.187 9.009 ( 2.716 -1.029 2.217) 3.654 9.170 ( -0.533 1.546 -3.664) 4.012 9.199 ( -1.659 -1.211 -5.032) 5.435 ======================= Grid point 200 (110/116) ======================= q-point: ( 0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -0.000 6.796 1.860) 7.046 1.933 ( 0.184 2.629 -3.361) 4.271 2.037 ( -1.794 10.026 4.516) 11.141 2.155 ( -0.939 -0.007 -1.776) 2.009 2.168 ( 1.234 -0.305 0.306) 1.308 2.210 ( 2.188 -5.044 -3.102) 6.313 2.398 ( -0.616 1.256 6.077) 6.236 2.481 ( -1.788 -5.205 -0.675) 5.545 2.528 ( 0.028 0.954 -4.692) 4.788 2.579 ( 0.463 -4.617 -0.473) 4.664 2.641 ( -2.105 1.387 -0.203) 2.529 2.745 ( 0.817 -6.663 -3.767) 7.698 3.009 ( -1.502 0.339 -0.501) 1.619 3.045 ( -0.990 -3.217 -0.910) 3.486 3.391 ( -3.316 1.711 -0.093) 3.732 3.426 ( -4.138 -1.888 -0.870) 4.631 3.581 ( -3.474 3.066 1.957) 5.030 3.624 ( -1.735 -0.789 1.707) 2.558 3.895 ( 0.230 5.996 3.900) 7.156 3.998 ( 1.074 -3.714 1.114) 4.024 4.143 ( 6.894 4.176 -2.082) 8.324 4.210 ( 6.864 -2.064 1.552) 7.334 4.359 ( -2.353 5.437 2.454) 6.413 4.460 ( 0.424 -4.154 -0.170) 4.179 6.431 ( -2.851 4.917 2.517) 6.216 6.507 ( -1.814 -1.814 0.965) 2.741 6.736 ( 2.730 2.399 1.079) 3.791 6.820 ( 4.455 -4.371 1.748) 6.481 6.924 ( -1.939 3.156 -2.085) 4.251 6.950 ( -0.902 0.603 -4.360) 4.493 7.074 ( -3.609 0.452 0.935) 3.756 7.107 ( -2.172 -2.545 2.014) 3.905 7.380 ( 4.040 2.473 1.230) 4.894 7.409 ( 4.874 0.173 -0.146) 4.879 7.516 ( -1.470 2.756 0.952) 3.266 7.559 ( -0.330 -2.021 -1.027) 2.291 7.714 ( -2.503 6.107 -1.001) 6.675 7.763 ( -0.825 2.379 -2.750) 3.729 8.103 ( -0.378 0.072 3.784) 3.804 8.195 ( 3.179 -7.368 0.837) 8.068 8.393 ( -1.247 -0.043 7.429) 7.533 8.436 ( -0.838 -4.002 6.406) 7.599 8.604 ( -0.119 1.090 -5.948) 6.048 8.640 ( -0.145 -2.300 -5.315) 5.793 8.997 ( -1.011 1.331 -0.064) 1.672 9.018 ( -1.540 -0.528 -3.584) 3.936 9.145 ( -1.300 1.239 -2.326) 2.939 9.172 ( 0.172 -1.355 -1.273) 1.867 ======================= Grid point 201 (111/116) ======================= q-point: ( 0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -1.827 6.940 1.878) 7.418 1.926 ( 0.281 3.648 -3.854) 5.314 1.998 ( -2.487 5.048 2.955) 6.356 2.108 ( -3.226 -1.435 -3.255) 4.802 2.194 ( 0.986 0.888 1.337) 1.883 2.241 ( 1.156 -4.195 -0.122) 4.353 2.416 ( 1.628 0.882 2.254) 2.917 2.457 ( 1.678 -1.702 -5.600) 6.089 2.524 ( -1.817 1.775 -3.062) 3.979 2.570 ( -2.182 -5.467 0.924) 5.958 2.592 ( -1.549 -0.611 1.171) 2.035 2.720 ( -2.928 -9.371 -1.851) 9.991 2.967 ( -2.207 0.590 -1.338) 2.647 2.997 ( -3.302 -2.605 -0.145) 4.208 3.353 ( -0.809 2.130 0.099) 2.281 3.401 ( 0.501 -2.569 0.902) 2.768 3.514 ( -1.644 2.939 1.009) 3.516 3.577 ( -1.877 -2.979 1.454) 3.809 3.948 ( 3.226 7.005 2.698) 8.171 4.052 ( 3.323 -3.319 0.048) 4.697 4.254 ( 4.084 5.593 -0.875) 6.980 4.308 ( 1.213 3.149 5.727) 6.647 4.340 ( 1.679 3.480 -1.880) 4.297 4.457 ( -0.856 -5.202 0.561) 5.302 6.399 ( -0.721 4.045 2.803) 4.974 6.472 ( -1.416 -2.995 1.787) 3.764 6.788 ( 2.074 5.244 -3.405) 6.588 6.871 ( -1.746 0.719 -1.403) 2.352 6.901 ( 0.397 2.344 2.989) 3.819 6.933 ( 1.765 -2.631 -7.932) 8.541 7.001 ( -3.463 0.021 -0.565) 3.508 7.052 ( -3.569 -4.030 2.795) 6.066 7.439 ( -1.622 5.211 6.394) 8.407 7.485 ( 2.306 1.293 1.213) 2.909 7.498 ( 1.067 2.532 -4.109) 4.943 7.543 ( 0.823 -1.093 -7.362) 7.488 7.680 ( -0.749 3.480 5.923) 6.910 7.760 ( 1.030 -2.897 2.671) 4.073 8.130 ( 1.299 4.530 4.068) 6.226 8.261 ( 1.694 -5.834 0.491) 6.095 8.388 ( -0.833 -1.276 7.565) 7.717 8.425 ( -2.145 -3.717 6.076) 7.438 8.598 ( 1.143 0.724 -5.189) 5.362 8.624 ( 0.506 -1.679 -4.426) 4.761 8.955 ( -2.567 -0.079 -5.484) 6.055 8.962 ( -1.801 -0.786 -3.105) 3.674 9.119 ( -1.230 2.262 -1.053) 2.782 9.168 ( -0.673 -2.602 -0.687) 2.774 ======================= Grid point 202 (112/116) ======================= q-point: ( 0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -0.450 3.762 1.707) 4.156 1.926 ( -0.838 -0.800 -0.479) 1.253 1.959 ( -1.006 4.069 -0.162) 4.195 2.040 ( -2.518 -0.221 -2.723) 3.715 2.211 ( 0.272 1.570 3.387) 3.743 2.258 ( 0.556 -3.197 3.118) 4.500 2.431 ( -5.560 3.741 -2.346) 7.100 2.446 ( 0.118 2.120 -3.895) 4.436 2.507 ( 1.807 0.329 1.854) 2.610 2.528 ( 0.245 -4.398 -3.300) 5.504 2.577 ( -0.772 -6.343 -1.963) 6.684 2.635 ( -4.275 -10.014 0.301) 10.893 2.934 ( -0.551 -0.086 -1.970) 2.047 2.940 ( -2.253 -0.787 -0.024) 2.386 3.362 ( 1.643 2.485 0.701) 3.060 3.404 ( -0.552 -1.432 2.038) 2.551 3.538 ( 2.751 1.085 -0.602) 3.018 3.576 ( 0.885 -2.282 -0.067) 2.449 4.021 ( 3.765 6.270 0.867) 7.365 4.099 ( 0.842 -1.214 -0.029) 1.477 4.278 ( -0.222 6.833 5.124) 8.544 4.347 ( 1.313 1.078 1.746) 2.435 4.369 ( 0.368 3.508 -0.573) 3.573 4.437 ( -0.607 -3.764 -1.329) 4.038 6.425 ( 2.321 3.082 4.613) 6.013 6.477 ( 1.406 -2.015 3.484) 4.263 6.767 ( -3.283 4.486 -5.879) 8.091 6.799 ( -5.099 2.159 -5.091) 7.522 6.881 ( -1.574 1.993 2.139) 3.320 6.925 ( -1.112 -1.868 -4.396) 4.904 7.005 ( 0.563 -2.315 1.443) 2.785 7.008 ( 1.273 -2.708 -0.729) 3.080 7.408 ( -1.697 5.448 5.561) 7.967 7.471 ( -2.405 -1.051 4.452) 5.168 7.514 ( 0.685 4.054 -5.177) 6.611 7.553 ( 0.539 0.598 -4.418) 4.491 7.736 ( 4.677 3.437 6.959) 9.062 7.834 ( 5.327 -5.653 4.934) 9.203 8.121 ( -3.568 5.767 -1.062) 6.864 8.220 ( -5.109 -2.443 -1.761) 5.930 8.396 ( -1.224 -2.160 6.265) 6.739 8.412 ( 0.482 -3.929 6.487) 7.599 8.628 ( 3.026 0.603 -3.193) 4.440 8.653 ( 2.815 -1.767 -3.515) 4.838 8.903 ( -1.494 0.389 -3.341) 3.680 8.927 ( -1.298 -1.917 -2.344) 3.294 9.091 ( -0.892 1.849 -1.711) 2.673 9.144 ( -1.057 -3.246 -2.820) 4.428 ======================= Grid point 203 (113/116) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -0.027 -0.944 1.528) 1.796 1.894 ( 1.683 -3.289 -0.551) 3.735 1.960 ( -3.200 4.757 1.633) 5.962 1.990 ( -0.269 2.150 -1.183) 2.468 2.235 ( 1.427 2.128 5.004) 5.621 2.285 ( 0.678 -2.659 5.435) 6.089 2.334 ( -3.393 3.499 -2.420) 5.442 2.402 ( -1.636 -1.687 -3.867) 4.525 2.442 ( -6.332 0.457 4.918) 8.031 2.561 ( 2.522 -5.656 -4.020) 7.383 2.594 ( 0.625 -5.449 -0.710) 5.530 2.624 ( 4.138 -5.260 -4.232) 7.918 2.912 ( -0.572 0.820 -0.317) 1.049 2.936 ( 1.294 -1.631 -2.592) 3.325 3.392 ( -1.145 1.681 1.231) 2.377 3.406 ( 2.229 0.315 -0.232) 2.263 3.575 ( 0.407 0.219 -0.519) 0.695 3.593 ( 1.193 -1.521 -1.985) 2.771 4.073 ( -2.606 4.038 1.337) 4.988 4.090 ( 1.909 2.689 -0.351) 3.316 4.293 ( -0.280 3.886 4.688) 6.095 4.344 ( -2.737 3.733 4.158) 6.222 4.372 ( 1.880 0.353 -1.026) 2.171 4.438 ( 0.967 -1.659 -3.251) 3.776 6.497 ( 2.798 2.803 7.137) 8.162 6.536 ( 2.255 -0.766 4.983) 5.523 6.661 ( -4.071 2.433 -4.917) 6.832 6.674 ( -5.225 1.217 -5.490) 7.676 6.860 ( -1.489 0.658 2.245) 2.773 6.900 ( -0.530 -2.470 -0.386) 2.555 7.013 ( 1.157 1.612 -1.232) 2.336 7.054 ( 2.613 -2.023 -3.767) 5.011 7.390 ( -2.440 2.839 6.589) 7.578 7.429 ( -3.373 -0.770 5.775) 6.732 7.525 ( 2.014 3.968 -3.370) 5.582 7.561 ( 1.959 0.960 -3.762) 4.349 7.863 ( 5.164 5.827 6.089) 9.884 7.968 ( 5.139 -2.529 1.604) 5.948 8.019 ( -2.634 1.223 -1.454) 3.248 8.094 ( -6.098 -3.290 -3.551) 7.786 8.402 ( -0.358 -0.523 6.785) 6.814 8.436 ( 0.542 -3.819 4.158) 5.671 8.673 ( 1.243 -0.110 -3.324) 3.550 8.683 ( 1.074 -0.882 -3.871) 4.113 8.868 ( -2.137 0.696 0.810) 2.389 8.892 ( -1.742 -1.408 -0.895) 2.412 9.095 ( 2.041 0.108 -2.804) 3.470 9.129 ( 1.004 -2.871 -5.083) 5.923 ======================= Grid point 204 (114/116) ======================= q-point: (-0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -2.578 7.070 3.024) 8.110 1.887 ( 0.001 3.377 0.369) 3.398 1.974 ( 3.496 -2.184 1.439) 4.367 1.989 ( 0.973 -4.643 0.348) 4.756 2.258 ( -2.376 0.554 -0.655) 2.526 2.261 ( -1.592 0.527 1.941) 2.565 2.309 ( -2.730 -0.227 8.114) 8.564 2.325 ( -3.205 -0.718 5.923) 6.772 2.460 ( 6.524 1.448 -3.299) 7.453 2.598 ( 2.717 -7.590 -3.718) 8.877 2.631 ( 3.260 -1.038 -3.466) 4.870 2.685 ( 2.721 -6.677 -3.324) 7.939 2.914 ( 0.920 2.132 -0.218) 2.332 2.967 ( 2.487 -3.301 -2.656) 4.913 3.371 ( -0.904 4.205 0.087) 4.301 3.434 ( 0.704 -1.652 -0.758) 1.949 3.557 ( -1.188 1.429 -2.236) 2.907 3.604 ( 0.611 -2.786 -2.730) 3.948 4.011 ( -3.472 5.320 1.926) 6.638 4.086 ( -2.510 -2.228 1.545) 3.694 4.278 ( -4.805 7.685 4.196) 9.988 4.302 ( 0.179 4.899 2.843) 5.667 4.416 ( 1.866 -0.175 -2.775) 3.349 4.450 ( 1.126 -3.370 -1.154) 3.736 6.490 ( -4.571 1.474 -0.092) 4.804 6.520 ( -2.583 -1.658 1.896) 3.608 6.622 ( 0.727 5.416 2.943) 6.206 6.696 ( 4.918 -0.465 3.979) 6.343 6.834 ( -1.478 2.039 2.405) 3.482 6.908 ( 1.286 -4.048 0.210) 4.253 7.033 ( 1.439 3.449 -3.551) 5.155 7.095 ( 2.621 -2.628 -3.592) 5.165 7.352 ( -2.737 2.563 6.787) 7.754 7.377 ( -3.070 0.188 5.419) 6.231 7.559 ( 1.758 3.917 -3.130) 5.313 7.600 ( 2.233 -0.080 -3.716) 4.335 7.845 ( -4.560 5.961 -1.333) 7.623 7.942 ( -4.037 -2.063 -5.948) 7.479 8.074 ( 5.986 1.384 2.598) 6.671 8.148 ( 7.266 -4.742 4.691) 9.863 8.408 ( -0.604 0.372 4.720) 4.773 8.454 ( 0.120 -4.181 3.336) 5.351 8.646 ( -1.896 0.645 -4.740) 5.146 8.669 ( -1.747 -1.880 -3.687) 4.492 8.833 ( -1.111 1.227 1.345) 2.133 8.865 ( -0.990 -1.759 1.238) 2.368 9.137 ( 2.787 0.178 -4.175) 5.023 9.165 ( 3.423 -2.233 -4.351) 5.970 ======================= Grid point 205 (115/116) ======================= q-point: (-0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -0.863 9.421 5.549) 10.967 1.916 ( 0.844 2.914 0.172) 3.039 2.018 ( 3.727 -0.574 2.706) 4.642 2.051 ( 1.411 0.061 -0.307) 1.446 2.197 ( -2.714 -1.061 2.494) 3.836 2.214 ( -2.827 -1.969 1.351) 3.700 2.291 ( 0.044 0.949 6.231) 6.303 2.321 ( 0.105 -3.062 4.712) 5.620 2.583 ( 5.370 0.507 -3.727) 6.556 2.625 ( 1.406 -0.772 -4.709) 4.975 2.680 ( 1.443 -3.347 -3.939) 5.367 2.725 ( 2.351 -7.561 -2.442) 8.286 2.951 ( 2.855 2.218 0.101) 3.617 3.016 ( 2.912 -4.254 -2.040) 5.544 3.360 ( 0.145 3.560 -0.587) 3.611 3.424 ( -1.237 -2.435 -0.938) 2.888 3.560 ( 3.022 3.081 -2.957) 5.232 3.626 ( 2.772 -3.081 -2.939) 5.081 3.949 ( -3.636 5.612 2.627) 7.184 4.027 ( -3.679 -2.436 3.094) 5.389 4.181 ( -5.933 7.822 4.145) 10.656 4.284 ( -3.446 -0.732 2.683) 4.428 4.425 ( 0.600 1.594 -3.934) 4.287 4.468 ( 0.223 -2.110 0.028) 2.121 6.427 ( -1.397 2.500 0.613) 2.929 6.488 ( -0.314 -3.389 0.834) 3.505 6.644 ( -0.424 6.161 6.772) 9.165 6.760 ( -0.960 -4.692 6.377) 7.975 6.852 ( 3.631 5.714 0.911) 6.831 6.947 ( 2.554 -3.792 -0.369) 4.587 7.049 ( 1.044 4.487 -3.583) 5.836 7.131 ( 1.557 -3.493 -2.556) 4.599 7.333 ( -1.035 2.163 7.466) 7.841 7.345 ( -1.621 0.736 5.549) 5.828 7.560 ( -0.808 5.104 -3.675) 6.341 7.610 ( 0.098 0.137 -4.832) 4.835 7.778 ( -1.885 3.569 -1.556) 4.325 7.868 ( -1.460 -3.959 -6.785) 7.990 8.173 ( 2.153 3.198 0.590) 3.900 8.262 ( 2.549 -4.934 1.688) 5.804 8.397 ( -1.473 0.455 3.540) 3.861 8.447 ( -1.560 -4.520 3.096) 5.696 8.617 ( 0.597 0.321 -4.120) 4.175 8.633 ( 0.222 -1.239 -3.670) 3.880 8.841 ( 1.436 0.953 2.443) 2.989 8.867 ( 0.960 -1.643 2.923) 3.488 9.175 ( 1.975 1.568 -4.549) 5.201 9.214 ( 2.395 -2.228 -4.056) 5.211 ======================= Grid point 206 (116/116) ======================= q-point: (-0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 1.227 8.767 4.602) 9.977 1.925 ( 0.262 3.038 0.691) 3.127 2.037 ( -1.678 6.582 3.780) 7.773 2.102 ( 3.267 -0.284 0.918) 3.406 2.176 ( -1.289 -3.649 1.574) 4.178 2.180 ( 0.079 -2.769 -1.437) 3.121 2.319 ( 1.484 1.751 6.841) 7.216 2.376 ( 3.655 -4.332 5.377) 7.812 2.603 ( -0.187 1.216 -6.744) 6.855 2.657 ( 0.986 -3.839 -2.558) 4.717 2.675 ( -0.514 -0.811 -4.008) 4.122 2.736 ( -0.287 -5.504 -3.335) 6.443 3.009 ( 2.352 0.851 -0.196) 2.509 3.047 ( 0.457 -2.678 -1.368) 3.042 3.400 ( 4.080 1.901 -0.780) 4.568 3.434 ( 3.642 -1.456 -1.513) 4.204 3.622 ( 1.503 3.274 -1.827) 4.039 3.665 ( 0.389 -0.891 -2.154) 2.363 3.899 ( -0.557 6.260 3.609) 7.247 3.986 ( -0.364 -2.337 3.666) 4.363 4.079 ( -5.317 4.516 2.479) 7.403 4.183 ( -7.192 -4.730 2.643) 9.004 4.426 ( 0.100 1.883 -1.520) 2.422 4.455 ( -1.203 -0.762 -0.485) 1.504 6.438 ( 1.763 3.685 2.290) 4.683 6.507 ( 1.192 -1.629 0.871) 2.198 6.650 ( -0.033 2.727 7.069) 7.577 6.738 ( -1.931 -3.998 5.367) 6.965 6.927 ( 3.270 3.551 -1.199) 4.974 6.988 ( 1.391 -1.296 -3.594) 4.066 7.063 ( 1.404 3.427 1.319) 3.931 7.140 ( -0.146 -3.323 0.409) 3.351 7.329 ( -1.151 1.329 4.062) 4.426 7.339 ( -0.823 0.299 4.449) 4.534 7.536 ( -0.310 5.857 -1.379) 6.025 7.587 ( -0.992 0.372 -4.570) 4.691 7.750 ( -0.735 4.204 -2.296) 4.847 7.841 ( -0.016 -3.507 -7.076) 7.898 8.157 ( -2.511 1.876 -0.986) 3.286 8.243 ( -3.143 -5.713 -2.778) 7.088 8.389 ( -0.538 0.063 5.648) 5.673 8.433 ( -0.783 -4.277 5.076) 6.684 8.628 ( 1.164 0.372 -5.598) 5.730 8.648 ( 1.332 -1.470 -5.027) 5.404 8.900 ( 3.416 1.378 4.684) 5.959 8.926 ( 3.937 -1.126 4.338) 5.965 9.186 ( 0.340 2.249 -4.645) 5.172 9.229 ( 0.163 -1.977 -4.531) 4.946 =================== 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 3/18816 10.0 1185.653 1087.747 739.421 0.000 107.731 0.000 3/18816 20.0 114.858 128.767 88.647 0.000 5.032 0.000 3/18816 30.0 37.819 46.448 32.528 0.000 0.472 0.000 3/18816 40.0 20.712 26.758 18.901 0.000 -0.022 0.000 3/18816 50.0 13.924 18.448 13.109 0.000 -0.104 0.000 3/18816 60.0 10.339 13.862 9.920 0.000 -0.110 0.000 3/18816 70.0 8.150 10.989 7.927 0.000 -0.098 0.000 3/18816 80.0 6.693 9.051 6.585 0.000 -0.085 0.000 3/18816 90.0 5.666 7.673 5.629 0.000 -0.073 0.000 3/18816 100.0 4.909 6.653 4.920 0.000 -0.063 0.000 3/18816 110.0 4.331 5.872 4.374 0.000 -0.054 0.000 3/18816 120.0 3.876 5.257 3.941 0.000 -0.047 0.000 3/18816 130.0 3.509 4.760 3.590 0.000 -0.042 0.000 3/18816 140.0 3.208 4.352 3.299 0.000 -0.037 0.000 3/18816 150.0 2.956 4.010 3.054 0.000 -0.033 0.000 3/18816 160.0 2.741 3.720 2.845 0.000 -0.030 0.000 3/18816 170.0 2.557 3.470 2.663 0.000 -0.027 0.000 3/18816 180.0 2.397 3.253 2.505 0.000 -0.025 0.000 3/18816 190.0 2.256 3.062 2.365 0.000 -0.023 0.000 3/18816 200.0 2.132 2.893 2.240 0.000 -0.021 0.000 3/18816 210.0 2.021 2.743 2.128 0.000 -0.020 0.000 3/18816 220.0 1.921 2.607 2.028 0.000 -0.018 0.000 3/18816 230.0 1.831 2.485 1.936 0.000 -0.017 0.000 3/18816 240.0 1.749 2.374 1.853 0.000 -0.016 0.000 3/18816 250.0 1.675 2.273 1.777 0.000 -0.015 0.000 3/18816 260.0 1.606 2.181 1.707 0.000 -0.014 0.000 3/18816 270.0 1.544 2.095 1.642 0.000 -0.014 0.000 3/18816 280.0 1.486 2.017 1.582 0.000 -0.013 0.000 3/18816 290.0 1.432 1.944 1.527 0.000 -0.012 0.000 3/18816 300.0 1.382 1.876 1.475 0.000 -0.012 0.000 3/18816 310.0 1.336 1.813 1.427 0.000 -0.011 0.000 3/18816 320.0 1.292 1.754 1.382 0.000 -0.011 0.000 3/18816 330.0 1.252 1.699 1.339 0.000 -0.010 0.000 3/18816 340.0 1.214 1.648 1.299 0.000 -0.010 0.000 3/18816 350.0 1.178 1.599 1.262 0.000 -0.010 0.000 3/18816 360.0 1.144 1.553 1.227 0.000 -0.009 0.000 3/18816 370.0 1.112 1.510 1.193 0.000 -0.009 0.000 3/18816 380.0 1.082 1.470 1.162 0.000 -0.009 0.000 3/18816 390.0 1.054 1.431 1.132 0.000 -0.008 0.000 3/18816 400.0 1.027 1.394 1.103 0.000 -0.008 0.000 3/18816 410.0 1.001 1.360 1.076 0.000 -0.008 0.000 3/18816 420.0 0.977 1.327 1.050 0.000 -0.008 0.000 3/18816 430.0 0.954 1.295 1.026 0.000 -0.007 0.000 3/18816 440.0 0.932 1.265 1.002 0.000 -0.007 0.000 3/18816 450.0 0.911 1.237 0.980 0.000 -0.007 0.000 3/18816 460.0 0.891 1.209 0.959 0.000 -0.007 0.000 3/18816 470.0 0.871 1.183 0.938 0.000 -0.007 0.000 3/18816 480.0 0.853 1.158 0.919 0.000 -0.007 0.000 3/18816 490.0 0.835 1.134 0.900 0.000 -0.006 0.000 3/18816 500.0 0.818 1.111 0.882 0.000 -0.006 0.000 3/18816 510.0 0.802 1.089 0.865 0.000 -0.006 0.000 3/18816 520.0 0.786 1.068 0.848 0.000 -0.006 0.000 3/18816 530.0 0.771 1.047 0.832 0.000 -0.006 0.000 3/18816 540.0 0.757 1.028 0.816 0.000 -0.006 0.000 3/18816 550.0 0.743 1.009 0.802 0.000 -0.006 0.000 3/18816 560.0 0.730 0.991 0.787 0.000 -0.005 0.000 3/18816 570.0 0.717 0.973 0.773 0.000 -0.005 0.000 3/18816 580.0 0.704 0.956 0.760 0.000 -0.005 0.000 3/18816 590.0 0.692 0.940 0.747 0.000 -0.005 0.000 3/18816 600.0 0.680 0.924 0.735 0.000 -0.005 0.000 3/18816 610.0 0.669 0.909 0.723 0.000 -0.005 0.000 3/18816 620.0 0.658 0.894 0.711 0.000 -0.005 0.000 3/18816 630.0 0.648 0.880 0.700 0.000 -0.005 0.000 3/18816 640.0 0.638 0.866 0.689 0.000 -0.005 0.000 3/18816 650.0 0.628 0.852 0.678 0.000 -0.005 0.000 3/18816 660.0 0.618 0.839 0.668 0.000 -0.005 0.000 3/18816 670.0 0.609 0.827 0.658 0.000 -0.004 0.000 3/18816 680.0 0.600 0.815 0.648 0.000 -0.004 0.000 3/18816 690.0 0.591 0.803 0.639 0.000 -0.004 0.000 3/18816 700.0 0.583 0.791 0.630 0.000 -0.004 0.000 3/18816 710.0 0.574 0.780 0.621 0.000 -0.004 0.000 3/18816 720.0 0.566 0.769 0.612 0.000 -0.004 0.000 3/18816 730.0 0.559 0.759 0.604 0.000 -0.004 0.000 3/18816 740.0 0.551 0.748 0.596 0.000 -0.004 0.000 3/18816 750.0 0.544 0.738 0.588 0.000 -0.004 0.000 3/18816 760.0 0.536 0.728 0.580 0.000 -0.004 0.000 3/18816 770.0 0.529 0.719 0.573 0.000 -0.004 0.000 3/18816 780.0 0.523 0.710 0.565 0.000 -0.004 0.000 3/18816 790.0 0.516 0.701 0.558 0.000 -0.004 0.000 3/18816 800.0 0.509 0.692 0.551 0.000 -0.004 0.000 3/18816 810.0 0.503 0.683 0.544 0.000 -0.004 0.000 3/18816 820.0 0.497 0.675 0.538 0.000 -0.004 0.000 3/18816 830.0 0.491 0.667 0.531 0.000 -0.004 0.000 3/18816 840.0 0.485 0.659 0.525 0.000 -0.004 0.000 3/18816 850.0 0.479 0.651 0.519 0.000 -0.003 0.000 3/18816 860.0 0.474 0.643 0.513 0.000 -0.003 0.000 3/18816 870.0 0.468 0.636 0.507 0.000 -0.003 0.000 3/18816 880.0 0.463 0.629 0.501 0.000 -0.003 0.000 3/18816 890.0 0.458 0.622 0.496 0.000 -0.003 0.000 3/18816 900.0 0.453 0.615 0.490 0.000 -0.003 0.000 3/18816 910.0 0.448 0.608 0.485 0.000 -0.003 0.000 3/18816 920.0 0.443 0.601 0.479 0.000 -0.003 0.000 3/18816 930.0 0.438 0.595 0.474 0.000 -0.003 0.000 3/18816 940.0 0.433 0.589 0.469 0.000 -0.003 0.000 3/18816 950.0 0.429 0.582 0.464 0.000 -0.003 0.000 3/18816 960.0 0.424 0.576 0.459 0.000 -0.003 0.000 3/18816 970.0 0.420 0.570 0.455 0.000 -0.003 0.000 3/18816 980.0 0.416 0.564 0.450 0.000 -0.003 0.000 3/18816 990.0 0.411 0.559 0.446 0.000 -0.003 0.000 3/18816 1000.0 0.407 0.553 0.441 0.000 -0.003 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m877.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:21:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|